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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21322 |
2hgh   |
7194 | cing | 1-original | 6 | DYANA/DIANA | distance | NOE | simple |
#======================================== # Long Range NOEs Zinc Finger 4 #======================================== 104 MET HA 105 TYR QD 5.00 #WEAK 104 MET HA 105 TYR QE 5.00 #WEAK 104 MET HA 106 VAL QG2 5.00 #ORIENTATION of VAL 104 MET HA 115 ALA QB 5.00 #WEAK S.D? #104 MET QB 105 TYR QD 5.00 #OVERLAP 117.qb 104 MET QB 106 VAL QG2 5.00 #ORIENTATION of VAL 104 MET QB 115 ALA QB 5.00 #might LOOSEN due to mobility 104 MET QB 117 LYS+ HA 5.00 #might LOOSEN due to mobility 104 MET QG 105 TYR QD 5.00 #might LOOSEN due to mobility 104 MET QG 106 VAL QG2 3.30 #ORIENTATION of VAL 104 MET QG 115 ALA QB 5.00 #might LOOSEN due to mobility 104 MET QG 117 LYS+ HA 5.00 #might LOOSEN due to mobility 104 MET QE 105 TYR QD 5.00 #might LOOSEN due to mobility 104 MET QE 106 VAL QG2 5.00 #ORIENTATION of VAL 104 MET QE 115 ALA HA 5.00 #might LOOSEN due to mobility 104 MET QE 115 ALA QB 5.00 #might LOOSEN due to mobility 104 MET QE 116 PHE HA 3.30 #might LOOSEN due to mobility 104 MET QE 117 LYS+ HA 5.00 #might LOOSEN due to mobility 104 MET QE 117 LYS+ QE 5.00 #might LOOSEN due to mobility #105 TYR HN 105 TYR HB2 2.70 #phi and Chi-1 UNDETERMINED 105 TYR HN 115 ALA QB 5.00 #WEAK cross-sheet HN(i)-QB(j-1) #105 TYR HN 116 PHE HB2 5.00 #OVERLAP 105 TYR HN 116 PHE HB3 5.00 #WEAK 105 TYR HA 106 VAL QG2 3.30 #MEDIUM 105 TYR HA 122 LEU QD2 3.30 #MEDIUM 105 TYR HA 122 LEU QD1 5.00 #WEAK-MEDIUM #105 TYR HB3 116 PHE HB2 5.00 #BROAD #105 TYR HB3 116 PHE HB3 5.00 #BROAD #105 TYR HB3 118 LYS+ HN 5.00 #OVERLAP 105 TYR HB3 122 LEU QD2 5.00 #STRONG relax 10nov3 #105 TYR HB2 116 PHE HB2 3.30 #BROAD #105 TYR HB2 116 PHE HB3 5.00 #BROAD #105 TYR HB2 116 PHE QD 5.00 #OVERLAP #105 TYR HB2 118 LYS+ HN 5.00 #OVERLAP 105 TYR HB2 122 LEU QD2 5.00 #MEDIUM relax 10nov3 #105 TYR QD 106 VAL QG1 5.00 #S.D. 6A #105 TYR QD 117 LYS+ HA 5.00 #MEDIUM relax 8nov3 remove 10nov3 #105 TYR QD 118 LYS+ HN 5.00 #MEDIUM relax 10nov3 rm 9dec3 #105 TYR QD 118 LYS+ HA 5.00 #WEAK-MEDIUM remove 10nov3 #105 TYR QD 119 HIS HN 3.30 #MEDIUM overlap 105.qe rm 9dec3 #105 TYR QD 119 HIS HA 3.30 #MEDIUM remove 8nov3 #105 TYR QD 119 HIS HD2 5.00 #VERY WEAK remove 8nov3 #105 TYR QD 122 LEU QD2 3.30 #MEDIUM-STRONG remove 8nov3 for flex #105 TYR QE 118 LYS+ HA 3.30 #STRONG relax 8nov3 rm 9dec3 #105 TYR QE 118 LYS+ QB 5.00 #VERY WEAK remove 8nov3 #105 TYR QE 118 LYS+ HG2 5.00 #WEAK-MEDIUM remove 8nov3 #105 TYR QE 118 LYS+ HG3 3.30 #MEDIUM remove 8nov3 #105 TYR QE 118 LYS+ HD2 3.30 #MEDIUM remove 8nov3 #105 TYR QE 118 LYS+ HD3 3.30 #MEDIUM remove 8nov3 #105 TYR QE 118 LYS+ HE2 5.00 #WEAK remove 8nov3 #105 TYR QE 118 LYS+ HE3 5.00 #WEAK remove 8nov3 #105 TYR QE 119 HIS HN 3.30 #MEDIUM overlap 105.qd rm 9dec3 #105 TYR QE 119 HIS HA 5.00 #MEDIUM relax 7nov3 remove 8nov3 105 TYR QE 