NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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24745 |
2k4h   |
16888 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
############################### # See DIF statements for differences between myrMA and myr(-)MA ############################## # Strong Medium Weak # NOEs 2.7 3.3 5.0 # The following adjustments are made AUTOMATICALLY to Q-containing # psequdoatom names with CYANA: # Methyl(CH3) add 0.5/methyl 3.2 3.8 5.5 # Methylene(CH2) add 0.8 3.5 4.1 5.8 # Pseduomethyls (2 -CH3) add 1.5 4.2 4.8 6.5 # Aromatic qr add 2.3 5 5.6 7.3 # Degenerate NOEs are additive. #========================================= # Helix I (residues 9-18) #========================================= # NH(i)-NH(i+1) 10 GLY H 11 LYS H 2.9 1.00E+00 #good for hiv2myrma 11 LYS H 12 LYS H 2.9 1.00E+00 #good for hiv2myrma 12 LYS H 13 ALA H 2.9 1.00E+00 #good for hiv2myrma 13 ALA H 14 ASP H 2.9 1.00E+00 #good for hiv2myrma 14 ASP H 15 GLU H 2.9 1.00E+00 #good for hiv2myrma 15 GLU H 16 LEU H 2.9 1.00E+00 #good for hiv2myrma 16 LEU H 17 GLU H 2.9 1.00E+00 #good for hiv2myrma 17 GLU H 18 ARG H 2.9 1.00E+00 #good for hiv2myrma 18 ARG H 19 ILE H 2.9 1.00E+00 #good for hiv2myrma # NH(i)-NH(i+2) 10 GLY H 12 LYS H 5.0 1.00E+00 #good for hiv2ma 11 LYS H 13 ALA H 5.0 1.00E+00 #good for hiv2ma 12 LYS H 14 ASP H 5.0 1.00E+00 #good for hiv2ma 13 ALA H 15 GLU H 5.0 1.00E+00 #good for hiv2ma 14 ASP H 16 LEU H 5.0 1.00E+00 #good for hiv2ma 15 GLU H 17 GLU H 5.0 1.00E+00 #good for hiv2ma 17 GLU H 19 ILE H 5.0 1.00E+00 #good for hiv2ma # NH(i)-NH(i+3) 9 ARG H 12 LYS H 5.0 1.00E+00 #good for hiv2ma 13 ALA H 16 LEU H 5.0 1.00E+00 #good for hiv2ma 14 ASP H 17 GLU H 5.0 1.00E+00 #good for hiv2ma 16 LEU H 19 ILE H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+1) 9 ARG HA 10 GLY H 2.7 1.00E+00 #good for hiv2myrma 10 GLY HA3 11 LYS H 2.7 1.00E+00 #good for hiv2myrma # aH(i)-NH(i+2) 13 ALA HA 15 GLU H 5.0 1.00E+00 #good for hiv2ma 14 ASP HA 16 LEU H 5.0 1.00E+00 #good for hiv2ma 15 GLU HA 17 GLU H 5.0 1.00E+00 #good for hiv2ma 16 LEU HA 18 ARG H 5.0 1.00E+00 #good for hiv2ma 17 GLU HA 19 ILE H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+3) 10 GLY HA2 13 ALA H 5.0 1.00E+00 #good for hiv2ma 11 LYS HA 14 ASP H 5.0 1.00E+00 #good for hiv2ma 12 LYS HA 15 GLU H 5.0 1.00E+00 #good for hiv2ma (overlap with 15-HA) 13 ALA HA 16 LEU H 5.0 1.00E+00 #good for hiv2ma 14 ASP HA 17 GLU H 5.0 1.00E+00 #good for hiv2ma 15 GLU HA 18 ARG H 5.0 1.00E+00 #good for hiv2ma 16 LEU HA 19 ILE H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+4) 9 ARG HA 13 ALA H 5.0 1.00E+00 #good for hiv2ma 10 GLY HA2 14 ASP H 5.0 1.00E+00 #good for hiv2ma 12 LYS HA 16 LEU H 5.0 1.00E+00 #good for hiv2ma # aH(i)-bH(i+3) 10 GLY HA2 13 ALA QB 3.3 1.00E+00 #good for hiv2ma 11 LYS HA 14 ASP QB 3.3 1.00E+00 #good for hiv2ma 12 LYS HA 15 GLU QB 3.3 1.00E+00 #good for hiv2ma 13 ALA HA 16 LEU HB2 3.3 1.00E+00 #good for hiv2ma 13 ALA HA 16 LEU HB3 3.3 1.00E+00 #good for hiv2ma 14 ASP HA 17 GLU QB 3.3 1.00E+00 #good for hiv2ma #================================ # ---- ANTI-PARALLEL BETA --- #================================ #Sequential NOEs 19 ILE HA 20 ARG H 2.7 1.00E+00 #good for hiv2ma 20 ARG HA 21 LEU H 2.7 1.00E+00 #good for hiv2ma 21 LEU H 22 ARG H 2.7 1.00E+00 #good for hiv2ma 24 GLY H 25 GLY H 3.3 1.00E+00 #overlap Hs 25 GLY HA2 26 LYS H 2.7 1.00E+00 #good for hiv2ma 25 GLY HA3 26 LYS H 2.7 1.00E+00 #good for hiv2ma 26 LYS H 27 LYS H 2.7 1.00E+00 #good for hiv2ma 27 LYS HA 28 LYS H 2.7 1.00E+00 #good for hiv2ma 28 LYS HA 29 TYR H 2.7 1.00E+00 #good for hiv2ma 29 TYR HA 30 ARG H 2.7 1.00E+00 #good for hiv2ma # aH(i)-aH(j) 17 GLU HA 30 ARG HA 5.0 1.00E+00 #good for hiv2ma 20 ARG HA 28 LYS HA 2.7 1.00E+00 #good for hiv2ma 20 ARG QB 28 LYS HA 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(j) 17 GLU HA 29 TYR H 5.0 1.00E+00 #good for hiv2ma 20 ARG HA 29 TYR H 5.0 1.00E+00 #good for hiv2ma 21 LEU H 28 LYS HA 3.3 1.00E+00 #good for hiv2ma 22 ARG H 25 GLY HA3 5.0 1.00E+00 #good for hiv2ma 23 PRO HA 25 GLY H 5.0 1.00E+00 #good for hiv2ma # NH(i)-NH(j) 19 ILE H 29 TYR H 5.0 1.00E+00 #good for hiv2ma 20 ARG H 97 THR H 5.0 1.00E+00 #good for hiv2ma 21 LEU H 27 LYS H 5.0 1.00E+00 #overlap 22 ARG H 25 GLY H 5.0 1.00E+00 #good for hiv2ma #=============================== # Helix II (residues 30-45) #=============================== # Sequential NH(i)-NH(i+1) NOEs 30 ARG H 31 LEU H 5.0 1.00E+00 #good for hiv2ma 31 LEU H 32 LYS H 2.9 1.00E+00 #overlap in hiv2ma 32 LYS H 33 HISB H 2.9 1.00E+00 #good for hiv2ma 33 HISB H 34 ILE H 2.9 1.00E+00 #good for hiv2ma 34 ILE H 35 VAL H 2.9 1.00E+00 #good for hiv2ma 35 VAL H 36 TRP H 2.9 1.00E+00 #good for hiv2ma 36 TRP H 37 ALA H 2.9 1.00E+00 #good for hiv2ma 37 ALA H 38 ALA H 2.9 1.00E+00 #good for hiv2ma 38 ALA H 39 ASN H 2.9 1.00E+00 #good for hiv2ma 39 ASN H 40 LYS H 2.9 1.00E+00 #good for hiv2ma 40 LYS H 41 LEU H 2.9 1.00E+00 #good for hiv2ma 41 LEU H 42 ASP H 2.9 1.00E+00 #good for hiv2ma 42 ASP H 43 ARG H 2.9 1.00E+00 #good for hiv2ma 43 ARG H 44 PHE H 2.9 1.00E+00 #good for hiv2ma 44 PHE H 45 GLY H 2.9 1.00E+00 #good for hiv2ma 45 GLY H 46 LEU H 2.9 1.00E+00 #good for hiv2ma # NH(i)-NH(i+2) 31 LEU H 33 HISB H 5.0 1.00E+00 #good for hiv2ma 32 LYS H 34 ILE H 5.0 1.00E+00 #good for hiv2ma 33 HISB H 35 VAL H 5.0 1.00E+00 #good for hiv2ma 34 ILE H 36 TRP H 5.0 1.00E+00 #good for hiv2ma 35 VAL H 37 ALA H 5.0 1.00E+00 #good for hiv2ma 36 TRP H 38 ALA H 5.0 1.00E+00 #good for hiv2ma 37 ALA H 39 ASN H 5.0 1.00E+00 #good for hiv2ma 38 ALA H 40 LYS H 5.0 1.00E+00 #good for hiv2ma 39 ASN H 41 LEU H 5.0 1.00E+00 #good for hiv2ma 40 LYS H 42 ASP H 5.0 1.00E+00 #good for hiv2ma 41 LEU H 43 ARG H 5.0 1.00E+00 #good for hiv2ma 42 ASP H 44 PHE H 5.0 1.00E+00 #good for hiv2ma 43 ARG H 45 GLY H 5.0 1.00E+00 #good for hiv2ma 44 PHE H 46 LEU H 5.0 1.00E+00 #good for hiv2ma # NH(i)-NH(i+3) 30 ARG H 33 HISB H 5.0 1.00E+00 #good for hiv2ma 31 LEU H 34 ILE H 5.0 1.00E+00 #good for hiv2ma 32 LYS H 35 VAL H 5.0 1.00E+00 #good for hiv2ma 35 VAL H 38 ALA H 5.0 1.00E+00 #good for hiv2ma 36 TRP H 39 