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Heparan-sulfate 6-O-sulfotransferase

6-O-sulfation enzyme which catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to position 6 of the N-sulfoglucosamine residue (GlcNS) of heparan sulfate.

AlphaFold DB (A0A803Y193), UniProt , Accession A0A093HI10, Species STRCA (Struthio camelus australis), Gene n/a, Length 236 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1R79Confident95.8Very high277 Ų277108.2 Ų108.2100%1.04547%0.468SS*.  0140.80-71.1179.2178176.2-0.7107.8F3R1-F3 HydrophobicContact CB-CE2 4.04Å; R1-F3 HydrophobicContact CB-CZ 3.97Å
2K91.9Very high96Very high157 Ų15799.2 Ų99.268%0.68343%0.429SS*.  trans-104.6127.1176.4-171.5173.1-179.7-1680108.8Y4K2-Y4 HydrophobicContact CD-CE1 4.1Å; K2-Y4 HydrophobicContact CD-CE2 4.24Å; K2-Y4 VanDerWaalsContact CD-OH 3.29Å; K2-Y4 WeakPolarHBondContact CD-OH 3.42Å; K2-Y4 VanDerWaalsContact CE-CE1 3.45Å; K2-Y4 VanDerWaalsContact CE-CZ 3.46Å; K2-Y4 WeakPolarHBondContact CE-OH 3.38Å; K2-Y4 HydrophobicContact CG-CE1 4.39Å; K2-Y4 HydrophobicContact CG-CE2 4.25Å; K2-Y4 PolarHBondContact NZ-OH 3.45Å
3F96.8Very high96.1Very high144 Ų14492.7 Ų92.763%0.63240%0.403SS*.  trans-108.8135-179.5-62-76.1000109.7R1 Y5R1-F3 HydrophobicContact CB-CE2 4.04Å; R1-F3 HydrophobicContact CB-CZ 3.97Å; F3-Y5 HydrophobicContact CB-CE2 4Å
4Y97.4Very high96.1Very high131 Ų13188.9 Ų88.951%0.51439%0.394SS..  trans-115.5103177.7-63.8-75.2000108.9K2 A114 F133K2-Y4 HydrophobicContact CD-CE1 4.1Å; K2-Y4 HydrophobicContact CD-CE2 4.24Å; K2-Y4 VanDerWaalsContact CD-OH 3.29Å; K2-Y4 WeakPolarHBondContact CD-OH 3.42Å; K2-Y4 VanDerWaalsContact CE-CE1 3.45Å; K2-Y4 VanDerWaalsContact CE-CZ 3.46Å; K2-Y4 WeakPolarHBondContact CE-OH 3.38Å; K2-Y4 HydrophobicContact CG-CE1 4.39Å; K2-Y4 HydrophobicContact CG-CE2 4.25Å; K2-Y4 PolarHBondContact NZ-OH 3.45Å; Y4-A114 HydrophobicContact CD1-CB 3.87Å; Y4-A114 HydrophobicContact CG-CB 4.33Å; Y4-F133 HydrophobicContact CG-CE1 4.22Å
5Y98.4Very high96.3Very high161 Ų16184.5 Ų84.563%0.63137%0.373SS*.  trans-76.8137.6177.5-69.4-92.7000110.3F3 A114F3-Y5 HydrophobicContact CB-CE2 4Å; Y5-A114 PolarHBondContact O-N 2.96Å
6I98.6Very high96.4Very high88 Ų8879.3 Ų79.345%0.45135%0.35SS..EExtended strand (participates in β ladder)trans-134.8153.1174.767.1173.4000110.5F115 F129 F133I6-F115 WeakPolarHBondContact CA-O 3.43Å; I6-F115 HydrophobicContact CB-CD1 4.3Å; I6-F115 HydrophobicContact CG2-CB 3.88Å; I6-F115 HydrophobicContact CG2-CD1 4.36Å; I6-F129 HydrophobicContact CD1-CE2 3.9Å; I6-F133 HydrophobicContact CG2-CE2 3.99Å; I6-F133 HydrophobicContact CG2-CZ 3.74Å
7T98.7Very high96.4Very high41 Ų4175.1 Ų75.125%0.25233%0.332SS..EExtended strand (participates in β ladder)trans-150.5171.4174.7-163.60000112.5L79 L110 M113 F115 F116 G117T7-L79 HydrophobicContact CG2-CD2 4.22Å; T7-L110 HydrophobicContact CG2-CD1 3.64Å; T7-M113 HydrophobicContact CG2-CE 4.41Å; T7-M113 HydrophobicContact CG2-SD 3.6Å; T7-F115 PolarHBondContact N-O 3.05Å; T7-F116 HydrophobicContact CG2-CB 3.76Å; T7-F116 CarbonylContact O-C 3.29Å; T7-F116 WeakPolarHBondContact O-CA 3.17Å; T7-G117 PolarHBondContact O-N 2.89Å
8L98.6Very high96.4Very high101 Ų10172.9 Ų72.953%0.52933%0.328SS..EExtended strand (participates in β ladder)trans-124.9137.1169.5-64.3177.5000109.2G117 T125L8-G117 WeakPolarHBondContact CA-O 3.39Å; L8-T125 HydrophobicContact CD2-CG2 4.06Å
9L98.7Very high96.5Very high4 Ų470 Ų702%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-113.8158.2173-64.1172.1000110.9Q75 L79 L110 G117 L118 T119 Y173 A176L9-Q75 VanDerWaalsContact CA-OE1 3.31Å; L9-Q75 HydrophobicContact CD2-CB 3.87Å; L9-Q75 HydrophobicContact CD2-CG 3.94Å; L9-L79 HydrophobicContact CD2-CD1 3.85Å; L9-L110 HydrophobicContact CD1-CD1 3.85Å; L9-L110 HydrophobicContact CD1-CD2 3.52Å; L9-L110 HydrophobicContact CD1-CG 4.34Å; L9-L110 HydrophobicContact CG-CD1 4.47Å; L9-G117 PolarHBondContact N-O 3.1Å; L9-L118 HydrophobicContact CB-CD2 3.82Å; L9-L118 WeakPolarHBondContact O-CA 3.36Å; L9-T119 WeakPolarHBondContact O-CG2 3.01Å; L9-T119 PolarHBondContact O-N 3.12Å; L9-Y173 HydrophobicContact CB-CD2 4.37Å; L9-A176 HydrophobicContact CD1-CB 3.5Å; L9-A176 VanDerWaalsContact CD1-CB 3.5Å
10R98.1Very high96.5Very high44 Ų4467.3 Ų67.317%0.16630%0.302CS..  trans-138.5150.2177.4-179.8166.9-169.7-167.71.5109.5R15 S18 Q75 T119 T147 Y173R10-R15 HydrophobicContact CB-CB 4.07Å; R10-R15 HydrophobicContact CB-CG 4.46Å; R10-R15 HydrophobicContact CG-CB 4.02Å; R10-S18 PolarHBondContact NH1-OG 2.91Å; R10-Q75 PolarHBondContact O-NE2 2.9Å; R10-Q75 PolarHBondContact O-OE1 3.43Å; R10-T119 HydrophobicContact CB-CG2 4.03Å; R10-T119 VanDerWaalsContact CB-OG1 3.28Å; R10-T119 WeakPolarHBondContact CB-OG1 3.34Å; R10-T119 WeakPolarHBondContact CG-OG1 3.35Å; R10-T147 PolarHBondContact NH2-OG1 3.29Å; R10-Y173 WeakPolarHBondContact O-CD2 3.19Å
11D97.6Very high96.5Very high42 Ų4267.5 Ų67.523%0.22530%0.301CS..  trans-43.2124.1168.2168.8-104.2000110.4V13 S14 R15 E120 Y173D11-V13 PolarHBondContact O-N 2.94Å; D11-S14 PolarHBondContact O-N 3.47Å; D11-S14 VanDerWaalsContact OD1-CB 3.23Å; D11-S14 WeakPolarHBondContact OD1-CB 3.38Å; D11-S14 PolarHBondContact OD1-N 3.32Å; D11-S14 PolarHBondContact OD1-OG 2.99Å; D11-R15 VanDerWaalsContact O-CB 3.28Å; D11-R15 WeakPolarHBondContact O-CB 3.47Å; D11-R15 PolarHBondContact O-N 3.01Å; D11-E120 WeakPolarHBondContact CB-OE1 3.44Å; D11-E120 PolarHBondContact N-OE1 3.32Å; D11-Y173 HydrophobicContact CB-CE1 4.01Å; D11-Y173 VanDerWaalsContact N-CE2 3.27Å