119 HIS HD2 3.30 #MEDIUM keep 8nov3 KEEP #105 TYR QE 122 LEU QD2 5.00 #WEAK-MEDIUM remove 8nov3 for flex #105 TYR QR 118 LYS+ HN 3.30 #OVERLAP 105.qr 116.qd NEED 4D CN remove 8nov3 #105 TYR QR 119 HIS HN 3.30 #OVERLAP 105.qr 116.qd NEED 4D CN remove 8nov3 106 VAL HN 106 VAL HB 2.70 #ORIENTATION of VAL 106.hb->107.hn is weak too 106 VAL HN 106 VAL QG2 2.70 #ORIENTATION of VAL 106 VAL HN 122 LEU QD2 3.30 #MEDIUM OVERLAP 115.qb 106 VAL HA 115 ALA QB 3.30 #MEDIUM cross sheet HA(i)-QB(j) #106 VAL HA 116 PHE QD 5.00 #OVERLAP 106 VAL QG1 107 CYSZ HN 3.30 #ORIENTATION of VAL 106 VAL QG1 107 CYSZ HA 5.00 #WEAK CAREFUL!! 106 VAL QG1 108 HIS HA 5.00 #WEAK 106 VAL QG1 108 HIS HE1 2.70 #might LOOSEN due to mobility 106 VAL QG1 113 GLY HN 5.00 #WEAK-MEDIUM 106 VAL QG1 113 GLY HA2 3.30 #STRONG relax 11nov3 106 VAL QG1 113 GLY HA3 5.00 #MEDIUM relax 11nov3 106 VAL QG1 114 LYS+ HN 5.00 #ORIENTATION of VAL 106 VAL QG1 115 ALA HA 3.30 #MEDIUM 106 VAL QG1 115 ALA QB 3.30 #MEDIUM 106 VAL QG2 108 HIS HE1 3.30 #might LOOSEN due to mobility 106 VAL QG2 113 GLY HA2 5.00 #WEAK #106 VAL QG2 113 GLY HA3 5.00 #S.D. 106 VAL QG2 115 ALA HA 2.70 #STRONG 106 VAL QG2 115 ALA QB 2.70 #STRONG 106 VAL QG2 116 PHE HN 5.00 #ORIENTATION of VAL #107 CYSZ HN 113 GLY HN 5.00 #VERY WEAK S.D. rm 24nov3 #107 CYSZ HN 114 LYS+ HN 5.00 #see cross-sheet HN-HN above #107 CYSZ HN 114 LYS+ HA 5.00 #WRONG ORIENTATION 5A #107 CYSZ HN 115 ALA QB 3.30 #DISTANCE FILTERED OVERLAP 122.qd2 #107 CYSZ HN 116 PHE QD 5.00 #OVERLAP 107 CYSZ HN 116 PHE QE 3.30 #MEDIUM 107 CYSZ HN 116 PHE HZ 5.00 #WEAK #107 CYSZ HN 122 LEU QD1 3.30 #OVERLAP 115.qb remove 8nov3 107 CYSZ HN 125 HIS HD2 5.00 #MEDIUM S.D. loosen 4Jun2 107 CYSZ HA 109 PHE HN 5.00 #WEAK #107 CYSZ HA 114 LYS+ HN 5.00 #S.D. 6A 107 CYSZ HA 116 PHE QE 5.00 #WEAK 107 CYSZ HA 122 LEU QD1 2.70 #STRONG 107 CYSZ HA 122 LEU QD2 3.30 #MEDIUM spin diffusion? 107 CYSZ HA 125 HIS HD2 5.00 #spin diffusion? 107 CYSZ HA 126 GLN HE21 2.70 #STRONG 107 CYSZ HA 126 GLN HE22 3.30 #MEDIUM #107 CYSZ HB2 114 LYS+ HN 5.00 #OVERLAP 114.qe 107 CYSZ HB2 116 PHE QD 5.00 #WEAK 107 CYSZ HB2 116 PHE QE 5.00 #WEAK 107 CYSZ HB2 122 LEU QD1 3.30 #MEDIUM 107 CYSZ HB2 125 HIS HD2 3.30 #MEDIUM #107 CYSZ HB3 113 GLY HN 5.00 #WEAK remove 8nov3 107 CYSZ HB3 114 LYS+ HN 3.30 #MEDIUM 107 CYSZ HB3 114 LYS+ HB2 5.00 #med in xray 107 CYSZ HB3 122 LEU QD1 5.00 #WEAK #107 CYSZ HB3 125 HIS HD2 5.00 #N.O. #107 CYSZ HB3 126 GLN HG2 5.00 #??? OVERLAP 108 HIS HN 109 PHE HN 2.70 #STRONG-MEDIUM 108 HIS HN 122 LEU QD2 5.00 #WEAK 108 HIS HN 126 GLN HE21 5.00 #WEAK 108 HIS HN 126 GLN HE22 5.00 #WEAK #108 HIS HA 109 PHE HN 3.30 #MEDIUM remove 12nov3 108 HIS HA 113 GLY HN 5.00 #MEDIUM-WEAK 109 PHE HN 112 CYS- HN 5.00 #WEAK overlap 129.he1 109 PHE HN 112 CYS- QB 5.00 #WEAK HN-S? 109 PHE HN 113 GLY HN 5.00 #WEAK 109 PHE HN 126 GLN HE21 5.00 #WEAK 109 PHE HN 129 HIS HD2 5.00 #WEAK 109 PHE HA 110 GLU- HN 2.70 #VERY STRONG #109 PHE HA 112 CYS- QB 5.00 #WEAK