ASN H 5.0 1.00E+00 #good for hiv2ma 37 ALA H 40 LYS H 5.0 1.00E+00 #good for hiv2ma 38 ALA H 41 LEU H 5.0 1.00E+00 #good for hiv2ma 40 LYS H 43 ARG H 5.0 1.00E+00 #good for hiv2ma #41 LEU H 44 PHE H 5.0 1.00E+00 #overlap # aH(i)-NH(i+1) 30 ARG HA 31 LEU H 2.7 1.00E+00 #good for hiv2ma # aH(i)-NH(i+2) 38 ALA HA 40 LYS H 5.0 1.00E+00 #good for hiv2ma 39 ASN HA 41 LEU H 5.0 1.00E+00 #good for hiv2ma 43 ARG HA 45 GLY H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+3) 31 LEU HA 34 ILE H 5.0 1.00E+00 #good for hiv2ma 32 LYS HA 35 VAL H 5.0 1.00E+00 #good for hiv2ma 33 HISB HA 36 TRP H 5.0 1.00E+00 #good for hiv2ma 34 ILE HA 37 ALA H 5.0 1.00E+00 #good for hiv2ma 35 VAL HA 38 ALA H 5.0 1.00E+00 #good for hiv2ma 36 TRP HA 39 ASN H 5.0 1.00E+00 #good for hiv2ma 37 ALA HA 40 LYS H 5.0 1.00E+00 #good for hiv2ma 38 ALA HA 41 LEU H 5.0 1.00E+00 #good for hiv2ma 39 ASN HA 42 ASP H 5.0 1.00E+00 #good for hiv2ma 40 LYS HA 43 ARG H 5.0 1.00E+00 #good for hiv2ma 41 LEU HA 44 PHE H 5.0 1.00E+00 #good for hiv2ma 42 ASP HA 45 GLY H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+4) 32 LYS HA 36 TRP H 5.0 1.00E+00 #good for hiv2ma 33 HISB HA 37 ALA H 5.0 1.00E+00 #good for hiv2ma # aH(i)-bH(i+3) 31 LEU HA 34 ILE HB 3.3 1.00E+00 #good for hiv2ma 32 LYS HA 35 VAL HB 3.3 1.00E+00 #good for hiv2ma 33 HISB HA 36 TRP QB 3.3 1.00E+00 #good for hiv2ma 34 ILE HA 37 ALA QB 3.3 1.00E+00 #good for hiv2ma 35 VAL HA 38 ALA QB 3.3 1.00E+00 #good for hiv2ma 36 TRP HA 39 ASN QB 3.3 1.00E+00 #good for hiv2ma 37 ALA HA 40 LYS QB 3.3 1.00E+00 #good for hiv2ma 38 ALA HA 41 LEU QB 5.0 1.00E+00 #weak in hiv2ma 39 ASN HA 42 ASP QB 3.3 1.00E+00 #good for hiv2ma 40 LYS HA 43 ARG QB 3.3 1.00E+00 #good for hiv2ma 41 LEU HA 44 PHE HB2 5.0 1.00E+00 #good for hiv2ma #===================== # Linker (Helix II-HelixIII) #===================== 42 ASP HA 46 LEU H 5.0 1.00E+00 #good for hiv2ma 45 GLY HA 46 LEU H 3.3 1.00E+00 #good for hiv2ma 46 LEU HA 47 ALA H 2.7 1.00E+00 #good for hiv2ma 47 ALA H 48 GLU H 5.0 1.00E+00 #good for hiv2ma 47 ALA HA 48 GLU H 2.7 1.00E+00 #good for hiv2ma #===================== # Helix III (residues 48-53) #===================== # NH(i)-NH(i+1) 48 GLU H 49 SER H 2.7 1.00E+00 #good for hiv2ma 49 SER H 50 LEU H 2.7 1.00E+00 #good for hiv2ma 50 LEU H 51 LEU H 2.7 1.00E+00 #good for hiv2ma 51 LEU H 52 GLU H 2.7 1.00E+00 #good for hiv2ma 52 GLU H 53 SER H 2.7 1.00E+00 #good for hiv2ma # NH(i)-NH(i+2) 49 SER H 51 LEU H 5.0 1.00E+00 #good for hiv2ma 50 LEU H 52 GLU H 5.0 1.00E+00 #good for hiv2ma 51 LEU H 53 SER H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+1) 52 GLU HA 53 SER H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+2) 48 GLU HA 50 LEU H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+3) 50 LEU HA 53 SER H 5.0 1.00E+00 #good for hiv2ma # aH(i)-bH(i+3) #============================ # Helix IV (residues 53-65) #============================ # NH(i)-NH(i+1) 54 LYS H 55 GLU H 2.9 1.00E+00 #good for hiv2ma 55 GLU H 56 GLY H 2.9 1.00E+00 #good for hiv2ma 56 GLY H 57 CYS H 2.9 1.00E+00 #good for hiv2ma 57 CYS H 58 GLN H 2.9 1.00E+00 #good for hiv2ma 58 GLN H 59 LYS H 2.9 1.00E+00 #good for hiv2ma 59 LYS H 60 ILE H 2.9 1.00E+00 #good for hiv2ma 60 ILE H 61 LEU H 2.9 1.00E+00 #good for hiv2ma 61 LEU H 62 THR H 2.9 1.00E+00 #good for hiv2ma 62 THR H 63 VAL H 2.9 1.00E+00 #good for hiv2ma 63 VAL H 64 LEU H 2.9 1.00E+00 #good for hiv2ma 64 LEU H 65 ASP H 2.9 1.00E+00 #good for hiv2ma # NH(i)-NH(i+2) 54 LYS H 56 GLY H 5.0 1.00E+00 #good for hiv2ma 55 GLU H 57 CYS H 5.0 1.00E+00 #good for hiv2ma 56 GLY H 58 GLN H 5.0 1.00E+00 #good for hiv2ma 57 CYS H 59 LYS H 5.0 1.00E+00 #good for hiv2ma 58 GLN H 60 ILE H 5.0 1.00E+00 #good for hiv2ma 59 LYS H 61 LEU H 5.0 1.00E+00 #good for hiv2ma 60 ILE H 62 THR H 5.0 1.00E+00 #good for hiv2ma 61 LEU H 63 VAL H 5.0 1.00E+00 #good for hiv2ma 62 THR H 64 LEU H 5.0 1.00E+00 #good for hiv2ma 63 VAL H 65 ASP H 5.0 1.00E+00 #good for hiv2ma # NH(i)-NH(i+3) 53 SER H 56 GLY H 5.0 1.00E+00 #good for hiv2ma # NH(i)-NH(i+4) 53 SER H 57 CYS H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+1) 53 SER HA 54 LYS H 2.7 1.00E+00 #Helix Cap (good for hiv2ma) # aH(i)-NH(i+3) 53 SER HA 56 GLY H 5.0 1.00E+00 #good for hiv2ma 54 LYS HA 57 CYS H 5.0 1.00E+00 #good for hiv2ma 55 GLU HA 58 GLN H 5.0 1.00E+00 #good for hiv2ma 56 GLY HA2 59 LYS H 5.0 1.00E+00 #good for hiv2ma 57 CYS HA 60 ILE H 5.0 1.00E+00 #good for hiv2ma 58 GLN HA 61 LEU H 5.0 1.00E+00 #good for hiv2ma 59 LYS HA 62 THR H 5.0 1.00E+00 #good for hiv2ma 60 ILE HA 63 VAL H 5.0 1.00E+00 #good for hiv2ma 61 LEU HA 64 LEU H 5.0 1.00E+00 #good for hiv2ma 62 THR HA 65 ASP H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+4) 58 GLN HA 62 THR H 5.0 1.00E+00 #good for hiv2ma 59 LYS HA 63 VAL H 5.0 1.00E+00 #good for hiv2ma # aH(i)-bH(i+3) 55 GLU HA 58 GLN QB 3.3 1.00E+00 #good for hiv2ma 56 GLY HA2 59 LYS QB 3.3 1.00E+00 #good for hiv2ma 57 CYS HA 60 ILE HB 5.0 1.00E+00 #good for hiv2ma 58 GLN HA 61 LEU HB3 5.0 1.00E+00 #good for hiv2ma 60 ILE HA 63 VAL HB 3.3 1.00E+00 #good for hiv2ma 61 LEU HA 64 LEU HB3 5.0 1.00E+00 #good for hiv2ma 62 THR HA 65 ASP HB2 5.0 1.00E+00 #good for hiv2ma #===================== # Helix V (3-10 Helix, residues 66-71) #===================== # NH(i)-NH(i+1) 67 MET H 68 VAL H 2.9 1.00E+00 #good for hiv2ma 70 THR H 71 GLY H 2.9 1.00E+00 #good for hiv2ma # NH(i)-NH(i+2) 68 VAL H 70 THR H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+1) 71 GLY HA2 72 SER H 2.7 1.00E+00 #good for hiv2ma 71 GLY HA3 72 SER H 3.3 1.00E+00 #good for hiv2ma # aH(i)-NH(i+2) 65 ASP HA 67 MET H 5.0 1.00E+00 #good for hiv2ma 66 PRO HA 68 VAL H 5.0 1.00E+00 #good for hiv2ma 68 VAL HA 70 THR H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+3) 64 LEU HA 67 MET H 5.0 1.00E+00 #good for hiv2ma 65 ASP HA 68 VAL H 5.0 1.00E+00 #good for hiv2ma 67 MET HA 70 THR H 5.0 1.00E+00 #good for hiv2ma 68 VAL HA 71 GLY H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+4) 67 MET HA 71 GLY H 5.0 1.00E+00 #good for hiv2ma # aH(i)-bH(i+3) #================================ # Helix VI (residues 72-91) #================================ # NH(i)-NH(i+1) 73 GLU H 74 ASN H 2.9 1.00E+00 #good for hiv2ma 74 ASN H 75 LEU H 2.9 1.00E+00 #good for hiv2ma 75 LEU H 76 LYS H 2.9 1.00E+00 #good for hiv2ma 76 LYS H 77 SER H 2.9 1.00E+00 #good for hiv2ma 77 SER H 78 LEU H 2.9 1.00E+00 #good for hiv2ma 78 LEU H 79 PHE H 2.9 1.00E+00 #good for hiv2ma 79 PHE H 80 ASN H 2.9 1.00E+00 #good for hiv2ma 80 ASN H 81 THR H 2.9 1.00E+00 #good for hiv2ma 81 THR H 82 VAL H 2.9 1.00E+00 #good for hiv2ma 82 VAL H 83 CYS H 2.9 1.00E+00 #good for hiv2ma 83 CYS H 84 VAL H 2.9 1.00E+00 #good for hiv2ma 84 VAL H 85 ILE H 2.9 1.00E+00 #good for hiv2ma 85 ILE H 86 TRP H 2.9 1.00E+00 #good for hiv2ma 86 TRP H 87 CYS H 2.9 1.00E+00 #good for hiv2ma 87 CYS H 88 ILE H 2.9 1.00E+00 #good for hiv2ma 88 ILE H 89 HISB H 2.9 1.00E+00 #good for hiv2ma 89 HISB H 90 ALA H 2.9 1.00E+00 #good for hiv2ma 90 ALA H 91 GLU H 2.9 1.00E+00 #good for hiv2ma # NH(i)-NH(i+2) #74 ASN H 76 LYS H 5.0 1.00E+00 #74-HN is not observed 75 LEU H 77 SER H 5.0 1.00E+00 #good for hiv2ma 76 LYS H 78 LEU H 5.0 1.00E+00 #good for hiv2ma 77 SER H 79 PHE H 5.0 1.00E+00 #good for hiv2ma 78 LEU H 80 ASN H 5.0 1.00E+00 #good for hiv2ma 79 PHE H 81 THR H 5.0 1.00E+00 #good for hiv2ma 80 ASN H 82 VAL H 5.0 1.00E+00 #good for hiv2ma 81 THR H 83 CYS H 5.0 1.00E+00 #good for hiv2ma 82 VAL H 84 VAL H 5.0 1.00E+00 #good for hiv2ma 83 CYS H 85 ILE H 5.0 1.00E+00 #good for hiv2ma 84 VAL H 86 TRP H 5.0 1.00E+00 #good for hiv2ma 85 ILE H 87 CYS H 5.0 1.00E+00 #good for hiv2ma 86 TRP H 88 ILE H 5.0 1.00E+00 #good for hiv2ma 87 CYS H 89 HISB H 5.0 1.00E+00 #good for hiv2ma 88 ILE H 90 ALA H 5.0 1.00E+00 #good for hiv2ma 89 HISB H 91 GLU H 5.0 1.00E+00 #good for hiv2ma 90 ALA H 92 GLU H 5.0 1.00E+00 #good for hiv2ma # NH(i)-NH(i+3) 72 SER H 75 LEU H 5.0 1.00E+00 #good for hiv2ma 73 GLU H 76 LYS H 5.0 1.00E+00 #good for hiv2ma 75 LEU H 78 LEU H 5.0 1.00E+00 #good for hiv2ma 76 LYS H 79 PHE H 5.0 1.00E+00 #good for hiv2ma 77 SER H 80 ASN H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+1) 72 SER HA 73 GLU H 2.7 1.00E+00 #good for hiv2ma # bH(i)-NH(i+2) 72 SER HB2 74 ASN H 5.0 1.00E+00 #74-H is not observed # aH(i)-NH(i+3) 73 GLU HA 76 LYS H 5.0 1.00E+00 #good for hiv2ma 74 ASN HA 77 SER H 5.0 1.00E+00 #good for hiv2ma 75 LEU HA 78 LEU H 5.0 1.00E+00 #good for hiv2ma 76 LYS HA 79 PHE H 5.0 1.00E+00 #good for hiv2ma 77 SER HA 80 ASN H 5.0 1.00E+00 #good for hiv2ma 78 LEU HA 81 THR H 5.0 1.00E+00 #good for hiv2ma 79 PHE HA 82 VAL H 5.0 1.00E+00 #good for hiv2ma 80 ASN HA 83 CYS H 5.0 1.00E+00 #good for hiv2ma 81 THR HA 84 VAL H 5.0 1.00E+00 #good for hiv2ma 82 VAL HA 85 ILE H 5.0 1.00E+00 #good for hiv2ma 83 CYS HA 86 TRP H 5.0 1.00E+00 #good for hiv2ma 84 VAL HA 87 CYS H 5.0 1.00E+00 #good for hiv2ma 85 ILE HA 88 ILE H 5.0 1.00E+00 #good for hiv2ma 86 TRP HA 89 HISB H 5.0 1.00E+00 #good for hiv2ma 87 CYS HA 90 ALA H 5.0 1.00E+00 #good for hiv2ma 88 ILE HA 91 GLU H 5.0 1.00E+00 #good for hiv2ma # aH(i)-NH(i+4) 75 LEU HA 79 PHE H 5.0 1.00E+00 #good for hiv2ma 76 LYS HA 80 ASN H 5.0 1.00E+00 #good for hiv2ma 80 ASN HA 84 VAL H 5.0 1.00E+00 #good for hiv2ma 81 THR HA 85 ILE H 5.0 1.00E+00 #good for hiv2ma 82 VAL HA 86 TRP H 5.0 1.00E+00 #good for hiv2ma 85 ILE HA 89 HISB H 5.0 1.00E+00 #good for hiv2ma 86 TRP HA 90 ALA H 5.0 1.00E+00 #good for hiv2ma # aH(i)-bH(i+3) 73 GLU HA 76 LYS QB 3.3 1.00E+00 #good for hiv2ma 74 ASN HA 77 SER QB 3.3 1.00E+00 #good for hiv2ma 75 LEU HA 78 LEU QB 3.3 1.00E+00 #good for hiv2ma 76 LYS HA 79 PHE QB 3.3 1.00E+00 #good for hiv2ma 77 SER HA 80 ASN QB 3.3 1.00E+00 #good for hiv2ma 78 LEU HA 81 THR HB 3.3 1.00E+00 #good for hiv2ma 79 PHE HA 82 VAL HB 3.3 1.00E+00 #good for hiv2ma 80 ASN HA 83 CYS QB 3.3 1.00E+00 #good for hiv2ma 81 THR HA 84 VAL HB 3.3 1.00E+00 #good for hiv2ma 82 VAL HA 85 ILE HB 3.3 1.00E+00 #good for hiv2ma 83 CYS HA 86 TRP QB 3.3 1.00E+00 #good for hiv2ma 84 VAL HA 87 CYS QB 3.3 1.00E+00 #good for hiv2ma 85 ILE HA 88 ILE HB 3.3 1.00E+00 #good for hiv2ma 86 TRP HA 89 HISB QB 3.3 1.00E+00 #good for hiv2ma 87 CYS HA 90 ALA QB 3.3 1.00E+00 #good for hiv2ma #==================================================== # Linker (93-95) #==================================================== 91 GLU H 92 GLU H 2.7 1.00E+00 #good for hiv2ma 92 GLU HA 93 LYS H 2.7 1.00E+00 #good for hiv2ma 93 LYS HA 94 VAL H 2.7 1.00E+00 #good for hiv2ma 94 VAL HA 95 LYS H 2.7 1.00E+00 #good for hiv2ma 95 LYS H 96 ASP H 2.7 1.00E+00 #good for hiv2ma #=============================================== #Parallel b-sheet #=============================================== # aH(i)-aH(j) 19 ILE HA 95 LYS HA 5.0 1.00E+00 #good for hiv2ma # NH(i)-NH(i+1) 95 LYS H 96 ASP H 2.9 1.00E+00 #good for hiv2ma # aH(i)-NH(i+1) 94 VAL HA 95 LYS H 2.7 1.00E+00 #good for hiv2ma 94 VAL HA 96 ASP H 5.0 1.00E+00 #good for hiv2ma 96 ASP HA 97 THR H 2.7 1.00E+00 #good for hiv2ma # aH(i)-NH(j) 20 ARG H 96 ASP HA 2.7 1.00E+00 #good for hiv2ma 97 THR H 21 LEU HA 5.0 1.00E+00 #good for hiv2ma 97 THR H 23 PRO HD3 5.0 1.00E+00 #good for hiv2ma # NH(i)-NH(j) 20 ARG H 97 THR H 5.0 1.00E+00 #good for hiv2ma 20 ARG H 96 ASP H 5.0 1.00E+00 #good for hiv2ma #============================== # Helix VII (residues 96-122) #============================== # H(i)-H(i+1) 97 THR H 98 GLU H 2.9 1.00E+00 #good for hiv2ma 98 GLU H 99 GLY H 2.9 1.00E+00 #good for hiv2ma 99 GLY H 100 ALA H 2.9 1.00E+00 #good for hiv2ma 100 ALA H 101 LYS H 2.9 1.00E+00 #good for hiv2ma 101 LYS H 102 GLN H 2.9 1.00E+00 #good for hiv2ma 102 GLN H 103 ILE H 2.9 1.00E+00 #good for hiv2ma 103 ILE H 104 VAL H 2.9 1.00E+00 #good for hiv2ma 104 VAL H 105 ARG H 2.9 1.00E+00 #good for hiv2ma 105 ARG H 106 ARG H 2.9 1.00E+00 #good for hiv2ma 106 ARG H 107 HISB H 2.9 1.00E+00 #good for hiv2ma 107 HISB H 108 LEU H 2.9 1.00E+00 #good for hiv2ma 108 LEU H 109 VAL H 2.9 1.00E+00 #good for hiv2ma 109 VAL H 110 ALA H 2.9 1.00E+00 #good for hiv2ma 110 ALA H 111 GLU H 2.9 1.00E+01 #good for hiv2ma 111 GLU H 112 THR H 2.9 1.00E+00 #good for hiv2ma 112 THR H 113 GLY H 2.9 1.00E+00 #good for hiv2ma 113 GLY H 114 THR H 2.9 1.00E+00 #good for hiv2ma 114 THR H 115 ALA H 2.9 1.00E+00 #good