12P98.4Very high97.3Very high0 Ų058.6 Ų58.60%027%0.271CS..Hα-helixtrans-60.5-40.1-168.9-28.837.7000114.1R15 Y16 N166 D169 M170 Y173P12-R15 PolarHBondContact O-N 2.96Å; P12-Y16 WeakPolarHBondContact O-CB 3.49Å; P12-Y16 PolarHBondContact O-N 2.93Å; P12-N166 HydrophobicContact CB-CB 4.1Å; P12-D169 HydrophobicContact CB-CB 3.86Å; P12-D169 VanDerWaalsContact CG-C 3.43Å; P12-D169 HydrophobicContact CG-CB 3.83Å; P12-D169 VanDerWaalsContact CG-O 3.32Å; P12-D169 WeakPolarHBondContact CG-O 3.24Å; P12-M170 HydrophobicContact CB-CG 4.4Å; P12-M170 HydrophobicContact CB-SD 3.63Å; P12-M170 HydrophobicContact CG-CG 4.33Å; P12-M170 HydrophobicContact CG-SD 3.55Å; P12-M170 VanDerWaalsContact CG-SD 3.55Å; P12-Y173 HydrophobicContact CG-CG 4.41Å
13V97.4Very high97.5Very high15 Ų1551.6 Ų51.69%0.09124%0.241CC..Hα-helixtrans-62.7-51.1177.4178.80000110D11 R15 Y16 L17 I159 I162 E163 M170D11-V13 PolarHBondContact O-N 2.94Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 3.4Å; V13-Y16 PolarHBondContact O-N 3.28Å; V13-L17 HydrophobicContact CG1-CD1 3.99Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 2.89Å; V13-I159 HydrophobicContact CG1-CG2 4.48Å; V13-I162 HydrophobicContact CB-CG2 4.34Å; V13-I162 HydrophobicContact CG1-CG2 4.24Å; V13-I162 HydrophobicContact CG2-CG2 4.18Å; V13-E163 HydrophobicContact CG2-CG 3.62Å; V13-M170 HydrophobicContact CG2-SD 4.45Å
14S96.3Very high97.4Very high39 Ų3947 Ų4727%0.27322%0.221SC..Hα-helixtrans-60.8-38.1178.2-61.70000112.7D11 S18 A149D11-S14 PolarHBondContact O-N 3.47Å; D11-S14 VanDerWaalsContact OD1-CB 3.23Å; D11-S14 WeakPolarHBondContact OD1-CB 3.38Å; D11-S14 PolarHBondContact OD1-N 3.32Å; D11-S14 PolarHBondContact OD1-OG 2.99Å; S14-S18 VanDerWaalsContact O-CB 3.22Å; S14-S18 WeakPolarHBondContact O-CB 3.42Å; S14-S18 PolarHBondContact O-N 2.87Å; S14-S18 VanDerWaalsContact O-N 3.12Å; S14-A149 VanDerWaalsContact O-CB 3.24Å; S14-A149 WeakPolarHBondContact O-CB 3.39Å
15R97.9Very high97.2Very high24 Ų2446.7 Ų46.79%0.09122%0.219CC..Hα-helixtrans-67.6-46.9176.3-175.2-147.761.869.91.5111.1R10 D11 P12 V13 S18 E19 A71 N166 D169R10-R15 HydrophobicContact CB-CB 4.07Å; R10-R15 HydrophobicContact CB-CG 4.46Å; R10-R15 HydrophobicContact CG-CB 4.02Å; D11-R15 VanDerWaalsContact O-CB 3.28Å; D11-R15 WeakPolarHBondContact O-CB 3.47Å; D11-R15 PolarHBondContact O-N 3.01Å; P12-R15 PolarHBondContact O-N 2.96Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 3.4Å; R15-S18 WeakPolarHBondContact O-CB 3.47Å; R15-S18 PolarHBondContact O-N 3.17Å; R15-E19 IonicContact CZ-OE2 3.65Å; R15-E19 IonicContact NH1-OE2 2.63Å; R15-E19 PolarHBondContact NH1-OE2 2.93Å; R15-E19 PolarHBondContact O-N 3.33Å; R15-A71 PolarHBondContact NH2-O 3.44Å; R15-N166 PolarHBondContact NH2-OD1 3.35Å; R15-D169 IonicContact NE-OD2 2.74Å
16Y98.3Very high97Very high0 Ų040.3 Ų40.30%020%0.203CC..Hα-helixtrans-61.7-49.6-179.4-169.6-91.5000111.4P12 V13 S18 E19 W20 F63 M64 A71 N72 I162 N166P12-Y16 WeakPolarHBondContact O-CB 3.49Å; P12-Y16 PolarHBondContact O-N 2.93Å; V13-Y16 PolarHBondContact O-N 3.28Å; Y16-S18 VanDerWaalsContact C-N 3.31Å; Y16-S18 PolarHBondContact O-N 3.35Å; Y16-E19 WeakPolarHBondContact O-CB 3.45Å; Y16-E19 PolarHBondContact O-N 3.1Å; Y16-E19 VanDerWaalsContact O-N 3.12Å; Y16-W20 PolarHBondContact O-N 3.01Å; Y16-F63 HydrophobicContact CD1-CD1 4.41Å; Y16-F63 HydrophobicContact CD1-CE1 4.18Å; Y16-F63 HydrophobicContact CD2-CE1 4.43Å; Y16-F63 AromaticContact CE1-CD1 3.54Å; Y16-F63 HydrophobicContact CE1-CD1 3.54Å; Y16-F63 AromaticContact CE1-CE1 3.61Å; Y16-F63 HydrophobicContact CE1-CE1 3.61Å; Y16-F63 HydrophobicContact CE2-CD1 4.43Å; Y16-F63 AromaticContact CE2-CE1 3.88Å; Y16-F63 HydrophobicContact CE2-CE1 3.88Å; Y16-F63 AromaticContact CZ-CD1 3.54Å; Y16-F63 AromaticContact CZ-CE1 3.43Å; Y16-F63 VanDerWaalsContact CZ-CE1 3.43Å; Y16-F63 WeakPolarHBondContact OH-CD1 3.24Å; Y16-F63 PolarHBondContact OH-O 3.35Å; Y16-M64 HydrophobicContact CE1-CG 3.99Å; Y16-A71 HydrophobicContact CD2-CB 3.83Å; Y16-A71 HydrophobicContact CE2-CB 3.49Å; Y16-A71 VanDerWaalsContact CE2-CB 3.49Å; Y16-N72 VanDerWaalsContact CE2-OD1 3.24Å; Y16-N72 WeakPolarHBondContact CE2-OD1 3.22Å; Y16-N72 PolarHBondContact OH-OD1 3.08Å; Y16-I162 HydrophobicContact CD1-CD1 4.32Å; Y16-I162 HydrophobicContact CD1-CG1 4.11Å; Y16-I162 HydrophobicContact CD1-CG2 3.71Å; Y16-I162 HydrophobicContact CE1-CG1 4.28Å; Y16-I162 HydrophobicContact CE1-CG2 4.46Å; Y16-I162 HydrophobicContact CG-CG2 3.85Å; Y16-N166 WeakPolarHBondContact CD2-ND2 3.36Å
17L97.2Very high96.8Very high8 Ų836.9 Ų36.94%0.04219%0.187CC..Hα-helixtrans-61.8-38.3175.8-69.1172.1000112.4V13 E19 W20 R21 L60 A149 V152 V154 I162V13-L17 HydrophobicContact CG1-CD1 3.99Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 2.89Å; L17-E19 VanDerWaalsContact C-N 3.3Å; L17-E19 PolarHBondContact O-N 2.99Å; L17-W20 HydrophobicContact CD2-CE3 4.25Å; L17-R21 WeakPolarHBondContact O-CG 3.47Å; L17-R21 PolarHBondContact O-N 3.23Å; L17-L60 HydrophobicContact CD2-CD1 4.05Å; L17-L60 HydrophobicContact CD2-CD2 3.95Å; L17-A149 HydrophobicContact CB-CB 4.08Å; L17-V152 HydrophobicContact CD2-CG1 4.47Å; L17-V154 HydrophobicContact CD1-CG2 3.87Å; L17-V154 HydrophobicContact CD2-CG2 4.47Å; L17-I162 HydrophobicContact CD2-CD1 3.65Å; L17-I162 HydrophobicContact CG-CD1 4.08Å