wrong orientation remove 12nov3 109 PHE HB2 112 CYS- HN 5.00 #WEAK 109 PHE HB2 112 CYS- QB 3.30 #MEDIUM-WEAK #109 PHE HB2 113 GLY HN 6.00 #VERY WEAK remove 12nov3 109 PHE HB2 129 HIS HD2 3.30 #MEDIUM-WEAK 109 PHE HB2 129 HIS HE1 3.30 #MEDIUM-WEAK 109 PHE HB3 112 CYS- HN 5.00 #WEAK 109 PHE HB3 112 CYS- QB 3.30 #MEDIUM-WEAK #109 PHE HB3 113 GLY HN 6.00 #VERY WEAK remove 12nov3 109 PHE HB3 129 HIS HD2 5.00 #WEAK-MEDIUM 109 PHE HB3 129 HIS HE1 3.30 #MEDIUM-WEAK 109 PHE QD 110 GLU- HN 5.00 #WEAK removed 4jun2 try again 8jun2 109 PHE QD 112 CYS- HN 5.00 #WEAK added 4jun2 109 PHE QD 112 CYS- HA 5.00 #WEAK remove 12nov3 try again 20nov3 109 PHE QD 112 CYS- QB 5.00 #WEAK-MEDIUM 109 PHE QD 129 HIS HD2 3.30 #MEDIUM-WEAK 109 PHE QD 129 HIS HE1 3.30 #MEDIUM-WEAK 109 PHE QD 130 THR QG2 5.00 #WEAK added 4jun2 #109 PHE QE 110 GLU- HN 5.00 #VERY WEAK removed 4jun2 109 PHE QE 129 HIS HD2 5.00 #WEAK added 4jun2 109 PHE QE 130 THR HA 5.00 #WEAK added 4jun2 #109 PHE QE 130 THR HB 5.00 #WEAK bad orientation 109 PHE QE 130 THR QG2 3.30 #MEDIUM 109 PHE HZ 130 THR HA 5.00 #WEAK added 4jun2 109 PHE HZ 130 THR QG2 5.00 #WEAK added 4jun2 110 GLU- HA 111 ASN HN 2.70 #STRONG Type I turn 2.2 switch 13nov3 110 GLU- HA 112 CYS- HN 4.00 #MEDIUM Type I turn 3.6 switch 13nov3 111 ASN HN 112 CYS- HN 2.70 #STRONG Type I turn 2.4 111 ASN HN 113 GLY HN 5.00 #VERY WEAK S.D.? remove 12nov3 add 10feb4 112 CYS- HN 112 CYS- QB 2.70 #ORIENTATION 112 CYS- HN 113 GLY HN 3.30 #MEDIUM overlap remove 13nov3 add 24nov3 112 CYS- HN 113 GLY HA2 5.00 #WEAK 112 CYS- HA 114 LYS+ HN 5.00 #WEAK 114.hn -> 112.sg H-bond 112 CYS- HA 129 HIS HE1 5.00 #MEDIUM-WEAK relax 20nov3 112 CYS- QB 113 GLY HN 2.70 #STRONG relax 18nov3 tighten 24nov3 stereo from structure 5feb4 112 CYS- QB 114 LYS+ HN 3.30 #MEDIUM OVERLAP 114.qe stereo from structure 5feb4 112 CYS- QB 129 HIS HE1 3.30 #MEDIUM-WEAK stereo from structure 5feb4 #113 GLY HN 114 LYS+ HB2 5.00 #WEAK-MEDIUM rm 24nov3 #113 GLY HN 114 LYS+ HB3 5.00 #WEAK-MEDIUM weaker SD remove 12nov 114 LYS+ HN 116 PHE QE 5.00 #WEAK-MEDIUM S.D.? 114 LYS+ HN 116 PHE HZ 5.00 #WEAK-MEDIUM S.D.? 114 LYS+ HA 116 PHE QE 5.00 #WEAK 114 LYS+ HA 116 PHE HZ 5.00 #WEAK 114 LYS+ HB2 116 PHE QD 5.00 #WEAK 114 LYS+ HB2 116 PHE QE 5.00 #WEAK 114 LYS+ HB2 116 PHE HZ 5.00 #WEAK 114 LYS+ HB2 122 LEU QD1 5.00 #WEAK S.D.? 114 LYS+ HB2 125 HIS HE1 5.00 #WEAK 114 LYS+ HB3 116 PHE QD 5.00 #WEAK 114 LYS+ HB3 116 PHE QE 5.00 #WEAK 114 LYS+ HB3 116 PHE HZ 5.00 #WEAK 114 LYS+ HB3 122 LEU QD1 5.00 #WEAK 114 LYS+ HB3 125 HIS HE1 5.00 #WEAK 114 LYS+ HG2 116 PHE QD 5.00 #WEAK 114 LYS+ HG2 116 PHE QE 5.00 #WEAK 114 LYS+ HG2 116 PHE HZ 5.00 #WEAK 114 LYS+ HG2 125 HIS HE1 5.00 #WEAK-MEDIUM 114 LYS+ HG3 116 PHE QD 5.00 #WEAK 114 LYS+ HG3 116 PHE QE 5.00 #WEAK 114 LYS+ HG3 116 PHE HZ 5.00 #WEAK 114 LYS+ HG3 125 HIS HE1 5.00 #WEAK 114 LYS+ QD 116 PHE QD 5.00 #WEAK 114 LYS+ QD 116 PHE QE 5.00 #WEAK-MEDIUM 114 LYS+ QD 116 PHE HZ 5.00 #WEAK-MEDIUM 114 LYS+ QD 