for hiv2ma 115 ALA H 116 GLU H 2.9 1.00E+00 #Not assigned for hiv2ma 116 GLU H 117 LYS H 2.9 1.00E+00 #Not assigned for hiv2ma 117 LYS H 118 MET H 2.9 1.00E+00 #Not assigned for hiv2ma # H(i)-H(i+2) 97 THR H 99 GLY H 5.0 1.00E+00 #good for hiv2ma 98 GLU H 100 ALA H 5.0 1.00E+00 #good for hiv2ma 99 GLY H 101 LYS H 5.0 1.00E+00 #good for hiv2ma 100 ALA H 102 GLN H 5.0 1.00E+00 #good for hiv2ma 101 LYS H 103 ILE H 5.0 1.00E+00 #good for hiv2ma 102 GLN H 104 VAL H 5.0 1.00E+00 #good for hiv2ma 103 ILE H 105 ARG H 5.0 1.00E+00 #good for hiv2ma 104 VAL H 106 ARG H 5.0 1.00E+00 #good for hiv2ma 105 ARG H 107 HISB H 5.0 1.00E+00 #good for hiv2ma 106 ARG H 108 LEU H 5.0 1.00E+00 #good for hiv2ma 107 HISB H 109 VAL H 5.0 1.00E+00 #good for hiv2ma 108 LEU H 110 ALA H 5.0 1.00E+00 #good for hiv2ma 109 VAL H 111 GLU H 5.0 1.00E+00 #good for hiv2ma 110 ALA H 112 THR H 5.0 1.00E+00 #good for hiv2ma 111 GLU H 113 GLY H 5.0 1.00E+00 #good for hiv2ma 112 THR H 114 THR H 5.0 1.00E+00 #good for hiv2ma 113 GLY H 115 ALA H 5.0 1.00E+00 #good for hiv2ma 114 THR H 116 GLU H 5.0 1.00E+00 #Not assigned for hiv2ma 115 ALA H 117 LYS H 5.0 1.00E+00 #Not assigned for hiv2ma 116 GLU H 118 MET H 5.0 1.00E+00 #Not assigned for hiv2ma # H(i)-H(i+3) 96 ASP H 99 GLY H 5.0 1.00E+00 #good for hiv2ma 97 THR H 99 GLY H 5.0 1.00E+00 #good for hiv2ma 98 GLU H 101 LYS H 5.0 1.00E+00 #good for hiv2ma 99 GLY H 102 GLN H 5.0 1.00E+00 #good for hiv2ma 100 ALA H 103 ILE H 5.0 1.00E+00 #good for hiv2ma 101 LYS H 104 VAL H 5.0 1.00E+00 #good for hiv2ma 102 GLN H 105 ARG H 5.0 1.00E+00 #good for hiv2ma 103 ILE H 106 ARG H 5.0 1.00E+00 #good for hiv2ma 104 VAL H 107 HISB H 5.0 1.00E+00 #good for hiv2ma 105 ARG H 108 LEU H 5.0 1.00E+00 #good for hiv2ma 106 ARG H 109 VAL H 5.0 1.00E+00 #good for hiv2ma 107 HISB H 110 ALA H 5.0 1.00E+00 #good for hiv2ma 108 LEU H 111 GLU H 5.0 1.00E+00 #good for hiv2ma # H(i)-H(i+4) 96 ASP H 100 ALA H 5.0 1.00E+00 #good for hiv2ma # aN(i)-H(i+3) 97 THR HA 100 ALA H 5.0 1.00E+00 #good for hiv2ma 98 GLU HA 101 LYS H 5.0 1.00E+00 #good for hiv2ma 99 GLY HA 102 GLN H 5.0 1.00E+00 #good for hiv2ma 100 ALA HA 103 ILE H 5.0 1.00E+00 #good for hiv2ma 101 LYS HA 104 VAL H 5.0 1.00E+00 #good for hiv2ma 102 GLN HA 105 ARG H 5.0 1.00E+00 #good for hiv2ma 103 ILE HA 106 ARG H 5.0 1.00E+00 #good for hiv2ma 104 VAL HA 107 HISB H 5.0 1.00E+00 #good for hiv2ma 105 ARG HA 108 LEU H 5.0 1.00E+00 #good for hiv2ma 106 ARG HA 109 VAL H 5.0 1.00E+00 #good for hiv2ma # aN(i)-H(i+4) 98 GLU HA 102 GLN H 5.0 1.00E+00 #good for hiv2ma 101 LYS HA 105 ARG H 5.0 1.00E+00 #good for hiv2ma # aN(i)-bN(i+3) 97 THR HA 100 ALA QB 3.3 1.00E+00 #good for hiv2ma 98 GLU HA 101 LYS QB 3.3 1.00E+00 #good for hiv2ma 99 GLY HA 102 GLN QB 3.3 1.00E+00 #good for hiv2ma 100 ALA HA 103 ILE HB 3.3 1.00E+00 #good for hiv2ma 101 LYS HA 104 VAL HB 3.3 1.00E+00 #good for hiv2ma 102 GLN HA 105 ARG QB 3.3 1.00E+00 #good for hiv2ma 103 ILE HA 106 ARG QB 3.3 1.00E+00 #good for hiv2ma 104 VAL HA 107 HISB QB 3.3 1.00E+00 #good for hiv2ma 105 ARG HA 108 LEU QB 3.3 1.00E+00 #good for hiv2ma 106 ARG HA 109 VAL QB 3.3 1.00E+00 #good for hiv2ma 107 HISB HA 110 ALA QB 3.3 1.00E+00 #good for hiv2ma 108 LEU HA 111 GLU QB 3.3 1.00E+00 #good for hiv2ma 109 VAL HA 112 THR HB 3.3 1.00E+00 #good for hiv2ma 111 GLU HA 114 THR HB 5.0 1.00E-01 #good for hiv2ma 112 THR HA 115 ALA QB 5.0 1.00E-01 #good for hiv2ma ################################################################################# ##======================================== ##DIFS Differences between myr-MA and MA ##======================================== ##MYR 1 1 MYRN Q14 16 LEU QD1 2.7 1.00E+00 #good for hiv2-myrma 1 MYRN Q14 16 LEU QD2 2.7 1.00E+00 #good for hiv2-myrma 1 MYRN Q14 16 LEU HG 5.0 1.00E+00 #good for hiv2-myrma 1 MYRN Q14 34 ILE QG2 3.3 1.00E+00 #good for hiv2-myrma 1 MYRN Q14 34 ILE QD1 3.3 1.00E+00 #good for hiv2-myrma 1 MYRN Q14 85 ILE QD1 3.3 1.00E+00 #good for hiv2-myrma 1 MYRN Q14 85 ILE QG2 3.3 1.00E+00 #good for hiv2-myrma ## Methylene groups 5-11 are degenerate. We chose C8 as the "pseudoatom" ## for these degenerate protons, and added 3.5 A. 1 MYRN C8 7 VAL QG2 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 8 LEU HA 8.5 1.00E+00 #good for hiv2-myrma 1 MYRN C8 8 LEU HG 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 34 ILE QG2 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 34 ILE QB 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 34 ILE QG1 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 38 ALA QB 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 48 GLU HB2 8.5 1.00E+00 #good for hiv2-myrma 1 MYRN C8 35 VAL QG2 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 51 LEU QD1 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 52 GLU HA 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 52 GLU H 6.8 1.00E+00 #good for hiv2-myrma 1 MYRN C8 85 ILE QD1 8.5 1.00E+00 #good for hiv2-myrma 1 MYRN C8 85 ILE QG2 8.5 1.00E+00 #good for hiv2-myrma ##################################################################################### #VAL 7 7 VAL H 7 VAL HB 2.7 1.00E+00 #good for hiv2ma 7 VAL H 8 LEU H 2.7 1.00E+00 #good for hiv2ma 7 VAL HB 8 LEU H 2.7 1.00E+00 #good for hiv2ma 7 VAL HB 34 ILE QG2 5.0 1.00E+00 #Diff weak for myrma #7 VAL HB 34 ILE QD1 5.0 1.00E+00 #Diff not obsvd for myrma 7 VAL QG2 34 ILE QG2 5.0 1.00E+00 #good for hiv2myrma but weaker than MA 7 VAL QG1 34 ILE QG2 5.0 1.00E+00 #good for hiv2myrma but weaker than MA #7 VAL QG1 51 LEU QD1 5.0 1.00E+00 #OVERLAP #7 VAL QG2 51 LEU QD1 5.0 1.00E+00 #OVERLAP #7 VAL HA 52 GLU HA 2.7 1.00E+00 #Diff not obsvd for myrma #7 VAL HA 52 GLU QG 3.3 1.00E+00 #Diff not obsvd for myrma #7 VAL QG1 52 GLU HA 3.3 1.00E+00 #Diff not obsvd for myrma #7 VAL QG1 85 ILE QG1 5.0 1.00E+00 #Diff not obsvd for myrma #7 VAL QG1 85 ILE QG2 5.0 1.00E+00 #OVERLAP #7 VAL QG1 85 ILE QD1 5.0 1.00E+00 #Diff not obsvd for myrma #7 VAL QG1 89 HISB HE1 5.0 1.00E+00 #Diff not obsvd for myrma #LEU 8 8 LEU HA 8 LEU QD2 2.7 1.00E+00 #good for hiv2ma 8 LEU HG 8 LEU H 3.3 1.00E+00 #good for hiv2ma (Defines stereo & orientation) 8 LEU HA 9 ARG H 2.7 