18S96.1Very high96.5Very high37 Ų3736.7 Ų36.726%0.25919%0.186SC..Hα-helixtrans-63.8-38.5175.8-171.90000111.9R10 S14 R15 Y16 H22R10-S18 PolarHBondContact NH1-OG 2.91Å; S14-S18 VanDerWaalsContact O-CB 3.22Å; S14-S18 WeakPolarHBondContact O-CB 3.42Å; S14-S18 PolarHBondContact O-N 2.87Å; S14-S18 VanDerWaalsContact O-N 3.12Å; R15-S18 WeakPolarHBondContact O-CB 3.47Å; R15-S18 PolarHBondContact O-N 3.17Å; Y16-S18 VanDerWaalsContact C-N 3.31Å; Y16-S18 PolarHBondContact O-N 3.35Å; S18-H22 PolarHBondContact O-N 3.47Å
19E97.7Very high96.3Very high17 Ų1737 Ų378%0.07918%0.18CC..Hα-helixtrans-69.9-47.9177.5-171.9173.2148.900111.4R15 Y16 L17 R21 H22 V23 W29 F63 A71 R74R15-E19 IonicContact CZ-OE2 3.65Å; R15-E19 IonicContact NH1-OE2 2.63Å; R15-E19 PolarHBondContact NH1-OE2 2.93Å; R15-E19 PolarHBondContact O-N 3.33Å; Y16-E19 WeakPolarHBondContact O-CB 3.45Å; Y16-E19 PolarHBondContact O-N 3.1Å; Y16-E19 VanDerWaalsContact O-N 3.12Å; L17-E19 VanDerWaalsContact C-N 3.3Å; L17-E19 PolarHBondContact O-N 2.99Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 PolarHBondContact O-N 3.09Å; E19-H22 CarbonylContact O-C 3.57Å; E19-H22 WeakPolarHBondContact O-CA 3.35Å; E19-H22 VanDerWaalsContact O-CB 3.31Å; E19-H22 WeakPolarHBondContact O-CB 3.4Å; E19-H22 PolarHBondContact O-N 3.28Å; E19-V23 HydrophobicContact CG-CG2 4.34Å; E19-V23 WeakPolarHBondContact O-CG2 3.49Å; E19-V23 PolarHBondContact O-N 3.36Å; E19-W29 HydrophobicContact CG-CH2 3.85Å; E19-W29 HydrophobicContact CG-CZ3 3.93Å; E19-F63 HydrophobicContact CG-CZ 4.37Å; E19-A71 HydrophobicContact CG-CB 4.47Å; E19-A71 WeakPolarHBondContact OE1-CA 3.46Å; E19-A71 VanDerWaalsContact OE1-CB 3.27Å; E19-A71 WeakPolarHBondContact OE1-CB 3.48Å; E19-R74 VanDerWaalsContact CD-NE 3.27Å; E19-R74 IonicContact OE1-CZ 3.49Å; E19-R74 VanDerWaalsContact OE1-CZ 3.24Å; E19-R74 IonicContact OE1-NE 3.9Å; E19-R74 PolarHBondContact OE1-NE 2.89Å; E19-R74 VanDerWaalsContact OE1-NE 3.09Å; E19-R74 IonicContact OE1-NH2 3.59Å; E19-R74 PolarHBondContact OE1-NH2 2.98Å; E19-R74 WeakPolarHBondContact OE2-CD 3.31Å; E19-R74 IonicContact OE2-CZ 2.79Å; E19-R74 IonicContact OE2-NE 2.83Å; E19-R74 PolarHBondContact OE2-NE 3.35Å; E19-R74 IonicContact OE2-NH2 2.76Å
20W97.3Very high96Very high15 Ų1543 Ų436%0.05721%0.206CC..Hα-helixtrans-50.1-51.3173.3163.756.4000111.3Y16 L17 H22 V23 Q24 C58 T59 L60 F63 V152Y16-W20 PolarHBondContact O-N 3.01Å; L17-W20 HydrophobicContact CD2-CE3 4.25Å; W20-H22 PolarHBondContact O-N 3.33Å; W20-V23 PolarHBondContact O-N 3.13Å; W20-V23 VanDerWaalsContact O-N 3.14Å; W20-Q24 VanDerWaalsContact O-CB 3.32Å; W20-Q24 WeakPolarHBondContact O-CB 3.27Å; W20-Q24 PolarHBondContact O-N 2.97Å; W20-C58 PolarHBondContact NE1-O 3.41Å; W20-C58 VanDerWaalsContact NE1-O 3.12Å; W20-T59 PolarHBondContact NE1-O 3.06Å; W20-L60 HydrophobicContact CB-CD1 4.36Å; W20-L60 HydrophobicContact CD2-CB 4.1Å; W20-L60 HydrophobicContact CD2-CD1 3.81Å; W20-L60 HydrophobicContact CD2-CG 4.49Å; W20-L60 HydrophobicContact CE3-CB 4.36Å; W20-L60 HydrophobicContact CE3-CD1 3.95Å; W20-L60 HydrophobicContact CG-CD1 3.95Å; W20-L60 HydrophobicContact CH2-CB 3.96Å; W20-L60 HydrophobicContact CZ2-CB 3.7Å; W20-L60 HydrophobicContact CZ3-CB 4.28Å; W20-L60 HydrophobicContact CZ3-CD2 4.42Å; W20-F63 HydrophobicContact CB-CD1 3.68Å; W20-F63 HydrophobicContact CB-CD2 4.45Å; W20-F63 HydrophobicContact CB-CE1 3.73Å; W20-F63 HydrophobicContact CB-CE2 4.5Å; W20-F63 HydrophobicContact CB-CG 4.05Å; W20-F63 HydrophobicContact CB-CZ 4.14Å; W20-F63 AromaticContact CD1-CG 3.67Å; W20-F63 HydrophobicContact CG-CB 4.37Å; W20-F63 HydrophobicContact CG-CD1 4.18Å; W20-F63 HydrophobicContact CG-CG 4.16Å; W20-V152 HydrophobicContact CZ3-CG1 3.84Å; W20-V152 HydrophobicContact CZ3-CG2 4.1Å
21R95.7Very high95.8Very high72 Ų7246.9 Ų46.927%0.27224%0.235SC..Hα-helixtrans-61.8-27.3177.5-71.5-60.7-163.8178.5-1.4113.1L17 E19 R25 V152L17-R21 WeakPolarHBondContact O-CG 3.47Å; L17-R21 PolarHBondContact O-N 3.23Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 PolarHBondContact O-N 3.09Å; R21-R25 VanDerWaalsContact C-NH2 3.31Å; R21-R25 PolarHBondContact O-NE 3.28Å; R21-R25 PolarHBondContact O-NH2 3.1Å; R21-V152 HydrophobicContact CG-CG2 4.15Å
22H95.5Very high95.7Very high91 Ų9147.4 Ų47.442%0.42124%0.242SC..Hα-helixtrans-75.7-44.6176.3-154.8166.4000110.5S18 E19 W20 R25 A27 W29S18-H22 PolarHBondContact O-N 3.47Å; E19-H22 CarbonylContact O-C 3.57Å; E19-H22 WeakPolarHBondContact O-CA 3.35Å; E19-H22 VanDerWaalsContact O-CB 3.31Å; E19-H22 WeakPolarHBondContact O-CB 3.4Å; E19-H22 PolarHBondContact O-N 3.28Å; W20-H22 PolarHBondContact O-N 3.33Å; H22-R25 CarbonylContact O-C 3.51Å; H22-R25 PolarHBondContact O-N 2.89Å; H22-R25 VanDerWaalsContact O-N 3.1Å; H22-A27 HydrophobicContact CB-CB 4.21Å; H22-A27 VanDerWaalsContact CD2-CB 3.41Å; H22-A27 WeakPolarHBondContact CD2-CB 3.35Å; H22-A27 WeakPolarHBondContact O-CB 3.34Å; H22-A27 PolarHBondContact O-N 3.22Å; H22-W29 HydrophobicContact CB-CH2 4.31Å; H22-W29 AromaticContact ND1-CZ2 3.81Å