125 HIS HE1 3.30 #MEDIUM 114 LYS+ QE 116 PHE QD 5.00 #WEAK 114 LYS+ QE 116 PHE QE 3.30 #MEDIUM 114 LYS+ QE 116 PHE HZ 3.30 #MEDIUM 114 LYS+ QE 125 HIS HE1 3.30 #MEDIUM 115 ALA HN 116 PHE QD 5.00 #WEAK 115 ALA HN 116 PHE QE 5.00 #MEDIUM relax 8nov3 115 ALA HN 116 PHE HZ 5.00 #WEAK 115 ALA HA 116 PHE QD 5.00 #WEAK orientation of PHE 116 PHE HN 116 PHE QD 2.70 #STRONG orientation of PHE 116 PHE HA 118 LYS+ HN 5.00 #WEAK 116 PHE HB2 117 LYS+ HN 5.00 #MEDIUM relax 11nov3 116 PHE HB2 118 LYS+ HN 3.30 #MEDIUM #116 PHE HB2 121 GLN HB2 5.00 #TOO BROAD #116 PHE HB2 121 GLN HB3 5.00 #TOO BROAD #116 PHE HB2 122 LEU HB3 5.00 #TOO BROAD 116 PHE HB3 117 LYS+ HN 5.00 #MEDIUM relax 10nov3 116 PHE HB3 118 LYS+ HN 3.30 #MEDIUM #116 PHE HB3 121 GLN HB2 3.30 #TOO BROAD #116 PHE HB3 121 GLN HB3 5.00 #loosened 7aug00 #116 PHE HB3 121 GLN HG2 5.00 #TOO BROAD #116 PHE HB3 121 GLN HG3 5.00 #weak #116 PHE HB3 121 GLN HN 5.00 #overlap 119.ha 116 PHE HB3 122 LEU HN 5.00 #MEDIUM-WEAK 116 PHE QD 117 LYS+ HN 5.00 #WEAK 116 PHE QD 121 GLN HA 5.00 #WEAK-MEDIUM 116 PHE QD 121 GLN QB 5.00 #WEAK 116 PHE QD 121 GLN HG2 5.00 #WEAK 116 PHE QD 122 LEU HA 3.30 #MEDIUM 116 PHE QD 122 LEU HB2 5.00 #WEAK 116 PHE QD 122 LEU HB3 5.00 #WEAK 116 PHE QD 122 LEU QD1 3.30 #MEDIUM 116 PHE QE 122 LEU HA 5.00 #WEAK 116 PHE QE 122 LEU QD1 3.30 #MEDIUM 116 PHE QE 125 HIS HA 5.00 #WEAK 116 PHE QE 125 HIS HB3 5.00 #WEAK 116 PHE QE 125 HIS HB2 5.00 #WEAK 116 PHE QE 125 HIS HD2 5.00 #WEAK 116 PHE QE 125 HIS HE1 5.00 #WEAK 116 PHE HZ 122 LEU HA 5.00 #WEAK 116 PHE HZ 125 HIS HN 5.00 #WEAK overlap 129.hd2 116 PHE HZ 125 HIS HA 5.00 #WEAK 116 PHE HZ 125 HIS HB3 5.00 #WEAK 116 PHE HZ 125 HIS HB2 5.00 #WEAK 116 PHE HZ 125 HIS HD2 5.00 #WEAK overlap 129.hd2 116 PHE HZ 125 HIS HE1 5.00 #WEAK overlap 129.hd2 117 LYS+ HN 117 LYS+ QG 5.00 #MEDIUM rlx 30jan4 117 LYS+ HN 118 LYS+ HN 3.30 #MEDIUM 117 LYS+ HN 118 LYS+ HG3 5.00 #WEAK new 1dec3 117 LYS+ QB 118 LYS+ HN 3.30 #MEDIUM new 1dec3 #118 LYS+ HN 121 GLN HN 5.00 #OVERLAP 123.hn 118 LYS+ HN 121 GLN QB 3.30 #OVERLAP 117.qb new 1dec3 118 LYS+ HN 121 GLN HG3 3.30 #new 1dec3 118 LYS+ HN 121 GLN HE21 5.00 #new 1dec3 118 LYS+ HN 121 GLN HE22 5.00 #new 1dec3 #118 LYS+ HN 122 LEU HN 5.00 #OVERLAP 123.hn 118 LYS+ HA 119 HIS HN 2.70 #MEDIUM-STRONG tighten 24nov3 118 LYS+ HA 119 HIS HB3 5.00 #WEAK 24nov3 118 LYS+ HA 120 ASN HN 5.00 #WEAK 17nov3 #118 LYS+ QB 121 GLN HN 5.00 #WEAK remove 8nov3 #118 LYS+ QB 121 GLN QB 5.00 #VERY WEAK remove 8nov3 #118 LYS+ QB 121 GLN QG 5.00 #VERY WEAK remove 8nov3 #118 LYS+ HG2 121 GLN HN 5.00 #WEAK remove 8nov3 119 HIS HN 119 HIS HD2 5.00 #orientation of HIS add 11nov3 rlx 27aug4 #119 HIS HA 119 HIS HD2 2.70 #orientation of HIS remove 7nov3 119 HIS HA 122 LEU QD2 3.30 119 HIS HD2 120 ASN HN 5.00 #orientation of HIS? add 30aug4 #119 HIS HD2 122 LEU HB3 5.00 #spin diffusion? remove 7nov3 #119 HIS HD2 122 LEU QD2 3.30 #orientation of HIS remove 7nov3 119 HIS HE1 120 ASN HN 5.00 #orientation