1.00E+00 #good for hiv2ma 8 LEU QD2 9 ARG H 3.3 1.00E+00 #good for hiv2ma #8 LEU HB3 13 ALA H 3.3 1.00E+00 #Diff not obsvd for myrma #8 LEU QD1 13 ALA H 5.0 1.00E+00 #very weak for myrma #8 LEU QD1 13 ALA HA 2.7 1.00E+00 #Diff not obsvd for myrma #8 LEU QD2 13 ALA HA 5.0 1.00E+00 #Diff not obsvd for myrma #8 LEU QB 13 ALA QB 5.0 1.00E+00 #Diff not obsvd for myrma #8 LEU QD1 16 LEU H 5.0 1.00E+00 #overlap of 8 and 16-methyls #8 LEU QD2 16 LEU H 5.0 1.00E+00 #overlap of 8 and 16-methyls #8 LEU QD1 16 LEU HG 2.7 1.00E+00 #overlap of 8 and 16-methyls #8 LEU QD1 16 LEU HB2 3.3 1.00E+00 #Diff not obsvd for myrma #8 LEU QD1 16 LEU HB3 3.3 1.00E+00 #Diff not obsvd for myrma #8 LEU HG 34 ILE QD1 3.3 1.00E+00 #Diff not obsvd for myrma #8 LEU QD1 34 ILE QD1 3.3 1.00E+00 #Diff not obsvd for myrma #8 LEU QD2 85 ILE QD1 5.0 1.00E+00 #OVERLAP #8 LEU QD2 89 HISB HE1 2.7 1.00E+00 #Diff not obsvd for myrma #ARG 9 9 ARG HA 9 ARG HB2 5.0 1.00E+00 #Diff. weaker in hiv2myrma 9 ARG HA 9 ARG HB3 5.0 1.00E+00 #Diff. weaker in hiv2myrma 9 ARG H 9 ARG HB3 5.0 1.00E+00 #Diff. weaker in hiv2myrma #9 ARG HB2 10 GLY H 5.5 1.00E+00 #Diff not obsvd for myrma 9 ARG QG 12 LYS QG 5.0 1.00E+00 #Diff. weaker in hiv2myrma 9 ARG QD 12 LYS QD 5.0 1.00E+00 #Diff. weaker in hiv2myrma #9 ARG H 13 ALA H 5.0 1.00E+00 #Diff not obsvd for myrma #9 ARG HB2 12 LYS H 5.0 1.00E+00 #Diff not obsvd for myrma #9 ARG HB3 12 LYS H 5.0 1.00E+00 #Diff not obsvd for myrma #9 ARG H 89 HISB HE1 5.0 1.00E+00 #Diff not obsvd for myrma #GLY 10 #10 GLY H 13 ALA QB 5.5 1.00E+00 #Diff not obsvd for myrma #LYS 11 #LYS 12 12 LYS H 12 LYS HB2 3.3 1.00E+00 #Diff weak for myrma 12 LYS H 12 LYS HG3 5.0 1.00E+00 #Diff weak for myrma 12 LYS HA 88 ILE QG2 5.0 1.00E+00 #Diff weak for myrma #ALA 13 13 ALA QB 14 ASP H 3.3 1.00E+00 #good for hiv2myrma 13 ALA HA 16 LEU QB 5.0 1.00E+00 #good for hiv2myrma #LEU 16 16 LEU QD1 16 LEU HB3 3.3 1.00E+00 #good for hiv2ma 16 LEU HA 16 LEU HG 5.5 1.00E+00 #v.weak for hiv2ma (defines chirality) 16 LEU HA 16 LEU HB2 3.3 1.00E+00 #good for hiv2ma (defines chirality) 16 LEU HA 16 LEU HB3 5.0 1.00E+00 #good for hiv2ma (defines chirality) 16 LEU HB3 17 GLU H 3.3 1.00E+00 #good for hiv2ma 16 LEU QD2 19 ILE QD1 3.3 1.00E+00 #good for hiv2ma 16 LEU HA 19 ILE QD1 3.3 1.00E+00 #good for hiv2ma 16 LEU HA 29 TYR HD2 5.5 1.00E+00 #good for hiv2ma 16 LEU QD1 29 TYR HB3 2.7 1.00E+00 #good for hiv2ma 16 LEU QD2 29 TYR HB2 2.7 1.00E+00 #good for hiv2ma 16 LEU QD2 29 TYR HB3 2.7 1.00E+00 #good for hiv2ma 16 LEU H 88 ILE QD1 5.0 1.00E+00 #good for hiv2ma 16 LEU H 88 ILE QG1 5.0 1.00E+00 #good for hiv2ma 16 LEU H 88 ILE QG2 5.0 1.00E+00 #good for hiv2ma 16 LEU HA 88 ILE QD1 5.0 1.00E+00 #good for hiv2ma #GLU 17 17 GLU QB 18 ARG H 3.3 1.00E+00 #good for hiv2ma 17 GLU HA 29 TYR HB2 5.0 1.00E+00 #good for hiv2ma #ARG 18 18 ARG HA 28 LYS QD 3.3 1.00E+00 #good for hiv2ma 18 ARG HA 28 LYS QE 5.0 1.00E+00 #good for hiv2ma #ILE 19 19 ILE H 28 LYS QB 5.0 1.00E+00 #good for hiv2ma 19 ILE H 29 TYR HD2 5.0 1.00E+00 #good for hiv2ma 19 ILE HB 29 TYR HD2 2.7 1.00E+00 #good for hiv2ma 19 ILE QG2 29 TYR HD2 2.7 1.00E+00 #good for hiv2ma 19 ILE QG2 29 TYR HE2 2.7 1.00E+00 #good for hiv2ma 19 ILE QG2 29 TYR H 5.0 1.00E+00 #good for hiv2ma 19 ILE QG2 84 VAL QG2 5.0 1.00E+00 #good for hiv2ma 19 ILE QG2 84 VAL QG1 5.0 1.00E+00 #good for hiv2ma 19 ILE QD1 84 VAL QG1 2.7 1.00E+00 #good for hiv2ma 19 ILE HG12 94 VAL QG2 3.3 1.00E+00 #good for hiv2ma Confirm stereo VAL 94 19 ILE QD1 94 VAL QG2 2.7 1.00E+00 #good for hiv2ma 19 ILE QG2 96 ASP HA 2.7 1.00E+00 #good for hiv2ma 19 ILE QG2 96 ASP H 5.0 1.00E+00 #good for hiv2ma 19 ILE QG2 97 THR H 5.0 1.00E+00 #good for hiv2ma #ARG 20 20 ARG HA 28 LYS HA 2.7 1.00E+00 #good for hiv2ma 20 ARG QB 22 ARG H 3.3 1.00E+00 #good for hiv2ma #LEU 21 21 LEU HA 21 LEU QD2 2.7 1.00E+0 #good for hiv2ma 21 LEU HG 21 LEU H 2.7 1.00E+00 #Very strong. Defines chirality 21 LEU HG 28 LYS HA 5.0 1.00E+00 #good for hiv2ma 21 LEU QD1 28 LYS H 5.0 1.00E+00 #good for hiv2ma 21 LEU QD2 29 TYR QE 3.3 1.00E+00 #good for hiv2ma 21 LEU QD2 29 TYR QD 3.3 1.00E+00 #good for hiv2ma 21 LEU QD2 29 TYR HA 3.3 1.00E+00 #good for hiv2ma 21 LEU QD2 29 TYR H 5.0 1.00E+00 #good for hiv2ma 21 LEU QD2 33 HISB HE1 5.0 1.00E+00 #good for hiv2ma 21 LEU QD1 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma 21 LEU HA 97 THR H 5.0 1.00E+00 #good for hiv2ma #ARG 22 22 ARG HA 23 PRO QD 2.7 1.00E+00 #good for hiv2ma 22 ARG QB 23 PRO QD 2.7 1.00E+00 #good for hiv2ma 22 ARG H 96 ASP HB2 5.0 1.00E+00 #good for hiv2ma 22 ARG H 96 ASP HB3 5.0 1.00E+00 #good for hiv2ma 22 ARG H 97 THR H 5.0 1.00E+00 #good for hiv2ma 22 ARG HA 97 THR H 5.0 1.00E+00 #good for hiv2ma 22 ARG HA 97 THR HB 5.0 1.00E+00 #good for hiv2ma #PRO 23 23 PRO HB2 24 GLY H 3.3 1.00E+00 #good for hiv2ma 23 PRO HD2 24 GLY H 5.0 1.00E+00 #good for hiv2ma 23 PRO HA 96 ASP HB2 3.3 1.00E+00 #good for hiv2ma 23 PRO HA 96 ASP HB3 3.3 1.00E+00 #good for hiv2ma 23 PRO HA 97 THR H 5.0 1.00E+00 #good for hiv2ma 23 PRO QD 98 GLU QG 3.3 1.00E+00 #good for hiv2ma #GLY 25 25 GLY H 22 ARG QB 3.3 1.00E+00 #good for hiv2ma #LYS 27 27 LYS H 27 LYS QB 2.7 1.00E+00 #good for hiv2ma #LYS 28 28 LYS H 27 LYS HA 2.7 1.00E+00 #good for hiv2ma #TYR 29 29 TYR H 29 TYR HD2 3.3 1.00E+00 #good for hiv2ma 29 TYR HD1 33 HISB HD2 5.0 1.00E+00 #good for hiv2ma 29 TYR HE1 33 HISB HD2 5.0 1.00E+00 #good for hiv2ma 29 TYR HA 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma 29 TYR HD1 33 HISB QB 2.7 1.00E+00 #good for hiv2ma 29 TYR HE1 33 HISB QB 3.3 1.00E+00 #good for hiv2ma 29 TYR HA 33 HISB QB 5.0 1.00E+00 #good for hiv2ma 29 TYR HE1 81 THR HA 3.3 1.00E+00 #good for hiv2ma 29 TYR HE1 81 THR QG2 3.3 1.00E+00 #good for hiv2ma 29 TYR HD1 81 THR QG2 5.0 1.00E+00 #good for hiv2ma 29 TYR HE2 84 VAL QG1 5.0 1.00E+00 #good for hiv2ma 29 TYR HE2 84 VAL QG2 5.0 1.00E+00 #good for hiv2ma 29 TYR HE1 84 VAL HB 5.0 1.00E+00 #good for hiv2ma 29 TYR HE2 97 THR H 5.0 1.00E+00 #good for hiv2ma 29 TYR HE2 97 THR HA 5.0 1.00E+00 #good for hiv2ma 29 TYR HE2 97 THR QG2 5.0 1.00E+00 #good for hiv2ma #ARG 30 30 ARG H 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma 30 ARG QB 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma (clear in 2D NOESY) #LEU 31 31 LEU HA 31 LEU QQD 2.7 1.00E+00 #good for hiv2ma 31 LEU H 31 LEU QD1 3.3 1.00E+00 #good for hiv2ma 31 LEU HA 34 ILE QD1 3.3 1.00E+00 #good for hiv2ma 31 LEU QQD 34 ILE QD1 5.0 1.00E+00 #good for hiv2ma #HISB 33 33 HISB HD2 33 HISB H 5.0 1.00E+00 #good for hiv2ma 33 HISB HD2 33 HISB HA 2.9 1.00E+00 #good for hiv2ma 33 HISB HA 36 TRP HE3 5.0 1.00E+00 #good for hiv2ma #ILE 34 34 ILE H 34 ILE HB 2.7 1.00E+00 #good for hiv2ma 34 ILE HB 35 VAL H 2.7 1.00E+00 #good for hiv2ma 34 ILE QG2 35 VAL QG2 5.0 1.00E+00 #good for hiv2ma 34 ILE HA 37 ALA QB 3.3 1.00E+00 #good for hiv2ma 34 ILE HA 81 THR QG2 5.0 1.00E+00 #good for hiv2ma 34 ILE HA 85 ILE QD1 5.0 1.00E+00 #good for hiv2ma 34 ILE HG12 85 ILE QD1 5.0 1.00E+00 #good for hiv2ma 34 ILE QD1 85 ILE QD1 3.3 1.00E+00 #good for hiv2ma 34 ILE QG2 85 ILE QD1 3.3 1.00E+00 #good for hiv2ma #VAL 35 35 VAL HA 35 VAL QG1 2.7 1.00E+00 #good for hiv2ma 35 VAL HA 35 VAL QG2 2.7 1.00E+00 #good for hiv2ma 35 VAL H 35 VAL QG2 2.7 1.00E+00 #good for hiv2ma 35 VAL H 35 VAL HB 2.7 1.00E+00 #good for hiv2ma 35 VAL HB 36 TRP H 2.7 1.00E+00 #good for hiv2ma 35 VAL HA 38 ALA QB 3.3 1.00E+00 #good for hiv2ma 35 VAL QG1 38 ALA QB 5.0 1.00E+00 #good for hiv2ma 35 VAL QG2 38 ALA QB 5.0 1.00E+00 #good for hiv2ma #TRP 36 36 TRP HE3 37 ALA H 3.3 1.00E+00 #good for hiv2ma 36 TRP HZ2 40 LYS QE 5.0 1.00E+00 #good for hiv2ma 36 TRP HZ2 74 ASN HA 5.0 1.00E+00 #good for hiv2ma 36 TRP HZ2 74 ASN HB3 5.0 1.00E+00 #good for hiv2ma 36 TRP HH2 74 ASN HA 5.0 1.00E+00 #good for hiv2ma 36 TRP HH2 78 LEU H 3.3 1.00E+00 #good for hiv2ma 36 TRP HZ3 78 LEU H 3.3 1.00E+00 #good for hiv2ma 36 TRP HZ3 78 LEU HA 2.7 1.00E+00 #good for hiv2ma 36 TRP HH2 78 LEU HA 5.0 1.00E+00 #good for hiv2ma 36 TRP HZ3 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma 36 TRP HE3 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma 36 TRP HZ3 81 THR H 5.0 1.00E+00 #good for hiv2ma 36 TRP HE3 81 THR QG2 5.0 1.00E+00 #good for hiv2ma #ALA 37 37 ALA QB 38 ALA H 3.3 1.00E+00 #good for hiv2ma 37 ALA HA 78 LEU QD1 2.7 1.00E+00 #good for hiv2ma 37 ALA QB 78 LEU QD1 3.3 1.00E+00 #good for hiv2ma 37 ALA QB 81 THR QG2 3.3 1.00E+00 #good for hiv2ma 37 ALA QB 81 THR HB 5.0 1.00E+00 #good for hiv2ma #ALA 38 38 ALA QB 48 GLU QB 2.7 1.00E+00 #good for hiv2ma 38 ALA HA 51 LEU QD1 2.7 1.00E+00 #good for hiv2ma 38 ALA H 51 LEU QD1 3.3 1.00E+00 #good for hiv2ma 38 ALA QB 51 LEU QD1 3.3 1.00E+00 #good for hiv2ma #LYS 40 40 LYS QB 78 LEU QD1 3.3 1.00E+00 #good for hiv2ma #LEU 41 41 LEU HG 41 LEU H 5.0 1.00E+00 #good for hiv2-ma (weak defines chirality) 41 LEU HA 44 PHE HD1 3.3 1.00E+00 #good for hiv2ma 41 LEU HA 46 LEU HB2 3.3 1.00E+00 #good for hiv2ma 41 LEU QD2 46 LEU HB2 3.3 1.00E+00 #good for hiv2ma 41 LEU HA 46 LEU QD1 5.0 1.00E+00 #good for hiv2ma 41 LEU HA 46 LEU QD2 5.0 1.00E+00 #good for hiv2ma 41 LEU QD1 48 GLU HA 2.7 1.00E+00 #good for hiv2ma 41 LEU QD1 48 GLU HB3 5.0 1.00E+00 #good for hiv2ma 41 LEU QD1 51 LEU HG 2.7 1.00E+00 #good for hiv2ma 41 LEU QD1 51 LEU QD2 3.3 1.00E+00 #good for hiv2ma 41 LEU QD1 60 ILE QD1 3.3 1.00E+00 #good for hiv2ma 41 LEU QD2 64 LEU QD1 5.0 1.00E+00 #good for hiv2ma 41 LEU H 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma 41 LEU QD2 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma 41 LEU QD2 78 LEU QD2 5.0 1.00E+00 #good for hiv2ma 41 LEU HG 38 ALA HA 5.0 1.00E+00 #good for hiv2ma #ASP 42 42 ASP H 48 GLU HB3 5.0 1.00E+00 #good for hiv2ma #PHE 44 44 PHE HB2 44 PHE H 2.7 1.00E+00 #good for hiv2ma 44 PHE HB3 46 LEU QD1 5.0 1.00E+00 #good for hiv2ma 44 PHE QE 75 LEU HA 5.0 1.00E+00 #good for hiv2ma 44 PHE QE 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma #LEU 46 46 LEU HB2 46 LEU H 2.7 1.00E+00 #good for hiv2ma 46 LEU HB3 46 LEU H 5.0 1.00E+00 #good for hiv2ma 46 LEU HA 46 LEU QD2 3.3 1.00E+00 #good for hiv2ma #(weak, defines chirality) 46 LEU HA 46 LEU QD2 5.0 1.00E+00 #good for hiv2ma #(defines chirality) 46 LEU H 46 LEU QD1 5.0 1.00E+00 #good for hiv2ma #(defines chirality) 46 LEU H 46 LEU HG 3.3 1.00E+00 #good for hiv2ma 46 LEU HA 46 LEU HG 5.0 1.00E+00 #good for hiv2ma 46 LEU QD2 47 ALA H 3.3 1.00E+00 #good for hiv2ma 46 LEU QD2 50 LEU QD1 3.3 1.00E+00 #good for hiv2ma 46 LEU QD1 60 ILE HA 3.3 1.00E+00 #good for hiv2ma 46 LEU QD1 60 ILE QG2 5.0 1.00E+00 #good for hiv2ma 46 LEU QD2 63 VAL HB 5.0 1.00E+00 #good for hiv2ma #ALA 47 47 ALA HA 49 SER H 5.0 1.00E+00 #good for hiv2ma 47 ALA QB 49 SER H 2.7 1.00E+00 #good for hiv2ma 47 ALA QB 50 LEU QD1 5.0 1.00E+00 #good for hiv2ma 47 ALA H 50 LEU QD1 5.0 1.00E+00 #good for hiv2ma 47 ALA QB 50 LEU H 5.0 1.00E+00 #good for hiv2ma #SER 49 49 SER H 50 LEU HG 5.0 1.00E+00 #good for hiv2ma 49 SER HA 52 GLU QG 3.3 1.00E+00 #good for hiv2ma 49 SER QB 52 GLU QG 5.0 1.00E+00 #good for hiv2ma #LEU 50 50 LEU H 50 LEU HG 2.7 1.00E+00 #good for hiv2ma 50 LEU HA 50 LEU HG 3.3 1.00E+00 #good for hiv2ma 50 LEU HA 50 LEU QD2 2.7 1.00E+00 #good for hiv2ma 50 LEU H 50 LEU HB2 2.7 1.00E+00 #good for hiv2ma 50 LEU HA 56 GLY HA3 3.3 1.00E+00 #good for hiv2ma 50 LEU QD2 56 GLY HA3 3.3 1.00E+00 #good for hiv2ma 50 LEU QD2 56 GLY HA2 3.3 1.00E+00 #good for hiv2ma #LEU 51 51 LEU HA 51 LEU QD2 2.7 1.00E+00 #good for hiv2ma 51 LEU HG 51 LEU H 3.3 1.00E+00 #good for hiv2ma 51 LEU HG 51 LEU HA 3.3 1.00E+00 #good for hiv2ma 51 LEU QD2 57 CYS HA 5.0 1.00E+00 #good for hiv2ma 51 LEU HA 57 CYS HA 5.0 1.00E+00 #good for hiv2ma 51 LEU HA 60 ILE QD1 5.0 1.00E+00 #good for hiv2ma 51 LEU HG 60 ILE QD1 5.0 1.00E+00 #good for hiv2ma 51 LEU QD2 60 ILE QD1 3.3 1.00E+00 #good for hiv2ma 51 LEU HA 85 ILE QG2 5.0 1.00E+00 #good for hiv2ma 51 LEU QD2 85 ILE QD1 2.7 1.00E+00 #good for hiv2ma #SER 53 53 SER HA 53 SER QB 2.7 1.00E+00 #good for hiv2ma (helix cap) 53 SER QB 56 GLY H 5.0 1.00E+00 #good for hiv2ma 53 SER HA 89 HISB HD2 5.0 1.00E+00 #good for hiv2ma #LYS 54 54 LYS HA 86 TRP HD1 3.3 1.00E+00 #good for hiv2ma 54 LYS QD 86 TRP HZ2 5.0 1.00E+00 #good for hiv2ma 54 LYS QG 86 TRP HE1 5.0 1.00E+00 #good for hiv2ma 54 LYS QD 86 TRP HE1 5.0 1.00E+00 #good for hiv2ma 