23V96.4Very high95.6Very high10 Ų1053 Ų536%0.06127%0.272CS..Hα-helixtrans-62.9-43.4177.1172.70000111.5E19 W20 R25 G26 A27 W29 W55 F63E19-V23 HydrophobicContact CG-CG2 4.34Å; E19-V23 WeakPolarHBondContact O-CG2 3.49Å; E19-V23 PolarHBondContact O-N 3.36Å; W20-V23 PolarHBondContact O-N 3.13Å; W20-V23 VanDerWaalsContact O-N 3.14Å; V23-R25 PolarHBondContact O-N 2.95Å; V23-G26 PolarHBondContact O-N 2.98Å; V23-A27 WeakPolarHBondContact CA-O 3.49Å; V23-W29 HydrophobicContact CG2-CH2 4.26Å; V23-W29 HydrophobicContact CG2-CZ3 3.73Å; V23-W55 HydrophobicContact CG1-CB 3.71Å; V23-W55 HydrophobicContact CG1-CD2 4.21Å; V23-W55 HydrophobicContact CG1-CE3 3.77Å; V23-W55 HydrophobicContact CG1-CG 4.24Å; V23-F63 HydrophobicContact CB-CE2 3.97Å; V23-F63 HydrophobicContact CG1-CD2 4.31Å; V23-F63 HydrophobicContact CG1-CE2 4Å; V23-F63 HydrophobicContact CG2-CE2 3.94Å; V23-F63 HydrophobicContact CG2-CZ 4.48Å
24Q95.1Very high95.6Very high46 Ų4654.6 Ų54.622%0.21528%0.278CS..THydrogen-bonded Turntrans-55.6-22.4174.3-176.3176.763.400113.1W20 G57 C58W20-Q24 VanDerWaalsContact O-CB 3.32Å; W20-Q24 WeakPolarHBondContact O-CB 3.27Å; W20-Q24 PolarHBondContact O-N 2.97Å; Q24-G57 PolarHBondContact O-N 3.04Å; Q24-C58 PolarHBondContact NE2-O 2.71Å
25R93.8Very high95.7Very high125 Ų12557.9 Ų57.947%0.47229%0.29SS..THydrogen-bonded Turntrans-103.315.6176.1-68.1-179.2-69.3-125.3-17.1113.6R21 H22 V23R21-R25 VanDerWaalsContact C-NH2 3.31Å; R21-R25 PolarHBondContact O-NE 3.28Å; R21-R25 PolarHBondContact O-NH2 3.1Å; H22-R25 CarbonylContact O-C 3.51Å; H22-R25 PolarHBondContact O-N 2.89Å; H22-R25 VanDerWaalsContact O-N 3.1Å; V23-R25 PolarHBondContact O-N 2.95Å
26G94.1Very high95.7Very high27 Ų2757.5 Ų57.528%0.27829%0.291SS..THydrogen-bonded Turntrans102.16.5171.800000116V23 S56V23-G26 PolarHBondContact O-N 2.98Å; G26-S56 WeakPolarHBondContact CA-OG 3.27Å; G26-S56 PolarHBondContact N-OG 3.27Å
27A94.9Very high95.6Very high16 Ų1663 Ų6313%0.13232%0.32CS..  trans-71134.9172.500000111.3H22 V23 W29H22-A27 HydrophobicContact CB-CB 4.21Å; H22-A27 VanDerWaalsContact CD2-CB 3.41Å; H22-A27 WeakPolarHBondContact CD2-CB 3.35Å; H22-A27 WeakPolarHBondContact O-CB 3.34Å; H22-A27 PolarHBondContact O-N 3.22Å; V23-A27 WeakPolarHBondContact CA-O 3.49Å; A27-W29 HydrophobicContact CB-CH2 3.95Å; A27-W29 HydrophobicContact CB-CZ2 4.06Å; A27-W29 HydrophobicContact CB-CZ3 4.26Å
28T92.4Very high95.6Very high38 Ų3866 Ų6623%0.23335%0.354CS..  trans-131-32.8178.155.80000112.9K30 Y50 D54T28-K30 PolarHBondContact O-N 3.36Å; T28-K30 VanDerWaalsContact O-N 3.14Å; T28-K30 WeakPolarHBondContact OG1-CG 3.45Å; T28-K30 PolarHBondContact OG1-N 2.98Å; T28-Y50 WeakPolarHBondContact CB-OH 3.31Å; T28-Y50 HydrophobicContact CG2-CE1 4.14Å; T28-Y50 HydrophobicContact CG2-CE2 4.35Å; T28-D54 HydrophobicContact CG2-CB 3.44Å; T28-D54 VanDerWaalsContact CG2-CB 3.44Å
29W94.3Very high95.7Very high106 Ų10669.7 Ų69.740%0.40236%0.362SS..  trans51.527-167.3-52.3-81.8000113.5E19 H22 V23 A27 T31 S32E19-W29 HydrophobicContact CG-CH2 3.85Å; E19-W29 HydrophobicContact CG-CZ3 3.93Å; H22-W29 HydrophobicContact CB-CH2 4.31Å; H22-W29 AromaticContact ND1-CZ2 3.81Å; V23-W29 HydrophobicContact CG2-CH2 4.26Å; V23-W29 HydrophobicContact CG2-CZ3 3.73Å; A27-W29 HydrophobicContact CB-CH2 3.95Å; A27-W29 HydrophobicContact CB-CZ2 4.06Å; A27-W29 HydrophobicContact CB-CZ3 4.26Å; W29-T31 PolarHBondContact O-N 3.33Å; W29-S32 VanDerWaalsContact O-CB 3.23Å; W29-S32 WeakPolarHBondContact O-CB 3.2Å; W29-S32 PolarHBondContact O-N 3.26Å; W29-S32 PolarHBondContact O-OG 3.01Å
30K91.3Very high95.7Very high130 Ų13072.3 Ų72.357%0.56538%0.379SS*.THydrogen-bonded Turntrans-61.6-14.2-173.867.1-174.5176.5-174.80115.7T28 S32 T53T28-K30 PolarHBondContact O-N 3.36Å; T28-K30 VanDerWaalsContact O-N 3.14Å; T28-K30 WeakPolarHBondContact OG1-CG 3.45Å; T28-K30 PolarHBondContact OG1-N 2.98Å; K30-S32 VanDerWaalsContact C-N 3.28Å; K30-T53 PolarHBondContact NZ-O 3Å
31T93.7Very high95.6Very high126 Ų12672.8 Ų72.877%0.77338%0.384SS*.THydrogen-bonded Turntrans-861.4174.256.70000113.2W29 L33W29-T31 PolarHBondContact O-N 3.33Å; T31-L33 PolarHBondContact O-N 3.39Å
32S96.1Very high95.6Very high53 Ų5372.1 Ų72.137%0.37139%0.388SS..  trans-64.4127.2174.8-610000110.1W29 K30 H34W29-S32 VanDerWaalsContact O-CB 3.23Å; W29-S32 WeakPolarHBondContact O-CB 3.2Å; W29-S32 PolarHBondContact O-N 3.26Å; W29-S32 PolarHBondContact O-OG 3.01Å; K30-S32 VanDerWaalsContact C-N 3.28Å; S32-H34 WeakPolarHBondContact CB-NE2 3.45Å; S32-H34 PolarHBondContact O-CD2 3.11Å; S32-H34 VanDerWaalsContact O-CD2 3.24Å; S32-H34 PolarHBondContact O-N 3.12Å
33L96.8Very high95.6Very high119 Ų11972.4 Ų72.462%0.62340%0.398SS*.  trans-73.6-28.7-174.2-60.5176.6000113.6T31 M35 T40T31-L33 PolarHBondContact O-N 3.39Å; L33-M35 HydrophobicContact CB-CG 3.81Å; L33-M35 HydrophobicContact CD1-CG 4.26Å; L33-M35 PolarHBondContact O-N 3.41Å; L33-T40 HydrophobicContact CB-CG2 4.41Å; L33-T40 WeakPolarHBondContact O-CB 3.45Å; L33-T40 WeakPolarHBondContact O-CG2 3.48Å
34H97.2Very high95.5Very high48 Ų4879.2 Ų79.222%0.22243%0.429CS..  trans53.537-175.1-63.1-64.6000113.3S32 C36 P41 Y88S32-H34 WeakPolarHBondContact CB-NE2 3.45Å; S32-H34 PolarHBondContact O-CD2 3.11Å; S32-H34 VanDerWaalsContact O-CD2 3.24Å; S32-H34 PolarHBondContact O-N 3.12Å; H34-C36 PolarHBondContact O-N 3.04Å; H34-P41 HydrophobicContact CB-CG 3.68Å; H34-P41 WeakPolarHBondContact O-CD 3.42Å; H34-Y88 HydrophobicContact CB-CE2 3.78Å; H34-Y88 AromaticContact ND1-CZ 3.97Å; H34-Y88 PolarHBondContact ND1-OH 3.14Å; H34-Y88 VanDerWaalsContact ND1-OH 3.14Å; H34-Y88 WeakPolarHBondContact O-CE2 3.45Å