of HIS weak? add 30aug4 119 HIS HE1 120 ASN HD21 3.30 #orientation of HIS med add 11nov3 tighte 119 HIS HE1 120 ASN HD22 3.30 #orientation of HIS med add 11nov3 tighte #120 ASN HN 120 ASN HD21 3.30 #10feb4 rm 2aug4 #120 ASN HN 120 ASN HD22 3.30 #10feb4 rm 2aug4 #120 ASN HD21 121 GLN HN 5.00 #10feb4 #120 ASN HD22 121 GLN HN 5.00 #10feb4 #121 GLN HN 121 GLN HG3 2.70 #fix chi angles rm 2aug4 122 LEU HA 122 LEU QD1 2.70 #orientation of LEU 122 LEU HA 125 HIS HD2 5.00 122 LEU HB3 123 LYS+ HN 2.70 #orientation of LEU 122 LEU HG 126 GLN HG2 5.00 122 LEU HG 126 GLN HN 5.00 122 LEU HG 126 GLN HE21 5.00 122 LEU HG 126 GLN HE22 5.00 122 LEU QD1 125 HIS HD2 3.30 #MEDIUM 122 LEU QD1 126 GLN HN 5.00 122 LEU QD1 126 GLN HG2 3.30 122 LEU QD1 126 GLN HG3 5.00 122 LEU QD1 126 GLN HE21 3.30 122 LEU QD1 126 GLN HE22 3.30 124 VAL HN 124 VAL QG2 2.70 #ORIENTATION of sidechain 124 VAL HA 127 PHE QD 3.30 #FLEXIBILITY????? tighten 18nov3 124 VAL HB 125 HIS HN 2.70 #ORIENTATION of sidechain 124 VAL QG1 125 HIS HN 3.30 #ORIENTATION of sidechain 124 VAL QG1 127 PHE HN 5.00 #ORIENTATION of sidechain #124 VAL QG1 127 PHE QD 5.00 #FLEXIBILITY????? rm 3dec3 124 VAL QG2 125 HIS HN 5.00 #ORIENTATION of sidechain 124 VAL QG2 127 PHE QE 3.30 #FLEXIBILITY????? tighten 18nov3 QE 3dec3 125 HIS HA 125 HIS HB2 2.70 #CONFIRMED chi-1 125 HIS HB3 125 HIS HD2 2.70 #CONFIRMED chi-2 125 HIS HD2 126 GLN HN 5.00 #med? 125 HIS HD2 126 GLN HA 5.00 125 HIS HD2 126 GLN HG2 3.30 125 HIS HD2 126 GLN HG3 3.30 125 HIS HD2 129 HIS HD2 5.00 #WEAK SD 126 GLN HN 129 HIS HD2 5.00 #WEAK 126 GLN HA 129 HIS HD2 2.70 126 GLN HA 130 THR QG2 5.00 #WEAK-MEDIUM linker C-cap 126 GLN HB2 129 HIS HD2 5.00 126 GLN HB2 130 THR QG2 5.00 #WEAK linker C-cap 126 GLN HB3 129 HIS HD2 5.00 126 GLN HB3 130 THR QG2 3.30 #WEAK-MEDIUM linker C-cap 126 GLN HG3 129 HIS HD2 3.30 126 GLN HE21 129 HIS HD2 5.00 #WEAK 127 PHE HN 130 THR HG1 5.00 #WEAK linker C-cap 127 PHE HA 130 THR HG1 2.70 #linker C-cap 127 PHE HA 130 THR QG2 3.30 #MED-WEAK linker C-cap 127 PHE HB2 132 GLN HE21 3.30 #MED 21jul4 127 PHE HB2 132 GLN HE22 5.00 #WEAK 21jul4 127 PHE HB3 132 GLN HE21 3.30 #MED 21jul4 127 PHE HB3 132 GLN HE22 5.00 #WEAK 21jul4 127 PHE QD 128 SER HA 5.00 #WEAK 127 PHE QD 128 SER HB2 5.00 #WEAK SD? 127 PHE QD 128 SER HB3 5.00 #WEAK SD? 127 PHE QD 131 GLN HN 5.00 #MEDIUM-WEAK 127 PHE QD 131 GLN HA 5.00 #WEAK 21jul4 127 PHE QD 132 GLN HN 3.30 #MEDIUM-STRONG 127 PHE QD 132 GLN QB 5.00 #WEAK flexible 127 PHE QD 132 GLN QG 5.00 #WEAK flexible 127 PHE QE 131 GLN HA 5.00 #WEAK 21jul4 127 PHE QE 131 GLN QG 5.00 #MEDIUM but FLEXIBLE!!! QE 3dec3 128 SER HN 129 HIS HD2 5.00 #WEAK 128 SER HA 131 GLN HE21 3.30 #MED 7jul4 128 SER HA 131 GLN HE22 5.00 #MED 21jul4 129 HIS HN 129 HIS HD2 3.30 #MEDIUM-STRONG 3.0A 129 HIS HN 130 THR HG1 5.00 #WEAK linker C-cap 129 HIS HN 130 THR QG2 5.00 #MEDIUM but SD 129 HIS HA 131 GLN HE21 5.00 #WEAK 7jul4 129 HIS HA 131 GLN HE22 5.00 #WEAK 7jul4 129 HIS HB2 129 HIS HD2 2.70 #MEDIUM-STRONG 129 HIS HD2 130 THR HN 5.00 #WEAK 129 HIS HD2 130 THR QG2 5.00 #WEAK linker C-cap 130 THR HN 130 THR HG1 2.70 #STRONG chi-1 130 THR HN 131 GLN HA 5.00 #S.D. ??? 