54 LYS HA 89 HISB HB2 3.3 1.00E+00 #good for hiv2ma 54 LYS HA 89 HISB HB3 5.0 1.00E+00 #good for hiv2ma 54 LYS HA 89 HISB HD2 3.3 1.00E+00 #good for hiv2ma 54 LYS H 89 HISB HD2 5.0 1.00E+00 #good for hiv2ma 54 LYS H 89 HISB HB3 3.3 1.00E+00 #good for hiv2ma #GLU 55 #GLY 56 56 GLY H 50 LEU QD2 5.0 1.00E+00 #good for hiv2ma #CYS 57 57 CYS H 86 TRP HD1 5.0 1.00E+00 #good for hiv2ma 57 CYS HB2 86 TRP HD1 2.7 1.00E+00 #good for hiv2ma 57 CYS HB3 86 TRP H 5.0 1.00E+00 #good for hiv2ma 57 CYS HB2 89 HISB HD2 5.0 1.00E+00 #good for hiv2ma #GLN 58 58 GLN H 86 TRP HD1 3.3 1.00E+00 #good for hiv2ma 58 GLN H 86 TRP HE1 5.0 1.00E+00 #good for hiv2ma 58 GLN QB 86 TRP HE1 5.0 1.00E+00 #good for hiv2ma 58 GLN QG 86 TRP HE1 5.0 1.00E+00 #good for hiv2ma 58 GLN QB 86 TRP HD1 5.0 1.00E+00 #good for hiv2ma 58 GLN QG 86 TRP HD1 5.0 1.00E+00 #good for hiv2ma (very close in SIV-MA x-ray struct.) #ILE 60 60 ILE H 60 ILE QD1 5.0 1.00E+00 #good for hiv2ma 60 ILE H 60 ILE HB 3.3 1.00E+00 #good for hiv2ma 60 ILE H 60 ILE HG13 2.7 1.00E+00 #good for hiv2ma 60 ILE QG2 61 LEU H 5.0 1.00E+00 #good for hiv2ma 60 ILE HB 61 LEU H 2.7 1.00E+00 #good for hiv2ma 60 ILE QG2 64 LEU QD1 3.3 1.00E+00 #good for hiv2ma 60 ILE QG2 64 LEU HG 3.3 1.00E+00 #good for hiv2ma #LEU 61 61 LEU HA 61 LEU QD2 2.7 1.00E+00 #good for hiv2ma 61 LEU H 61 LEU HB2 2.7 1.00E+00 #good for hiv2ma (define stereochemistry) 61 LEU H 61 LEU HG 2.7 1.00E+00 #good for hiv2ma (define stereochemistry) 61 LEU HB2 62 THR H 3.3 1.00E+00 #good for hiv2ma 61 LEU HA 64 LEU QD1 5.0 1.00E+00 #good for hiv2ma 61 LEU HA 79 PHE HE1 3.3 1.00E+00 #good for hiv2ma 61 LEU HA 79 PHE HD1 3.3 1.00E+00 #good for hiv2ma 61 LEU QD2 79 PHE HE1 3.3 1.00E+00 #good for hiv2ma 61 LEU QD2 79 PHE HD1 3.3 1.00E+00 #good for hiv2ma 61 LEU QD2 79 PHE HA 5.0 1.00E+00 #good for hiv2ma 61 LEU QD2 82 VAL QG2 3.3 1.00E+00 #good for hiv2ma 61 LEU QD2 82 VAL HB 2.7 1.00E+00 #good for hiv2ma 61 LEU H 82 VAL QG2 5.0 1.00E+00 #good for hiv2ma 61 LEU QD2 83 CYS HA 5.0 1.00E+00 #good for hiv2ma 61 LEU QD1 83 CYS HA 3.3 1.00E+00 #good for hiv2ma 61 LEU QD2 83 CYS H 3.3 1.00E+00 #good for hiv2ma 61 LEU QD1 86 TRP HB2 5.0 1.00E+00 #good for hiv2ma 61 LEU QD1 86 TRP HB3 5.0 1.00E+00 #good for hiv2ma 61 LEU QD1 86 TRP HD1 5.0 1.00E+00 #good for hiv2ma 61 LEU QD1 104 VAL QG1 3.3 1.00E+00 #good for hiv2ma #THR 62 62 THR QG2 59 LYS HA 3.3 1.00E+00 #good for hiv2ma 62 THR HB 59 LYS HA 3.3 1.00E+00 #good for hiv2ma 62 THR H 62 THR HB 2.7 1.00E+00 #good for hiv2ma #LEU 64 64 LEU H 64 LEU HG 2.7 1.00E+00 #good for hiv2ma 64 LEU HA 64 LEU HG 5.0 1.00E+00 #good for hiv2ma 64 LEU HA 64 LEU QD2 3.3 1.00E+00 #good for hiv2ma 64 LEU HA 67 MET HB2 3.3 1.00E+00 #good for hiv2ma 64 LEU HA 67 MET QG 5.0 1.00E+00 #good for hiv2ma 64 LEU HA 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma 64 LEU QD2 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma 64 LEU QD1 78 LEU QD2 5.0 1.00E+00 #good for hiv2ma 64 LEU QD2 78 LEU QD2 5.0 1.00E+00 #good for hiv2ma 64 LEU QD1 78 LEU HG 3.3 1.00E+00 #good for hiv2ma 64 LEU QD1 79 PHE H 5.0 1.00E+00 #good for hiv2ma 64 LEU QD1 79 PHE HA 3.3 1.00E+00 #good for hiv2ma 64 LEU QD1 79 PHE HD1 3.3 1.00E+00 #good for hiv2ma 64 LEU QD1 82 VAL QG1 3.3 1.00E+00 #good for hiv2ma #ASP 65 65 ASP H 66 PRO HD2 3.3 1.00E+00 #good for hiv2ma 65 ASP H 66 PRO HD3 3.3 1.00E+00 #good for hiv2ma 65 ASP QB 66 PRO QD 2.7 1.00E+00 #good for hiv2ma 65 ASP QB 79 PHE HE1 5.0 1.00E+00 #good for hiv2ma 65 ASP H 79 PHE HE1 5.0 1.00E+00 #good for hiv2ma 65 ASP H 79 PHE HD1 5.0 1.00E+00 #good for hiv2ma 65 ASP HA 79 PHE HE1 3.3 1.00E+00 #good for hiv2ma 65 ASP HA 79 PHE HD1 5.0 1.00E+00 #good for hiv2ma #PRO 66 66 PRO HB2 67 MET H 5.0 1.00E+00 #good for hiv2ma 66 PRO HG2 67 MET H 3.3 1.00E+00 #good for hiv2ma 66 PRO HD2 67 MET H 3.3 1.00E+00 #good for hiv2ma #MET 67 67 MET QB 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma 67 MET QB 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma #VAL 68 68 VAL H 66 PRO HD2 5.0 1.00E+00 #good for hiv2ma 68 VAL H 68 VAL QG2 3.3 1.00E+00 #good for hiv2ma 68 VAL H 68 VAL HB 2.7 1.00E+00 #good for hiv2ma 68 VAL HA 68 VAL QG2 2.7 1.00E+00 #good for hiv2ma 68 VAL HA 75 LEU QD2 2.7 1.00E+00 #good for hiv2ma 68 VAL QG2 75 LEU QD2 3.3 1.00E+00 #good for hiv2ma 68 VAL QG2 76 LYS HA 3.3 1.00E+00 #good for hiv2ma 68 VAL QG2 76 LYS QB 5.0 1.00E+00 #good for hiv2ma 68 VAL QG2 76 LYS QG 3.3 1.00E+00 #good for hiv2ma 68 VAL QG1 76 LYS QG 3.3 1.00E+00 #good for hiv2ma 68 VAL QG1 76 LYS QE 3.3 1.00E+00 #good for hiv2ma 68 VAL QG2 79 PHE QE 2.7 1.00E+00 #good for hiv2ma 68 VAL QG2 79 PHE QD 2.7 1.00E+00 #good for hiv2ma 68 VAL QG2 79 PHE HB2 3.3 1.00E+00 #good for hiv2ma 68 VAL QG2 79 PHE HB3 3.3 1.00E+00 #good for hiv2ma #PRO 69 69 PRO HB2 70 THR H 5.0 1.00E+00 #good for hiv2ma 69 PRO HG2 70 THR H 3.3 1.00E+00 #good for hiv2ma 69 PRO HD2 70 THR H 3.3 1.00E+00 #good for hiv2ma 69 PRO HB2 70 THR HG2 5.0 1.00E+00 #good for hiv2ma 69 PRO HG2 70 THR HG2 5.0 1.00E+00 #good for hiv2ma #GLY 71 71 GLY H 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma 71 GLY HA3 75 LEU QD2 3.3 1.00E+00 #good for hiv2ma 71 GLY HA2 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma 71 GLY H 76 LYS QE 5.0 1.00E+00 #good for hiv2ma #SER 72 72 SER H 72 SER HB3 2.7 1.00E+00 #good for hiv2ma 72 SER HB2 73 GLU H 2.7 1.00E+00 #good for hiv2ma 72 SER H 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma 72 SER H 75 LEU QB 5.0 1.00E+00 #good for hiv2ma #SER 74 74 ASN HA 77 SER QB 5.0 1.00E+00 #good for hiv2ma #LEU 75 75 LEU H 75 LEU QB 2.7 1.00E+00 #good for hiv2ma 75 LEU HA 75 LEU HG 2.7 1.00E+00 #good for hiv2ma 75 LEU HG 79 PHE H 5.0 1.00E+00 #good for hiv2ma (Defines stereochemistry) #SER 77 77 SER QB 36 TRP HH2 3.3 1.00E+00 #good for hiv2ma 77 SER HA 80 ASN QB 3.3 1.00E+00 #good for hiv2ma #LEU 78 78 LEU HA 78 LEU QD1 2.7 1.00E+00 #good for hiv2ma 78 LEU QB 79 PHE H 3.3 1.00E+00 #good for hiv2ma 78 LEU HG 82 VAL QG2 3.3 1.00E+00 #good for hiv2ma 78 LEU QD1 82 VAL QG2 3.3 1.00E+00 #good for hiv2ma #PHE 79 79 PHE HE2 101 LYS QG 5.0 1.00E+00 #good for hiv2ma 79 PHE HD2 101 LYS QG 5.0 1.00E+00 #good