35M97.7Very high95.5Very high108 Ų10879.2 Ų79.253%0.53243%0.429SS..  trans-59.8125.8-178.7-72.2-64.4-66.600111.6L33 G38 R39 T40L33-M35 HydrophobicContact CB-CG 3.81Å; L33-M35 HydrophobicContact CD1-CG 4.26Å; L33-M35 PolarHBondContact O-N 3.41Å; M35-G38 WeakPolarHBondContact CE-O 3.44Å; M35-R39 WeakPolarHBondContact CA-O 3.49Å; M35-T40 HydrophobicContact SD-CG2 3.59Å; M35-T40 VanDerWaalsContact SD-CG2 3.59Å
36C98.1Very high95.6Very high15 Ų1575 Ų7510%0.10142%0.416CS..BIsolated β-bridgetrans-148.3137.1171.9-175.10000108.5H34 G38 R39 C87 Y88H34-C36 PolarHBondContact O-N 3.04Å; C36-G38 PolarHBondContact O-N 2.8Å; C36-G38 VanDerWaalsContact O-N 3.09Å; C36-R39 PolarHBondContact N-O 2.94Å; C36-R39 PolarHBondContact O-N 2.92Å; C36-R39 VanDerWaalsContact O-N 3.12Å; C36-R39 VanDerWaalsContact O-O 3.04Å; C36-C87 HydrophobicContact CB-CB 3.6Å; C36-C87 WeakPolarHBondContact CB-SG 3.24Å; C36-C87 VanDerWaalsContact SG-CA 3.53Å; C36-C87 WeakPolarHBondContact SG-CB 3.23Å; C36-C87 CovalentContact SG-SG 2.03Å; C36-C87 PolarHBondContact SG-SG 3.32Å; C36-Y88 HydrophobicContact CB-CE2 4.49Å
37D96.6Very high95.7Very high116 Ų11676.1 Ų76.162%0.6242%0.418SS*.THydrogen-bonded Turntrans47.539.1-175.4-65.6-11000114.4R39 S83 C87D37-R39 VanDerWaalsContact C-N 3.35Å; D37-R39 PolarHBondContact O-N 2.9Å; D37-S83 WeakPolarHBondContact OD1-CB 3.49Å; D37-C87 PolarHBondContact OD2-SG 3.15Å
38G97.1Very high95.7Very high72 Ų7278.4 Ų78.474%0.74243%0.433SS*.THydrogen-bonded Turntrans79.56174.600000115.8M35 C36M35-G38 WeakPolarHBondContact CE-O 3.44Å; C36-G38 PolarHBondContact O-N 2.8Å; C36-G38 VanDerWaalsContact O-N 3.09Å
39R97.4Very high95.9Very high113 Ų11377.7 Ų77.743%0.42643%0.43SS..BIsolated β-bridgetrans-137.3166176.667.3176.1-174.987.4-5.1113.5M35 C36 D37 E45M35-R39 WeakPolarHBondContact CA-O 3.49Å; C36-R39 PolarHBondContact N-O 2.94Å; C36-R39 PolarHBondContact O-N 2.92Å; C36-R39 VanDerWaalsContact O-N 3.12Å; C36-R39 VanDerWaalsContact O-O 3.04Å; D37-R39 VanDerWaalsContact C-N 3.35Å; D37-R39 PolarHBondContact O-N 2.9Å; R39-E45 IonicContact CZ-OE1 2.69Å; R39-E45 IonicContact CZ-OE2 3.92Å; R39-E45 IonicContact NH1-OE1 3.24Å; R39-E45 IonicContact NH1-OE2 3.82Å; R39-E45 PolarHBondContact NH1-OE2 3.17Å; R39-E45 IonicContact NH2-OE1 2.77Å; R39-E45 PolarHBondContact NH2-OE1 2.88Å; R39-E45 IonicContact NH2-OE2 2.93Å
40T97.4Very high95.9Very high73 Ų7375.2 Ų75.245%0.44842%0.421SS..PPolyproline II helixtrans-87.8151.9169.1610000110.3L33 M35L33-T40 HydrophobicContact CB-CG2 4.41Å; L33-T40 WeakPolarHBondContact O-CB 3.45Å; L33-T40 WeakPolarHBondContact O-CG2 3.48Å; M35-T40 HydrophobicContact SD-CG2 3.59Å; M35-T40 VanDerWaalsContact SD-CG2 3.59Å
41P97.2Very high95.9Very high25 Ų2577.9 Ų77.916%0.16244%0.435CS..PPolyproline II helixtrans-67.9153.8174.128.8-34.7000111.5H34 E45 L46 Y88H34-P41 HydrophobicContact CB-CG 3.68Å; H34-P41 WeakPolarHBondContact O-CD 3.42Å; P41-E45 VanDerWaalsContact CA-OE2 3.29Å; P41-E45 WeakPolarHBondContact CA-OE2 3.31Å; P41-E45 HydrophobicContact CB-CB 4.11Å; P41-L46 HydrophobicContact CB-CB 4.12Å; P41-L46 HydrophobicContact CG-CB 4.18Å; P41-L46 HydrophobicContact CG-CD1 3.93Å; P41-Y88 HydrophobicContact CB-CD2 3.85Å; P41-Y88 HydrophobicContact CB-CG 4Å; P41-Y88 HydrophobicContact CG-CD2 3.95Å; P41-Y88 HydrophobicContact CG-CE2 4.26Å; P41-Y88 HydrophobicContact CG-CG 4.33Å
42T95.6Very high95.9Very high57 Ų5775.3 Ų75.335%0.3543%0.434SS..PPolyproline II helixtrans-81.7164170.977.90000111.2E44 E45 L46T42-E44 WeakPolarHBondContact CB-OE2 3.38Å; T42-E44 PolarHBondContact O-N 3.49Å; T42-E44 PolarHBondContact OG1-N 2.78Å; T42-E44 PolarHBondContact OG1-OE2 2.94Å; T42-E45 PolarHBondContact N-OE2 2.9Å; T42-E45 PolarHBondContact O-N 3.39Å; T42-E45 VanDerWaalsContact O-N 3.09Å; T42-E45 PolarHBondContact OG1-N 3.3Å; T42-L46 PolarHBondContact O-N 3.38Å
43P94.1Very high95.7Very high98 Ų9877.3 Ų77.364%0.63644%0.444SS*.THydrogen-bonded Turntrans-59.2-25.8173.4-2536.2000114L46 P47P43-L46 CarbonylContact O-C 3.6Å; P43-L46 VanDerWaalsContact O-C 3.29Å; P43-P47 VanDerWaalsContact O-CA 3.3Å; P43-P47 WeakPolarHBondContact O-CA 3.28Å; P43-P47 VanDerWaalsContact O-N 3.17Å
44E94.5Very high95.5Very high152 Ų15274.2 Ų74.271%0.7143%0.428SS*.THydrogen-bonded Turntrans-74.1-36.7174-57.475.1-161.600112T42T42-E44 WeakPolarHBondContact CB-OE2 3.38Å; T42-E44 PolarHBondContact O-N 3.49Å; T42-E44 PolarHBondContact OG1-N 2.78Å; T42-E44 PolarHBondContact OG1-OE2 2.94Å
45E95.3Very high95.5Very high46 Ų4673.5 Ų73.522%0.21542%0.424CS..THydrogen-bonded Turntrans-75.1-28.9175.7-67.4175.9139.100112.2R39 P41 T42R39-E45 IonicContact CZ-OE1 2.69Å; R39-E45 IonicContact CZ-OE2 3.92Å; R39-E45 IonicContact NH1-OE1 3.24Å; R39-E45 IonicContact NH1-OE2 3.82Å; R39-E45 PolarHBondContact NH1-OE2 3.17Å; R39-E45 IonicContact NH2-OE1 2.77Å; R39-E45 PolarHBondContact NH2-OE1 2.88Å; R39-E45 IonicContact NH2-OE2 2.93Å; P41-E45 VanDerWaalsContact CA-OE2 3.29Å; P41-E45 WeakPolarHBondContact CA-OE2 3.31Å; P41-E45 HydrophobicContact CB-CB 4.11Å; T42-E45 PolarHBondContact N-OE2 2.9Å; T42-E45 PolarHBondContact O-N 3.39Å; T42-E45 VanDerWaalsContact O-N 3.09Å; T42-E45 PolarHBondContact OG1-N 3.3Å