130 THR HN 132 GLN HN 5.00 #WEAK-MEDIUM 130 THR HA 132 GLN HG2 5.00 #WEAK 130 THR HA 132 GLN HG3 5.00 #WEAK 130 THR HB 132 GLN HN 3.30 #MEDIUM overlap 130.ha 130 THR HB 132 GLN HB2 5.00 #WEAK 130 THR HB 132 GLN HB3 5.00 #WEAK 130 THR HB 132 GLN HG2 3.30 #MEDIUM-WEAK loosen 4jun2 adj 21jul4 130 THR HB 132 GLN HG3 3.30 #MEDIUM-WEAK loosen 4jun2 adj 21jul4 130 THR HB 132 GLN HE21 3.30 #WEAK 8jul4 adj 21jul4 130 THR HB 132 GLN HE22 5.00 #WEAK 8jul4 130 THR HG1 131 GLN HN 3.30 #MEDIUM C-cap 130 THR HG1 132 GLN HN 2.70 #STRONG C-cap H-BOND VERY IMPORTANT!! 130 THR HG1 132 GLN HE21 5.00 #WEAK 130 THR HG1 132 GLN HE22 5.00 #WEAK 130 THR QG2 132 GLN HN 5.00 #WEAK 21jul4 #130 THR QG2 132 GLN HB2 5.00 #WEAK SD removed 4jun2 #130 THR QG2 132 GLN HB3 5.00 #WEAK SD removed 4jun2 130 THR QG2 132 GLN HG2 5.00 #WEAK-MEDIUM removed 4jun2 add 7jul4 130 THR QG2 132 GLN HG3 5.00 #WEAK-MEDIUM removed 4jun2 add 7jul4 130 THR QG2 132 GLN HE21 3.30 #MED 7jul4 130 THR QG2 132 GLN HE22 5.00 #MED 7jul4 rlx 21jul4 131 GLN HN 132 GLN HN 3.30 #MEDIUM-STRONG #======================================== # InterFinger NOEs Zinc Fingers 4 to 5 #======================================== 121 GLN HA 148 LEU QD2 5.00 #MEDIUM 3DC return 1dec3 121 GLN HA 135 TYR QE 6.00 #VERY WEAK new 2dec3 rlx 20jul4 121 GLN QB 148 LEU QD2 5.00 #MEDIUM-WEAK new 2dec3 124 VAL HA 135 TYR QD 5.00 #MEDIUM remove 8nov3 weak relax 9nov3 124 VAL HA 135 TYR QE 3.30 #WEAK keep 8nov3 MEDIUM? 18nov3 124 VAL HA 148 LEU QD2 5.00 #WEAK 4DCC MED 3DC 124 VAL HB 148 LEU QD2 5.00 #MED-WEAK 3DC 124 VAL QG2 135 TYR QD 5.00 #WEAK 3DC 124 VAL QG2 135 TYR QE 3.30 #MEDIUM 4DCC 124 VAL QG2 148 LEU HA 5.00 #WEAK 3DC 124 VAL QG2 148 LEU HG 5.00 #WEAK 3DC 124 VAL QG2 148 LEU QD1 3.30 #MEDIUM 4DCC 124 VAL QG2 148 LEU QD2 2.70 #STRONG 4DCC 124 VAL QG2 149 PRO HD2 3.30 #MEDIUM 3DC 124 VAL QG2 149 PRO HD3 5.00 #WEAK 3DC 124 VAL QG1 135 TYR QE 5.00 #WEAK 3DC 124 VAL QG1 148 LEU HA 5.00 #WEAK 3DC 124 VAL QG1 148 LEU HG 5.00 #WEAK 3DC 124 VAL QG1 148 LEU QD1 3.30 #MEDIUM 124 VAL QG1 148 LEU QD2 2.70 #STRONG #127 PHE HN 133 LEU HG 5.00 #MAYBE? 127 PHE HA 133 LEU QD2 6.00 #WEAK loosen 3nov3 tighten 18nov3 127 PHE QD 133 LEU HA 5.00 #WEAK 127 PHE QE 133 LEU HG 3.30 #MEDIUM 127 PHE QE 133 LEU QD1 3.30 #MEDIUM 127 PHE QE 133 LEU QD2 2.70 #STRONG 127 PHE QD 134 PRO HA 6.00 #WEAK 127 PHE QD 134 PRO HB3 5.00 #WEAK 127 PHE QD 134 PRO QD 5.00 #WEAK 127 PHE QD 147 SER HA 5.00 #WEAK 127 PHE QD 147 SER HB2 5.00 #WEAK 127 PHE QD 147 SER HB3 5.00 #WEAK 132 GLN HN 133 LEU HN 5.00 #WEAK-MED 7jul4 132 GLN HA 133 LEU HN 2.70 #STRONG define psi 132 GLN HE21 133 LEU HN 5.00 #WEAK 7jul4 132 GLN HE22 133 LEU HN 5.00 #WEAK 7jul4 132 GLN HE22 134 PRO HB3 5.00 #WEAK 21jul4 132 GLN HE21 134 PRO HD3 5.00 #WEAK 8jul4 132 GLN HE22 