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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24523 |
2k33   |
15737 | cing | 1-original | 3 | DYANA/DIANA | distance | NOE | simple |
#NOE restraints Intra Carb ###################################################################### #BAC 1 Intra 201 BAC3 H1 201 BAC3 Q2 5.5 # Bac1H1-QAc2 6 201 BAC3 H1 201 BAC3 HN2 4.5 # Bac1H1-HN2 18 ov. HN4 201 BAC3 H2 201 BAC3 HN2 4.5 # Bac1H2-HN2 17 ov. HN4, ov. H3 201 BAC3 H3 201 BAC3 HN2 4.5 # Bac1H2-HN2 15 ov. HN4, ov. H3 201 BAC3 H3 201 BAC3 Q4 5.5 # Bac1H5-QAc4 7 201 BAC3 H5 201 BAC3 Q4 5.5 # Bac1H5-QAc4 6 201 BAC3 H5 201 BAC3 HN4 4.0 # Bac1H5-HN4 28,19 201 BAC3 Q4 201 BAC3 Q6 3.5 # Bac1H6-QAc4 53 (two methyls) 201 BAC3 Q6 201 BAC3 HN4 3.8 # Bac1H6-HN4 31, 21 201 BAC3 Q2 201 BAC3 HN2 3.5 # Bac1Q2-HN2 36, 20 201 BAC3 Q4 201 BAC3 HN4 3.0 # Bac1Q4-HN4 64, 43 # Inter 201 BAC3 H2 202 AGN4 H1 4.5 # increased Gna2H1-Bac1H2 ov. H3 21 201 BAC3 H3 202 AGN4 H1 4.0 # Bac1H3-Gna2H1 ov. H2 23 201 BAC3 H4 202 AGN4 H1 4.5 # Bac1H4-Gna2H1 26 ov. 8 201 BAC3 H5 202 AGN4 H1 5.0 # Bac1H5-Gna2H1 11 201 BAC3 Q2 202 AGN4 H1 5.0 # Gna2H1-Bac1QAc2 11, 8 201 BAC3 Q2 202 AGN4 H4 4.0 # Gna2H4-Bac1QAc2 23 201 BAC3 Q2 202 AGN4 H5 3.2 # Gna2H5-Bac1QAc2 86, 59 ov. H3/H5 201 BAC3 Q2 202 AGN4 H61 3.5 # Gna2H6-Bac1QAc2 42 201 BAC3 Q2 202 AGN4 H62 4.0 # Gna2H6'-Bac1QAc2 26 201 BAC3 Q4 202 AGN4 H1 4.0 # Gna2H1-Bac1QAc4 29 201 BAC3 Q4 202 AGN4 H2 5.5 # Gna2H2-Bac1QAc4 8 201 BAC3 Q4 202 AGN4 HN2 5.5 # 5 201 BAC3 Q6 202 AGN4 H1 5.0 # Bac1H6-Gna2H1 12 201 BAC3 HN4 202 AGN4 H1 3.0 # Gna2H1-Bac1HN4 51 #201 BAC3 HN4 202 AGN4 H2 # overlap GalNAcH2-Bac1 H2 201 BAC3 HN4 202 AGN4 H3 4.8 # Gna2H3-Bac1HN4 17 #201 BAC3 HN2 202 AGN4 H3 # Gna2H3-Bac1HN2 10 ov. H3/H5 201 BAC3 HN2 202 AGN4 H5 5.0 # Gna2H5-Bac1HN2 10 ov. H3/H5 #201 BAC3 HN4 202 AGN4 HN2 6.0 # Gna2HN-Bac1HN2 5 ??? 201 BAC3 Q2 203 AGN4 H1 5.0 # 11,11 NEW MARIO pink ###################################################################### #GalNAc 2 Intra H3/H5 ov. 202 AGN4 H1 202 AGN4 HN2 4.5 # Gna2H1-HN 18 202 AGN4 H2 202 AGN4 Q2 5.0 # Gna2H2-QAc 11 202 AGN4 H2 202 AGN4 HN2 3.5 # Gna2H2-HN 45 202 AGN4 H3 202 AGN4 HN2 3.5 # Gna2H3-HN 46 ov. H3/H5 202 AGN4 H4 202 AGN4 H61 4.0 # Gna2H4-H6 25 202 AGN4 H4 202 AGN4 H62 3.5 # Gna2H4-H6' 39 202 AGN4 H5 202 AGN4 H61 2.8 # increased Gna2H6-H5 113 close to diag.,68 202 AGN4 H5 202 AGN4 H62 2.8 # Gna2H6'-H5 93,55 #Inter 202 AGN4 H2 203 AGN4 H5 4.0 # Gna3H5-Gna2H2 40 ol 202 AGN4 H3 203 AGN4 H5 5.5 # Gna2H3-Gna3H5 8 202 AGN4 H3 203 AGN4 HN2 5.5 # 6 202 AGN4 H4 203 AGN4 H1 2.4 # Gna3H1-Gna2H4 143 202 AGN4 H4 203 AGN4 H2 4.6 # increased Gna2H4-Gna3H2 34 ov. 202 AGN4 H5 203 AGN4 H1 3.8 # increased Gna2H5-Gna3H1 47, 32 ov. H3 202 AGN4 H5 203 AGN4 HN2 6.0 # 4 overlap H3/H5 202 AGN4 H61 203 AGN4 H1 3.0 # increased Gna2H6-Gna3H1 50 202 AGN4 H61 203 AGN4 Q2 4.0 # Gna2H6-Gna3QAc 28 202 AGN4 H61 203 AGN4 HN2 4.0 # Gna2H6-Gna3HN 26, 18 202 AGN4 H62 203 AGN4 H1 3.0 # increased Gna2H6'-Gna3H1 78, 39 202 AGN4 H62 203 AGN4 Q2 4.0 # Gna2H6'-Gna3QAc 23 202 AGN4 H62 203 AGN4 HN2 4.0 # increased Gna2H6'-Gna3HN 36, 24 ov. ###################################################################### #GalNAc 3 Intra 203 AGN4 H1 203 AGN4 Q2 5.2 # Gna3H1-QAc 9 203 AGN4 H1 203 AGN4 HN2 5.0 # Gna3H1-HN 28 ov. 203 AGN4 H2 203 AGN4 Q2 5.0 # Gna3H2-QAc 10 203 AGN4 H2 203 AGN4 HN2 4.0 # Gna3H2-HN 27, 19 203 AGN4 H3 203 AGN4 HN2 3.5 # 43 ok 203 AGN4 H4 203 AGN4 H61 3.5 # Gna3H6-H4 38 203 AGN4 H4 203 AGN4 H62 3.8 # Gna3H6'-H4 33 203 AGN4 H5 203 AGN4 HN2 5.5 # 9 203 AGN4 H5 203 AGN4 H61 2.8 # Gna3H6-H5 96 203 AGN4 H5 203 AGN4 H62 3.2 # Gna3H6'-H5 87,63 #Inter #203 AGN4 H1 204 AG34 H5 5.5 # increased Gna4H5-Gna3H1 17,18 not so sure spin diff? 203 AGN4 H2 204 AG34 H5 3.5 # Gna4H5-Gna3H2 42 203 AGN4 H3 204 AG34 H1 5.0 # Gna4H1-Gna3H3 69 ov. H4 shoulder 203 AGN4 H4 204 AG34 H1 2.6 # Gna3H4-Gna4H1 183 203 AGN4 H5 204 AG34 H1 3.8 # Gna3H5-Gna4H1 40, 41,33 203 AGN4 H61 204 AG34 H1 3.0 # increase Gna3H6-Gna4H1 120,51 203 AGN4 H61 204 AG34 Q2 3.8 # Gna3H6-Gna4QAc 38,35 203 AGN4 H61 204 AG34 HN2 4.0 # Gna3H6-Gna4HN 39,23, 11 203 AGN4 H62 204 AG34 H1 3.0 # increased Gna3H6'-Gna4H1 140,54 203 AGN4 H62 204 AG34 Q2 3.8 # Gna4QAc-Gna3H6' 16, 35 203 AGN4 H62 204 AG34 HN2 4.0 # Gna3H6'-Gna4HN 33, 22/11 ###################################################################### #GalNAc 4 Intra 204 AG34 H1 204 AG34 Q2 5.0 # Gna4H1-QAc 12 204 AG34 H1 204 AG34 HN2 3.5 # Gna4H1-HN 40 #204 AG34 H2 204 AG34 Q2 5.5 # Gna4QAc-H2 6 #ov. Glc5' H1 204 AG34 H2 204 AG34 HN2 2.8 # Gna4H2-HN 139,91 204 AG34 H3 204 AG34 HN2 3.0 # Gna4H3-HN 58, 41 204 AG34 H4 204 AG34 H61 4.0 # Gna4H6-H4 27 204 AG34 H4 204 AG34 H62 3.8 # Gna4H6'-H4 37 204 AG34 H4 204 AG34 HN2 5.5 # 9 204 AG34 H4 204 AG34 H62 3.8 # Gna4H6'-H4 35 204 AG34 H5 204 AG34 H61 3.2 # Gna4H6-H5 73 204 AG34 H5 204 AG34 H62 3.2 # Gna4H6'-H5 74 #Inter 204 AG34 H1 205 AGN4 HN2 5.5 # 5 very weak, real peak? NEW MARIO pink 204 AG34 H4 205 AGN4 H1 2.6 # Gna4H4-Gna5H1 133 204 AG34 H5 205 AGN4 H1 4.0 # increased Gna4H5-Gna5H1 27,19 204 AG34 H61 205 AGN4 H1 3.5 # Gna4H6-Gna5H1 65,41 204 AG34 H61 205 AGN4 H2 5.0 # Gna4H6-Gna5H2 17 #204 AG34 H2 205 AGN4 HN2 # ov. GalNAc4 H2-Glc5' H1 204 AG34 H61 205 AGN4 HN2 5.0 # Gna4H6-Gna5HN 15 204 AG34 H62 205 AGN4 H1 2.8 # dincreased Gna4H6'-Gna5H1 118, 66 204 AG34 H62 205 AGN4 H2 5.0 # Gna4H6'-Gna5H2 11 204 AG34 H62 205 AGN4 Q2 5.0 # 204 AG34 H62 205 AGN4 HN2 5.0 # Gna4H6'-Gna5HN 24, 18 ov. 204 AG34 H3 300 GLB H1 2.6 # Gna4H3-GlcH1 163 204 AG34 H4 300 GLB H1 4.0 # Gna4H4-GlcH1 26 ov. GalNAc4 H2 #204 AG34 H5 300 GLB H1 5.0 # increased Gna4H5-GlcH1 48ov. GalNAc4 H2 #204 AG34 Q2 300 GLB H1 5.0 # GlcH1-Gna4QAc 16ov. GalNAc4 H2 ###################################################################### #GalNAc 5 Intra 205 AGN4 H1 205 AGN4 Q2 5.5 # Gna5H1-QAc 9 205 AGN4 H1 205 AGN4 HN2 4.0 # Gna5H1-HN 20 205 AGN4 H2 205 AGN4 Q2 5.0 # Gna5H2-QAc 10 205 AGN4 H2 205 AGN4 HN2 3.8 # Gna5H2-HN 35 205 AGN4 H3 205 AGN4 HN2 3.0 # Gna5H3-HN 49 205 AGN4 H4 205 AGN4 H61 4.0 # Gna5H6-H4 33,12 205 AGN4 H4 205 AGN4 H62 3.8 # Gna5H6'-H4 28 ov. 205 AGN4 H4 205 AGN4 HN2 5.5 # Gna5H4-HN 9 205 AGN4 H5 205 AGN4 H61 3.5 # Gna5H6-H5 123ov.,47 205 AGN4 H5 205 AGN4 H62 3.5 # Gna5H6'-H5 43,30 #Inter 205 AGN4 H2 206 AGN4 H3 5.0 # 34 ov. 205 AGN4 H2 206 AGN4 H5 5.0 # close to diagonal 205 AGN4 H4 206 AGN4 H1 2.6 # Gna6H1-Gna5H4 163 205 AGN4 H5 206 AGN4 H1 4.0 # Gna5H5-Gna6H1 20 205 AGN4 H61 206 AGN4 H1 4.0 # Gna5H6-Gna6H1 29,18 205 AGN4 H61 206 AGN4 Q2 5.0 #13,14 205 AGN4 H61 206 AGN4 HN2 5.0 # Gna5H6-Gna6HN 17 205 AGN4 H62 206 AGN4 H1 3.5 # Gna5H6'-Gna6H1 29 205 AGN4 H62 206 AGN4 Q2 4.0 #21,23 205 AGN4 H62 206 AGN4 HN2 4.0 # Gna5H6'-Gna6HN 24, 16 205 AGN4 H5 300 GLB H2 3.5 # increased Gna5H5-GlcH2 46 205 AGN4 H61 300 GLB H2 4.0 # Gna5H6-GlcH2 38 205 AGN4 H61 300 GLB H4 5.0 # Gna5H6-GlcH4 16 weird peak 205 AGN4 H62 300 GLB H4 5.0 # 16,8 205 AGN4 H62 300 GLB H2 5.0 # increased Gna5H6'-GlcH2 15,11 #205 AGN4 HN2 300 GLB H1 5.0 # GlcH1-Gna5HN 11 ov. GalNAc4 H2 ###################################################################### #GalNAc 6 Intra 206 AGN4 H1 206 AGN4 Q2 5.5 # Gna6H1-QAc 8 206 AGN4 H1 206 AGN4 HN2 5.5 # Gna6H1-HN 13 206 AGN4 H2 206 AGN4 HN2 4.8 # Gna6H2-HN 16 weird peak 206 AGN4 H3 206 AGN4 HN2 3.5 # Gna6H3-HN 39 ###################################################################### #Glc 5' Intra 300 GLB H1 300 GLB H3 2.8 # 58 300 GLB H1 300 GLB H5 2.8 # 67 300 GLB H4 300 GLB H61 4.0 # GlcH4-H6 30,31 300 GLB H4 300 GLB H62 3.8 # GlcH6'-H4 34 300 GLB H5 300 GLB H61 3.2 # GlcH6-H5 50 300 GLB H5 300 GLB H62 3.5 # GlcH6'-H5 38 # Protein-Glycan restraints #Carbohydrate-protein config 42 ASX CG 201 BAC3 C1 2.42 1.00E+2 42 ASX ND2 201 BAC3 C1 1.42 1.00E+2 42 ASX HD21 201 BAC3 C1 1.99 1.00E+2 42 ASX ND2 201 BAC3 H1 1.99 1.00E+2 42 ASX ND2 201 BAC3 C2 2.40 1.00E+2 42 ASX ND2 201 BAC3 O5 2.37 1.00E+2 42 ASX OD1 201 BAC3 C1 2.80 1.00E+2 42 ASX CB 201 BAC3 C1 3.74 1.00E+2 #NOE restraints intermolecular # 41 PHE HA 201 BAC3 Q2 4.0 41 PHE HB2 201 BAC3 Q2 4.5 # S/N 21 42 ASX HA 201 BAC3 Q2 4.5 # S/N 24 42 ASX HB2 201 BAC3 H1 5.5 42 ASX HB2 201 BAC3 Q2 5.3 # S/N 14 42 ASX HB3 201 BAC3 H1 5.5 42 ASX HB3 201 BAC3 Q2 5.3 # S/N 15 42 ASX HB2 42 ASX HD21 4.6 42 ASX HB3 42 ASX HD21 4.6 42 ASX HD21 201 BAC3 H1 3.0 42 ASX HD21 201 BAC3 H2 3.0 45 LYS QB 201 BAC3 Q6 5.0 # S/N 12 45 LYS QD 201 BAC3 Q6 5.0 # S/N 16 45 LYS QE 201 BAC3 Q6 4.0 # S/N 24 45 LYS QE 201 BAC3 H5 6.0 # S/N 6 39 LYS HA 201 BAC3 Q2 4.0 # S/N 25 39 LYS QB 201 BAC3 Q2 4.0 # S/N 25 39 LYS QG 201 BAC3 Q2 5.0 # S/N 15 39 LYS QD 201 BAC3 Q2 4.0 # S/N 23 39 LYS QE 201 BAC3 Q2 5.0 # S/N 12 #either S44 or 44 SER QB 201 BAC3 Q6 3.0 # S/N 80 44 SER QB 201 BAC3 Q2 5.0 # S/N 14 44 SER QB 201 BAC3 Q4 6.0 # S/N 7 44 SER QB 201 BAC3 H5 3.5 # S/N 45 44 SER QB 201 BAC3 H1 3.2 # S/N 64 44 SER QB 202 AGN4 H1 6.0 # S/N 6
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