46L95.8Very high95.4Very high38 Ų3871.4 Ų71.420%0.19942%0.42CS..SBendtrans-140.683179.4-160161.3000110.9P41 T42 P43 L70 Y88P41-L46 HydrophobicContact CB-CB 4.12Å; P41-L46 HydrophobicContact CG-CB 4.18Å; P41-L46 HydrophobicContact CG-CD1 3.93Å; T42-L46 PolarHBondContact O-N 3.38Å; P43-L46 CarbonylContact O-C 3.6Å; P43-L46 VanDerWaalsContact O-C 3.29Å; L46-L70 HydrophobicContact CD1-CD1 4.31Å; L46-L70 HydrophobicContact CD1-CD2 4.12Å; L46-L70 HydrophobicContact CD2-CD1 4.12Å; L46-L70 HydrophobicContact CD2-CG 4.42Å; L46-L70 HydrophobicContact CG-CD2 4.39Å; L46-Y88 HydrophobicContact CD1-CD1 3.78Å; L46-Y88 HydrophobicContact CD1-CE1 3.7Å; L46-Y88 HydrophobicContact CD1-CG 4.4Å
47P95.9Very high95.3Very high49 Ų4973.4 Ų73.432%0.31844%0.442SS..  trans-67.4158.3177.9-20.333.2000113.5P43 Y68P43-P47 VanDerWaalsContact O-CA 3.3Å; P43-P47 WeakPolarHBondContact O-CA 3.28Å; P43-P47 VanDerWaalsContact O-N 3.17Å; P47-Y68 HydrophobicContact CB-CD1 3.97Å; P47-Y68 HydrophobicContact CB-CD2 3.95Å; P47-Y68 HydrophobicContact CB-CE1 4.21Å; P47-Y68 HydrophobicContact CB-CE2 4.15Å; P47-Y68 HydrophobicContact CB-CG 3.87Å; P47-Y68 HydrophobicContact CG-CD1 4.27Å; P47-Y68 HydrophobicContact CG-CG 4.25Å; P47-Y68 WeakPolarHBondContact O-CD2 3.45Å
48S94.9Very high95.3Very high64 Ų6468 Ų6845%0.44841%0.414SS..  trans-93.5139.9178.9179.70000112.5Y50 Y68S48-Y50 PolarHBondContact O-N 3.22Å; S48-Y50 PolarHBondContact OG-N 3.48Å; S48-Y50 PolarHBondContact OG-O 3.47Å; S48-Y68 WeakPolarHBondContact O-CE2 3.49Å; S48-Y68 PolarHBondContact O-OH 3.49Å; S48-Y68 VanDerWaalsContact O-OH 3.06Å
49C96.7Very high95.2Very high24 Ų2467.7 Ų67.716%0.16240%0.398CS..SBendtrans-85.1-1.4-177.3-67.20000113.4W55 C66 Y68 N69C49-W55 HydrophobicContact CB-CD2 4.08Å; C49-W55 HydrophobicContact CB-CE3 3.68Å; C49-W55 HydrophobicContact CB-CH2 3.29Å; C49-W55 HydrophobicContact CB-CZ2 3.68Å; C49-W55 HydrophobicContact CB-CZ3 3.28Å; C49-W55 PolarHBondContact O-NE1 3.04Å; C49-C66 HydrophobicContact CB-CB 3.86Å; C49-C66 WeakPolarHBondContact CB-SG 3.36Å; C49-C66 WeakPolarHBondContact SG-CB 3.39Å; C49-C66 CovalentContact SG-SG 2.04Å; C49-C66 PolarHBondContact SG-SG 2.68Å; C49-Y68 HydrophobicContact CB-CE2 3.86Å; C49-Y68 VanDerWaalsContact N-CE2 3.3Å; C49-Y68 VanDerWaalsContact SG-CD2 3.55Å; C49-Y68 WeakPolarHBondContact SG-CE2 3.45Å; C49-N69 VanDerWaalsContact SG-CA 3.54Å
50Y94.9Very high95.2Very high53 Ų5363.3 Ų63.321%0.20838%0.383CS..SBendtrans-143151.7-175.259.9-91000109.1T28 S48 D54 W55T28-Y50 WeakPolarHBondContact CB-OH 3.31Å; T28-Y50 HydrophobicContact CG2-CE1 4.14Å; T28-Y50 HydrophobicContact CG2-CE2 4.35Å; S48-Y50 PolarHBondContact O-N 3.22Å; S48-Y50 PolarHBondContact OG-N 3.48Å; S48-Y50 PolarHBondContact OG-O 3.47Å; Y50-D54 VanDerWaalsContact CD2-C 3.43Å; Y50-D54 WeakPolarHBondContact CD2-O 3.29Å; Y50-W55 HydrophobicContact CD1-CB 3.69Å; Y50-W55 HydrophobicContact CD1-CD2 4.38Å; Y50-W55 HydrophobicContact CD1-CE3 4.46Å; Y50-W55 HydrophobicContact CD1-CG 4.11Å; Y50-W55 HydrophobicContact CG-CB 3.8Å; Y50-W55 HydrophobicContact CG-CG 4.18Å
51E92.1Very high95.2Very high186 Ų18664.7 Ų64.787%0.86938%0.384SS*.SBendtrans-93.9153.2168.8-60.2-173.1171.100109.6
52G91.8Very high95.2Very high73 Ų7368.3 Ų68.375%0.75340%0.398SS*.SBendtrans77.8-139.6177.500000114.3
53T91.9Very high95.3Very high95 Ų9565.6 Ų65.658%0.58338%0.382SS*.SBendtrans-85.2-34.7-165.152.20000114.4K30K30-T53 PolarHBondContact NZ-O 3Å
54D94.4Very high95.5Very high53 Ų5361.2 Ų61.228%0.28335%0.353SS..  trans-164.2-179.4-174.657.467.5000111.6T28 Y50 S56T28-D54 HydrophobicContact CG2-CB 3.44Å; T28-D54 VanDerWaalsContact CG2-CB 3.44Å; Y50-D54 VanDerWaalsContact CD2-C 3.43Å; Y50-D54 WeakPolarHBondContact CD2-O 3.29Å; D54-S56 WeakPolarHBondContact OD1-CB 3.26Å; D54-S56 PolarHBondContact OD1-N 3Å; D54-S56 PolarHBondContact OD1-OG 3.13Å
55W96Very high95.6Very high34 Ų3458.4 Ų58.413%0.12934%0.343CS..  trans-110.235.7-179.4-152.29.9000112.1V23 C49 Y50 C58 E62 F63 C66V23-W55 HydrophobicContact CG1-CB 3.71Å; V23-W55 HydrophobicContact CG1-CD2 4.21Å; V23-W55 HydrophobicContact CG1-CE3 3.77Å; V23-W55 HydrophobicContact CG1-CG 4.24Å; C49-W55 HydrophobicContact CB-CD2 4.08Å; C49-W55 HydrophobicContact CB-CE3 3.68Å; C49-W55 HydrophobicContact CB-CH2 3.29Å; C49-W55 HydrophobicContact CB-CZ2 3.68Å; C49-W55 HydrophobicContact CB-CZ3 3.28Å; C49-W55 PolarHBondContact O-NE1 3.04Å; Y50-W55 HydrophobicContact CD1-CB 3.69Å; Y50-W55 HydrophobicContact CD1-CD2 4.38Å; Y50-W55 HydrophobicContact CD1-CE3 4.46Å; Y50-W55 HydrophobicContact CD1-CG 4.11Å; Y50-W55 HydrophobicContact CG-CB 3.8Å; Y50-W55 HydrophobicContact CG-CG 4.18Å; W55-C58 HydrophobicContact CD2-CB 4.1Å; W55-C58 HydrophobicContact CG-CB 3.9Å; W55-C58 PolarHBondContact O-N 3.46Å; W55-C58 PolarHBondContact O-SG 3.08Å; W55-E62 WeakPolarHBondContact CZ2-O 3.21Å; W55-F63 AromaticContact CE3-CD2 3.93Å; W55-F63 HydrophobicContact CE3-CD2 3.93Å; W55-F63 HydrophobicContact CE3-CE2 4.22Å; W55-F63 HydrophobicContact CH2-CB 4.41Å; W55-F63 AromaticContact CH2-CD2 3.88Å; W55-F63 HydrophobicContact CH2-CD2 3.88Å; W55-F63 HydrophobicContact CH2-CG 4.44Å; W55-F63 AromaticContact CZ3-CD2 3.45Å; W55-F63 HydrophobicContact CZ3-CD2 3.45Å; W55-F63 VanDerWaalsContact CZ3-CD2 3.45Å; W55-F63 AromaticContact CZ3-CE2 3.83Å; W55-F63 HydrophobicContact CZ3-CE2 3.83Å; W55-F63 HydrophobicContact CZ3-CG 4.39Å; W55-C66 HydrophobicContact CH2-CB 3.66Å; W55-C66 HydrophobicContact CZ2-CB 4.23Å