134 PRO HD3 5.00 #WEAK 8jul4 #======================================== # ZINC FINGER 5 #---------------------------------------- # Beta Sheet # >-Y135-E136-C137-> # <-F146-R145-K144-< #------------------------------anti--para #--Ha(i)->HN(i+1)--------------2.20--2.20 135 TYR HA 136 GLU- HN 2.70 #CONFIRMED 136 GLU- HA 137 CYSZ HN 2.70 #CONFIRMED #137 CYSZ HA 138 PRO HD2 2.70 #TOO WEAK #137 CYSZ HA 138 PRO HD3 2.70 #TOO WEAK 144 LYS+ HA 145 ARG+ HN 2.70 #CONFIRMED 145 ARG+ HA 146 PHE HN 2.70 #CONFIRMED 146 PHE HA 147 SER HN 2.70 #CONFIRMED #--Ha(i)->Ha(j)--cross-sheet---2.30--4.80 136 GLU- HA 145 ARG+ HA 2.70 #CONFIRMED #138 PRO HA 143 ASP- HA 2.70 #N.O. #--Ha(i)->HN(j+1)--cross-sheet-3.20--3.00 136 GLU- HA 146 PHE HN 3.30 #CONFIRMED #138 PRO HA 144 LYS+ HN 3.30 #??? 145 ARG+ HA 137 CYSZ HN 3.30 #CONFIRMED 147 SER HA 135 TYR HN 5.00 #CONFIRMED loosen 3nov3 #--Ha(i)->HN(j-1)--cross-sheet- #136 GLU- HA 144 LYS+ HN 5.00 #OVERLAP 142.ha #143 ASP- HA 137 CYSZ HN 5.00 #N.O. 145 ARG+ HA 135 TYR HN 5.00 #CONFIRMED #--HN(i)->HN(j)--cross-sheet---3.30--4.00 135 TYR HN 146 PHE HN 5.00 #CONFIRMED 137 CYSZ HN 144 LYS+ HN 5.00 #WEAK #**************************************** #--HBONDS--cross-sheet #**************************************** #135 TYR HN 146 PHE O 2.00 #NEW in 5S46 #135 TYR N 146 PHE O 3.00 137 CYSZ HN 144 LYS+ O 2.00 137 CYSZ N 144 LYS+ O 3.00 #144 LYS+ HN 137 CYSZ O 2.00 #missing 137.hn->144.hn #144 LYS+ N 137 CYSZ O 3.00 # and 138.ha->144.hn 146 PHE HN 135 TYR O 2.00 146 PHE N 135 TYR O 3.00 #---------------------------------------- # Alpha Helix # >-L148--L152--E156--A150-> # P149--K153--K157 # S150--R154--V158 # R151--H155--H159 # Zn #------------------------------alph--3-10 #--HN(i)->HN(i+1)--------------2.80--2.60 #149 PRO QD 150 SER HN 3.00 #OVERLAP 149.ha & 150.hb3 150 SER HN 151 ARG+ HN 3.00 #CONFIRMED 151 ARG+ HN 152 LEU HN 3.00 #CONFIRMED 152 LEU HN 153 LYS+ HN 3.00 #CONFIRMED 153 LYS+ HN 154 ARG+ HN 3.00 #OVERLAP 155.hn & 155.n #154 ARG+ HN 155 HIS HN 3.00 #OVERLAP 155.hn & 155.n 155 HIS HN 156 GLU- HN 3.00 #OVERLAP 154.hn & 154.n 156 GLU- HN 157 LYS+ HN 3.00 #CONFIRMED 157 LYS+ HN 158 VAL HN 3.00 #CONFIRMED 158 VAL HN 159 HIS HN 3.00 #CONFIRMED 159 HIS HN 160 ALA HN 3.00 #CONFIRMED 160 ALA HN 161 GLY HN 3.00 #CONFIRMED #--HN(i)->HN(i+2)--------------4.20--4.10 #149 PRO QD 151 ARG+ HN 5.00 #OVERLAP 151.qd 150.hb3 150 SER HN 152 LEU HN 5.00 #CONFIRMED 151 ARG+ HN 153 LYS+ HN 5.00 #CONFIRMED 152 LEU HN 154 ARG+ HN 5.00 #OVERLAP 155.hn & 155.n #153 LYS+ HN 155 HIS HN 5.00 #OVERLAP 155.hn & 155.n #154 ARG+ HN 156 GLU- HN 5.00 #OVERLAP 155.hn & 155.n 155 HIS HN 157 LYS+ HN 5.00 #CONFIRMED 156 GLU- HN 158 VAL HN 5.00 #CONFIRMED 157 LYS+ HN 159 HIS HN 5.00 #CONFIRMED 158 VAL HN 160 ALA HN 5.00 #CONFIRMED 159 HIS HN 161 GLY HN 5.00 #CONFIRMED #--Ha(i)->HN(i+2)--------------4.40--3.80 #149 PRO HA 151 ARG+ HN 5.00 #OVERLAP 151.qd #150 SER HA 152 LEU HN 5.00 #OVERLAP 151.ha #151 ARG+ HA 153 