for hiv2ma #ASN 80 80 ASN HA 97 THR QG2 5.0 1.00E+00 #good for hiv2ma 80 ASN QB 97 THR QG2 3.3 1.00E+00 #good for hiv2ma 80 ASN HA 101 LYS QG 3.3 1.00E+00 #good for hiv2ma #THR 81 81 THR HA 81 THR QG2 2.7 1.00E+00 #good for hiv2ma 81 THR HB 81 THR H 2.7 1.00E+00 #good for hiv2ma 81 THR HB 82 VAL H 2.7 1.00E+00 #good for hiv2ma #VAL 82 82 VAL HA 82 VAL QG2 2.7 1.00E+00 #good for hiv2ma 82 VAL H 82 VAL HB 2.7 1.00E+00 #good for hiv2ma 82 VAL HB 83 CYS H 3.3 1.00E+00 #good for hiv2ma 82 VAL QG1 83 CYS H 5.0 1.00E+00 #good for hiv2ma #CYS 83 83 CYS QB 100 ALA QB 5.0 1.00E+00 #good for hiv2ma 83 CYS QB 101 LYS HA 5.0 1.00E+00 #good for hiv2ma 83 CYS HA 104 VAL QG2 2.7 1.00E+00 #good for hiv2ma 83 CYS QB 104 VAL QG2 3.3 1.00E+00 #good for hiv2ma 83 CYS QB 104 VAL QG1 5.0 1.00E+00 #good for hiv2ma #VAL 84 84 VAL H 84 VAL HB 2.7 1.00E+00 #good for hiv2ma 84 VAL H 84 VAL QG2 3.3 1.00E+00 #good for hiv2ma 84 VAL HA 84 VAL QG2 2.7 1.00E+00 #good for hiv2ma 84 VAL HA 84 VAL QG1 2.7 1.00E+00 #good for hiv2ma 84 VAL HB 85 ILE H 2.7 1.00E+00 #good for hiv2ma 84 VAL QG1 88 ILE QG2 5.0 1.00E+00 #good for hiv2ma 84 VAL QG1 94 VAL QG2 5.0 1.00E+00 #good for hiv2ma 84 VAL HA 94 VAL QG2 5.0 1.00E+00 #good for hiv2ma 84 VAL QG2 97 THR HA 2.7 1.00E+00 #good for hiv2ma 84 VAL QG2 97 THR QG2 2.7 1.00E+00 #good for hiv2ma 84 VAL QG2 100 ALA QB 3.3 1.00E+00 #good for hiv2ma 84 VAL H 100 ALA QB 5.0 1.00E+00 #good for hiv2ma 84 VAL HA 100 ALA QB 2.7 1.00E+00 #good for hiv2ma #ILE 85 85 ILE QD1 85 ILE HA 3.3 1.00E+00 #good for hiv2ma 85 ILE HB 85 ILE H 2.7 1.00E+00 #good for hiv2ma 85 ILE QG1 85 ILE H 2.7 1.00E+00 #good for hiv2ma 85 ILE HB 86 TRP H 3.3 1.00E+00 #good for hiv2ma 85 ILE HA 88 ILE HB 3.3 1.00E+00 #good for hiv2ma 85 ILE QG2 89 HISB HD2 2.7 1.00E+00 #good for hiv2ma #TRP 86 86 TRP H 86 TRP HB2 2.7 1.00E+00 #good for hiv2ma 86 TRP H 86 TRP HB3 2.7 1.00E+00 #good for hiv2ma 86 TRP HE3 87 CYS HA 2.7 1.00E+00 #good for hiv2ma 86 TRP HB3 87 CYS H 2.7 1.00E+00 #good for hiv2ma 86 TRP HA 89 HISB HD2 3.3 1.00E+00 #good for hiv2ma 86 TRP QB 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma 86 TRP HE3 104 VAL QG2 2.7 1.00E+00 #good for hiv2ma 86 TRP HZ3 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma #CYS 87 87 CYS HA 90 ALA QB 2.7 1.00E+00 #good for hiv2ma 87 CYS HB3 92 GLU QB 5.0 1.00E+00 #good for hiv2ma 87 CYS HA 92 GLU QB 3.3 1.00E+00 #good for hiv2ma 87 CYS HB3 92 GLU H 5.0 1.00E+00 #good for hiv2ma 87 CYS HA 92 GLU H 5.0 1.00E+00 #good for hiv2ma 87 CYS HB3 94 VAL QG1 5.0 1.00E+00 #good for hiv2ma 87 CYS HB2 100 ALA QB 5.0 1.00E+00 #good for hiv2ma 87 CYS HA 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma 87 CYS H 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma #ILE 88 88 ILE HA 88 ILE QG1 2.7 1.00E+00 #good for hiv2ma 88 ILE HA 88 ILE QG2 2.7 1.00E+00 #good for hiv2ma 88 ILE H 88 ILE HG13 2.7 1.00E+00 #good for hiv2ma 88 ILE H 88 ILE HB 2.7 1.00E+00 #good for hiv2ma 88 ILE HB 89 HISB H 2.7 1.00E+00 #good for hiv2ma #HISB 89 89 HISB HD2 89 HISB HB2 3.3 1.00E+00 #good for hiv2ma #ALA 90 90 ALA HA 54 LYS QD 2.9 1.00E+00 #good for hiv2ma 90 ALA HA 54 LYS QE 3.3 1.00E+00 #good for hiv2ma 90 ALA QB 86 TRP HH2 3.3 1.00E+00 #good for hiv2ma 90 ALA QB 86 TRP HZ2 3.3 1.00E+00 #good for hiv2ma 90 ALA QB 86 TRP HZ3 3.3 1.00E+00 #good for hiv2ma 90 ALA QB 86 TRP HE3 3.3 1.00E+00 #good for hiv2ma 90 ALA QB 92 GLU QB 3.3 1.00E+00 #good for hiv2ma 90 ALA QB 92 GLU QG 2.7 1.00E+00 #good for hiv2ma #GLU 91 91 GLU HA 88 ILE HA 5.0 1.00E+00 #good for hiv2ma #GLU 92 92 GLU H 92 GLU QB 3.3 1.00E+00 #good for hiv2ma 92 GLU HA 94 VAL QG1 5.0 1.00E+00 #good for hiv2ma 92 GLU QB 94 VAL QG1 5.0 1.00E+00 #good for hiv2ma 92 GLU QB 103 ILE QG2 3.3 1.00E+00 #good for hiv2ma 92 GLU QB 103 ILE QD1 3.3 1.00E+00 #good for hiv2ma 92 GLU QG 103 ILE QG2 3.3 1.00E+00 #good for hiv2ma 92 GLU QG 103 ILE QD1 5.0 1.00E+00 #good for hiv2ma #VAL 94 94 VAL H 94 VAL QG1 3.3 1.00E+00 #good for hiv2ma 94 VAL H 94 VAL QG2 2.7 1.00E+00 #good for hiv2ma 94 VAL HA 94 VAL HB 2.7 1.00E+00 #good for hiv2ma 94 VAL HB 95 LYS H 3.3 1.00E+00 #good for hiv2ma 94 VAL HB 96 ASP H 3.3 1.00E+00 #good for hiv2ma 94 VAL QG2 96 ASP H 5.0 1.00E+00 #good for hiv2ma 94 VAL HB 100 ALA QB 5.0 1.00E+00 #good for hiv2ma 94 VAL HB 100 ALA H 3.3 1.00E+00 #good for hiv2ma 94 VAL HB 100 ALA HA 5.0 1.00E+00 #good for hiv2ma 94 VAL QG1 100 ALA HA 2.7 1.00E+00 #good for hiv2ma 94 VAL QG1 100 ALA QB 3.3 1.00E+00 #good for hiv2ma 94 VAL QG2 100 ALA QB 2.7 1.00E+00 #good for hiv2ma 94 VAL QG1 103 ILE QD1 2.7 1.00E+00 #good for hiv2ma #ASP 96 96 ASP H 96 ASP HB3 3.3 1.00E+00 #good for hiv2ma 96 ASP HA 96 ASP HB2 2.7 1.00E+00 #good for hiv2ma 96 ASP HA 96 ASP HB3 2.7 1.00E+00 #good for hiv2ma 96 ASP HB2 97 THR H 3.3 1.00E+00 #good for hiv2ma 96 ASP HB2 98 GLU H 3.3 1.00E+00 #good for hiv2ma #THR 97 97 THR HB 98 GLU H 3.3 1.00E+00 #good for hiv2ma 97 THR HA 100 ALA QB 3.3 1.00E+00 #good for hiv2ma #ALA 100 100 ALA HA 100 ALA H 3.3 1.00E+00 #good for hiv2ma 100 ALA QB 100 ALA H 2.7 1.00E+00 #good for hiv2ma #LYS 101 101 LYS HA 101 LYS QB 2.7 1.00E+00 #good for hiv2ma #ILE 103 103 ILE HB 103 ILE H 2.7 1.00E+00 #good for hiv2ma 103 ILE HG13 103 ILE H 2.7 1.00E+00 #good for hiv2ma 103 ILE HG12 103 ILE HA 2.7 1.00E+00 #good for hiv2ma 103 ILE HG13 103 ILE HB 2.7 1.00E+00 #good for hiv2ma #VAL 104 104 VAL HB 105 ARG H 3.3 1.00E+00 #good for hiv2ma 104 VAL QG1 105 ARG H 3.3 1.00E+00 #good for hiv2ma 104 VAL HA 107 HISB QB 5.0 1.00E+00 #good for hiv2ma 104 VAL QG1 108 LEU QD1 2.7 1.00E+00 #good for hiv2ma 104 VAL QG1 108 LEU QB 5.0 1.00E+00 #good for hiv2ma #ARG 105 105 ARG QG 109 VAL QG2 3.3 1.00E+00 #good for hiv2ma #HISB 107 107 HISB HD2 103 ILE QG2 2.7 1.00E+00 #good for hiv2ma 107 HISB HB2 107 HISB H 2.7 1.00E+00 #good for hiv2ma 107 HISB HB3 107 HISB HA 2.7 1.00E+00 #good for hiv2ma 107 HISB HB2 107 HISB HD2 3.3 1.00E+00 #good for hiv2ma #LEU 108 108 LEU HA 108 LEU QD2 2.7 1.00E+00 #good for hiv2ma 108 LEU HG 108 LEU H 2.7 1.00E+00 #good for hiv2ma #THR 112 112 THR HA 112 THR QG2 2.7 1.00E+00 #good for hiv2ma
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