56S96.1Very high95.7Very high64 Ų6456.6 Ų56.645%0.44834%0.335SS..THydrogen-bonded Turntrans-60.5141.7179.1-620000111.4G26 D54 C58G26-S56 WeakPolarHBondContact CA-OG 3.27Å; G26-S56 PolarHBondContact N-OG 3.27Å; D54-S56 WeakPolarHBondContact OD1-CB 3.26Å; D54-S56 PolarHBondContact OD1-N 3Å; D54-S56 PolarHBondContact OD1-OG 3.13Å; S56-C58 PolarHBondContact O-N 3.47Å
57G94.9Very high95.8Very high56 Ų5660.1 Ų60.158%0.57736%0.361SS*.THydrogen-bonded Turntrans78.7-517900000115.4Q24 T59Q24-G57 PolarHBondContact O-N 3.04Å; G57-T59 PolarHBondContact O-N 2.93Å
58C96.4Very high95.7Very high4 Ų462.2 Ų62.23%0.02736%0.363CS..  trans-54.7136.1178.764.40000112.3W20 Q24 W55 S56W20-C58 PolarHBondContact NE1-O 3.41Å; W20-C58 VanDerWaalsContact NE1-O 3.12Å; Q24-C58 PolarHBondContact NE2-O 2.71Å; W55-C58 HydrophobicContact CD2-CB 4.1Å; W55-C58 HydrophobicContact CG-CB 3.9Å; W55-C58 PolarHBondContact O-N 3.46Å; W55-C58 PolarHBondContact O-SG 3.08Å; S56-C58 PolarHBondContact O-N 3.47Å
59T96.4Very high95.9Very high65 Ų6559.8 Ų59.840%0.39935%0.345SS..  trans-72.6162.3172.564.30000110.3W20 G57 Q61 E62 F63W20-T59 PolarHBondContact NE1-O 3.06Å; G57-T59 PolarHBondContact O-N 2.93Å; T59-Q61 PolarHBondContact O-N 3.42Å; T59-E62 WeakPolarHBondContact CB-OE2 3.29Å; T59-E62 PolarHBondContact N-OE2 3.43Å; T59-E62 VanDerWaalsContact OG1-CD 3.29Å; T59-E62 VanDerWaalsContact OG1-CG 3.26Å; T59-E62 WeakPolarHBondContact OG1-CG 3.19Å; T59-E62 PolarHBondContact OG1-N 3.23Å; T59-E62 PolarHBondContact OG1-OE2 2.85Å; T59-F63 WeakPolarHBondContact O-CB 3.32Å; T59-F63 PolarHBondContact O-N 2.94Å; T59-F63 VanDerWaalsContact O-N 3.08Å
60L96.6Very high95.9Very high21 Ų2160.4 Ų60.411%0.1135%0.346CS..Hα-helixtrans-63.1-35.1175-179.957.3000111.1L17 W20 F63 M64 V154 T158L17-L60 HydrophobicContact CD2-CD1 4.05Å; L17-L60 HydrophobicContact CD2-CD2 3.95Å; W20-L60 HydrophobicContact CB-CD1 4.36Å; W20-L60 HydrophobicContact CD2-CB 4.1Å; W20-L60 HydrophobicContact CD2-CD1 3.81Å; W20-L60 HydrophobicContact CD2-CG 4.49Å; W20-L60 HydrophobicContact CE3-CB 4.36Å; W20-L60 HydrophobicContact CE3-CD1 3.95Å; W20-L60 HydrophobicContact CG-CD1 3.95Å; W20-L60 HydrophobicContact CH2-CB 3.96Å; W20-L60 HydrophobicContact CZ2-CB 3.7Å; W20-L60 HydrophobicContact CZ3-CB 4.28Å; W20-L60 HydrophobicContact CZ3-CD2 4.42Å; L60-F63 WeakPolarHBondContact O-CB 3.34Å; L60-F63 PolarHBondContact O-N 2.99Å; L60-M64 HydrophobicContact CD1-CG 4.21Å; L60-M64 HydrophobicContact CD1-SD 4.39Å; L60-M64 HydrophobicContact CG-CE 4.08Å; L60-M64 HydrophobicContact CG-CG 4.49Å; L60-M64 HydrophobicContact CG-SD 4.27Å; L60-M64 WeakPolarHBondContact O-CG 3.48Å; L60-M64 PolarHBondContact O-N 3.45Å; L60-V154 HydrophobicContact CD2-CG1 3.6Å; L60-T158 HydrophobicContact CD2-CG2 3.74Å
61Q96.8Very high96.1Very high102 Ų10257.9 Ų57.948%0.47734%0.336SS..Hα-helixtrans-62.9-53178-171.159.546.800111.3T59 F63 M64 D65T59-Q61 PolarHBondContact O-N 3.42Å; Q61-F63 PolarHBondContact O-N 3.08Å; Q61-M64 PolarHBondContact O-N 3.05Å; Q61-D65 WeakPolarHBondContact CG-OD2 3.35Å; Q61-D65 PolarHBondContact NE2-OD1 2.86Å; Q61-D65 PolarHBondContact NE2-OD2 3.28Å; Q61-D65 WeakPolarHBondContact O-CB 3.5Å; Q61-D65 VanDerWaalsContact O-CG 3.23Å; Q61-D65 PolarHBondContact O-N 2.95Å
62E97.4Very high96.4Very high100 Ų10050.1 Ų50.147%0.46730%0.301SS..Hα-helixtrans-57.7-37.7175.6-69.2161.7144.800111.9W55 T59 D65 C66W55-E62 WeakPolarHBondContact CZ2-O 3.21Å; T59-E62 WeakPolarHBondContact CB-OE2 3.29Å; T59-E62 PolarHBondContact N-OE2 3.43Å; T59-E62 VanDerWaalsContact OG1-CD 3.29Å; T59-E62 VanDerWaalsContact OG1-CG 3.26Å; T59-E62 WeakPolarHBondContact OG1-CG 3.19Å; T59-E62 PolarHBondContact OG1-N 3.23Å; T59-E62 PolarHBondContact OG1-OE2 2.85Å; E62-D65 PolarHBondContact O-N 3.46Å; E62-C66 PolarHBondContact O-N 2.94Å
63F98Very high96.7Very high0 Ų048.2 Ų48.20%027%0.273CS..Hα-helixtrans-64.8-39.3177.1-167.9-100.1000112.6Y16 E19 W20 V23 W55 T59 L60 Q61 N69 A71Y16-F63 HydrophobicContact CD1-CD1 4.41Å; Y16-F63 HydrophobicContact CD1-CE1 4.18Å; Y16-F63 HydrophobicContact CD2-CE1 4.43Å; Y16-F63 AromaticContact CE1-CD1 3.54Å; Y16-F63 HydrophobicContact CE1-CD1 3.54Å; Y16-F63 AromaticContact CE1-CE1 3.61Å; Y16-F63 HydrophobicContact CE1-CE1 3.61Å; Y16-F63 HydrophobicContact CE2-CD1 4.43Å; Y16-F63 AromaticContact CE2-CE1 3.88Å; Y16-F63 HydrophobicContact CE2-CE1 3.88Å; Y16-F63 AromaticContact CZ-CD1 3.54Å; Y16-F63 AromaticContact CZ-CE1 3.43Å; Y16-F63 VanDerWaalsContact CZ-CE1 3.43Å; Y16-F63 WeakPolarHBondContact OH-CD1 3.24Å; Y16-F63 PolarHBondContact OH-O 3.35Å; E19-F63 HydrophobicContact CG-CZ 4.37Å; W20-F63 HydrophobicContact CB-CD1 3.68Å; W20-F63 HydrophobicContact CB-CD2 4.45Å; W20-F63 HydrophobicContact CB-CE1 3.73Å; W20-F63 HydrophobicContact CB-CE2 4.5Å; W20-F63 HydrophobicContact CB-CG 4.05Å; W20-F63 HydrophobicContact CB-CZ 4.14Å; W20-F63 AromaticContact CD1-CG 3.67Å; W20-F63 HydrophobicContact CG-CB 4.37Å; W20-F63 HydrophobicContact CG-CD1 4.18Å; W20-F63 HydrophobicContact CG-CG 4.16Å; V23-F63 HydrophobicContact CB-CE2 3.97Å; V23-F63 HydrophobicContact CG1-CD2 4.31Å; V23-F63 