LYS+ HN 5.00 #OVERLAP 153.ha #152 LEU HA 154 ARG+ HN 5.00 #OVERLAP 154.qd #153 LYS+ HA 155 HIS HN 5.00 #OVERLAP 154.ha 154 ARG+ HA 156 GLU- HN 5.00 #SHOULDER 155 HIS HA 157 LYS+ HN 5.00 #CONFIRMED 156 GLU- HA 158 VAL HN 5.00 #CONFIRMED #157 LYS+ HA 159 HIS HN 5.00 #OVERLAP 158.ha #158 VAL HA 160 ALA HN 5.00 #OVERLAP 161.ha1 157.ha #159 HIS HA 161 GLY HN 5.00 #OVERLAP 160.ha #160 ALA HA 162 TYR HN 5.00 #OVERALP ? #--Ha(i)->HN(i+3)--------------3.40--3.30 #149 PRO HA 152 LEU HN 3.50 #OVERLAP 152.ha #150 SER HA 153 LYS+ HN 3.50 #OVERLAP 153.ha #151 ARG+ HA 154 ARG+ HN 3.50 #OVERALP 154.ha #152 LEU HA 155 HIS HN 3.50 #OVERALP 152.hb2 153 LYS+ HA 156 GLU- HN 3.50 #CONFIRMED 154 ARG+ HA 157 LYS+ HN 3.50 #SHOULDER 155 HIS HA 158 VAL HN 3.50 #SHOULDER 156 GLU- HA 159 HIS HN 3.50 #CONFIRMED 157 LYS+ HA 160 ALA HN 3.50 #OVERLAP 161.ha1 #158 VAL HA 161 GLY HN 5.00 #OVERLAP 161.ha1 #--Ha(i)->HN(i+4)--------------4.20 #149 PRO HA 153 LYS+ HN 5.00 #OVERLAP 152.ha #150 SER HA 154 ARG+ HN 5.00 #OVERLAP 154.ha #151 ARG+ HA 155 HIS HN 5.00 #OVERLAP 154.ha 152 LEU HA 156 GLU- HN 5.00 #CONFIRMED #153 LYS+ HA 157 LYS+ HN 5.00 #OVERLAP 157.ha #154 ARG+ HA 158 VAL HN 5.00 #OVERLAP 158.ha #155 HIS HA 159 HIS HN 5.00 #OVERLAP 159.ha 156 GLU- HA 160 ALA HN 5.00 #OVERLAP 161.ha2 #157 LYS+ HA 161 GLY HN 5.00 #OVERLAP 161.ha1 #--Ha(i)->Hb(i+3)--------------2.5-4.4--3.1-5.1 149 PRO HA 152 LEU HB2 3.30 #CONFIRMED WEAK but comparable to 152.ha 149 PRO HA 152 LEU HB3 3.30 #CONFIRMED WEAK but comparable to 152.ha 150 SER HA 153 LYS+ QB 3.30 #CONFIRMED OVERLAP 153.ha 151 ARG+ HA 154 ARG+ HB2 3.30 #CONFIRMED OVERLAP 154.ha 151 ARG+ HA 154 ARG+ HB3 3.30 #CONFIRMED OVERLAP 154.ha 152 LEU HA 155 HIS HB2 3.30 #CONFIRMED OVERLAP 125.hb2 152 LEU HA 155 HIS HB3 3.30 #CONFIRMED OVERLAP 125.hb3 153 LYS+ HA 156 GLU- QB 3.30 #CONFIRMED #154 ARG+ HA 157 LYS+ QB 3.30 #157.qb IS UNASSIGNED 155 HIS HA 158 VAL HB 5.00 #CONFIRMED MED-WEAK rlx 9jul4 156 GLU- HA 159 HIS QB 3.30 #CONFIRMED MED-WEAK 157 LYS+ HA 160 ALA QB 3.30 #CONFIRMED #**************************************** #--HBONDS--alpha-helix #**************************************** #152 LEU HN 148 LEU O 2.00 #NO #152 LEU N 148 LEU O 3.00 #NO 153 LYS+ HN 149 PRO O 2.00 153 LYS+ N 149 PRO O 3.00 154 ARG+ HN 150 SER O 2.00 154 ARG+ N 150 SER O 3.00 155 HIS HN 151 ARG+ O 2.00 155 HIS N 151 ARG+ O 3.00 156 GLU- HN 152 LEU O 2.00 156 GLU- N 152 LEU O 3.00 #157 LYS+ HN 153 LYS+ O 2.00 #MISSING 153.ha>157.hn #157 LYS+ N 153 LYS+ O 3.00 #MISSING 153.ha>157.hn #158 VAL HN 154 ARG+ O 2.00 #MISSING 154.ha>158.hn #158 VAL N 154 ARG+ O 3.00 #MISSING 154.ha>158.hn #159 HIS HN 155 HIS O 2.00 #MISSING 155.ha>159.hn #159 HIS N 155 HIS O 3.00 #MISSING 155.ha>159.hn #160 ALA HN 156 GLU- O 2.00 #156.ha>160.hn #160 ALA N 156 GLU- O 3.00 #156.ha>160.hn #161 GLY HN 157 LYS+ O 2.00 #MISSING 157.ha>161.hn #161 GLY N 157 LYS+ O 3.00 #MISSING 157.ha>161.hn
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