HydrophobicContact CG1-CE2 4Å; V23-F63 HydrophobicContact CG2-CE2 3.94Å; V23-F63 HydrophobicContact CG2-CZ 4.48Å; W55-F63 AromaticContact CE3-CD2 3.93Å; W55-F63 HydrophobicContact CE3-CD2 3.93Å; W55-F63 HydrophobicContact CE3-CE2 4.22Å; W55-F63 HydrophobicContact CH2-CB 4.41Å; W55-F63 AromaticContact CH2-CD2 3.88Å; W55-F63 HydrophobicContact CH2-CD2 3.88Å; W55-F63 HydrophobicContact CH2-CG 4.44Å; W55-F63 AromaticContact CZ3-CD2 3.45Å; W55-F63 HydrophobicContact CZ3-CD2 3.45Å; W55-F63 VanDerWaalsContact CZ3-CD2 3.45Å; W55-F63 AromaticContact CZ3-CE2 3.83Å; W55-F63 HydrophobicContact CZ3-CE2 3.83Å; W55-F63 HydrophobicContact CZ3-CG 4.39Å; T59-F63 WeakPolarHBondContact O-CB 3.32Å; T59-F63 PolarHBondContact O-N 2.94Å; T59-F63 VanDerWaalsContact O-N 3.08Å; L60-F63 WeakPolarHBondContact O-CB 3.34Å; L60-F63 PolarHBondContact O-N 2.99Å; Q61-F63 PolarHBondContact O-N 3.08Å; F63-N69 WeakPolarHBondContact CD1-ND2 3.08Å; F63-N69 WeakPolarHBondContact CD2-ND2 3.49Å; F63-N69 WeakPolarHBondContact CE1-ND2 3.05Å; F63-N69 VanDerWaalsContact CE2-ND2 3.32Å; F63-N69 WeakPolarHBondContact CE2-ND2 3.19Å; F63-N69 VanDerWaalsContact CZ-ND2 3.32Å; F63-N69 WeakPolarHBondContact CZ-ND2 3.41Å; F63-N69 PolarHBondContact O-ND2 3Å; F63-A71 HydrophobicContact CE1-CB 3.62Å; F63-A71 HydrophobicContact CZ-CB 3.44Å; F63-A71 VanDerWaalsContact CZ-CB 3.44Å
64M98Very high97.1Very high7 Ų745.9 Ų45.93%0.03425%0.254CS..Hα-helixtrans-76.2-31.8176.8-71.6-173.4-54.100113.4Y16 L60 Q61 C66 T158 R161 I162 L165Y16-M64 HydrophobicContact CE1-CG 3.99Å; L60-M64 HydrophobicContact CD1-CG 4.21Å; L60-M64 HydrophobicContact CD1-SD 4.39Å; L60-M64 HydrophobicContact CG-CE 4.08Å; L60-M64 HydrophobicContact CG-CG 4.49Å; L60-M64 HydrophobicContact CG-SD 4.27Å; L60-M64 WeakPolarHBondContact O-CG 3.48Å; L60-M64 PolarHBondContact O-N 3.45Å; Q61-M64 PolarHBondContact O-N 3.05Å; M64-C66 VanDerWaalsContact C-N 3.33Å; M64-C66 PolarHBondContact O-N 3.42Å; M64-T158 HydrophobicContact CE-CG2 4.1Å; M64-T158 HydrophobicContact SD-CG2 4.21Å; M64-R161 HydrophobicContact SD-CG 4.15Å; M64-I162 HydrophobicContact SD-CD1 4.3Å; M64-I162 HydrophobicContact SD-CG1 3.63Å; M64-L165 HydrophobicContact CB-CD1 3.76Å; M64-L165 HydrophobicContact CG-CD1 3.83Å; M64-L165 HydrophobicContact SD-CD1 4.45Å
65D97.8Very high97.3Very high92 Ų9244.2 Ų44.249%0.49224%0.244SC..Hα-helixtrans-78.4-18-174.2-72.1-20.1000113.5Q61 E62 P67Q61-D65 WeakPolarHBondContact CG-OD2 3.35Å; Q61-D65 PolarHBondContact NE2-OD1 2.86Å; Q61-D65 PolarHBondContact NE2-OD2 3.28Å; Q61-D65 WeakPolarHBondContact O-CB 3.5Å; Q61-D65 VanDerWaalsContact O-CG 3.23Å; Q61-D65 PolarHBondContact O-N 2.95Å; E62-D65 PolarHBondContact O-N 3.46Å; D65-P67 WeakPolarHBondContact O-CD 3.34Å
66C97.8Very high97.4Very high9 Ų942.6 Ų42.66%0.06124%0.238CC..  trans-71.3112.2175.8-179.10000111.6C49 W55 E62 M64 Y68 N69C49-C66 HydrophobicContact CB-CB 3.86Å; C49-C66 WeakPolarHBondContact CB-SG 3.36Å; C49-C66 WeakPolarHBondContact SG-CB 3.39Å; C49-C66 CovalentContact SG-SG 2.04Å; C49-C66 PolarHBondContact SG-SG 2.68Å; W55-C66 HydrophobicContact CH2-CB 3.66Å; W55-C66 HydrophobicContact CZ2-CB 4.23Å; E62-C66 PolarHBondContact O-N 2.94Å; M64-C66 VanDerWaalsContact C-N 3.33Å; M64-C66 PolarHBondContact O-N 3.42Å; C66-Y68 VanDerWaalsContact C-N 3.29Å; C66-Y68 PolarHBondContact O-N 2.83Å; C66-Y68 WeakPolarHBondContact SG-CD2 3.17Å; C66-Y68 WeakPolarHBondContact SG-CE2 3.27Å; C66-N69 HydrophobicContact CB-CB 4.1Å; C66-N69 WeakPolarHBondContact O-CB 3.2Å; C66-N69 PolarHBondContact O-N 2.79Å
67P95.9Very high97.5Very high112 Ų11241.2 Ų41.273%0.72722%0.223SC*.THydrogen-bonded Turntrans-71.1-23.3-173.227-32.8000113.5D65D65-P67 WeakPolarHBondContact O-CD 3.34Å
68Y95Very high97.7Very high93 Ų9344.8 Ų44.837%0.36523%0.227SC..THydrogen-bonded Turntrans-101.817.5179.848-98.1000112.1P47 S48 C49 C66 L70P47-Y68 HydrophobicContact CB-CD1 3.97Å; P47-Y68 HydrophobicContact CB-CD2 3.95Å; P47-Y68 HydrophobicContact CB-CE1 4.21Å; P47-Y68 HydrophobicContact CB-CE2 4.15Å; P47-Y68 HydrophobicContact CB-CG 3.87Å; P47-Y68 HydrophobicContact CG-CD1 4.27Å; P47-Y68 HydrophobicContact CG-CG 4.25Å; P47-Y68 WeakPolarHBondContact O-CD2 3.45Å; S48-Y68 WeakPolarHBondContact O-CE2 3.49Å; S48-Y68 PolarHBondContact O-OH 3.49Å; S48-Y68 VanDerWaalsContact O-OH 3.06Å; C49-Y68 HydrophobicContact CB-CE2 3.86Å; C49-Y68 VanDerWaalsContact N-CE2 3.3Å; C49-Y68 VanDerWaalsContact SG-CD2 3.55Å; C49-Y68 WeakPolarHBondContact SG-CE2 3.45Å; C66-Y68 VanDerWaalsContact C-N 3.29Å; C66-Y68 PolarHBondContact O-N 2.83Å; C66-Y68 WeakPolarHBondContact SG-CD2 3.17Å; C66-Y68 WeakPolarHBondContact SG-CE2 3.27Å; Y68-L70 PolarHBondContact O-N 3.31Å; Y68-L70 VanDerWaalsContact O-N 3.14Å
69N98.1Very high97.8Very high12 Ų1245.4 Ų45.46%0.06423%0.23CC..  trans-62.4116175.5-170.5-12.6000111.2C49 F63 C66 A71 N72C49-N69 VanDerWaalsContact SG-CA 3.54Å; F63-N69 WeakPolarHBondContact CD1-ND2 3.08Å; F63-N69 WeakPolarHBondContact CD2-ND2 3.49Å; F63-N69 WeakPolarHBondContact CE1-ND2 3.05Å; F63-N69 VanDerWaalsContact CE2-ND2 3.32Å; F63-N69 WeakPolarHBondContact CE2-ND2 3.19Å; F63-N69 VanDerWaalsContact CZ-ND2 3.32Å; F63-N69 WeakPolarHBondContact CZ-ND2 3.41Å; F63-N69 PolarHBondContact O-ND2 3Å; C66-N69 HydrophobicContact CB-CB 4.1Å; C66-N69 WeakPolarHBondContact O-CB 3.2Å; C66-N69 PolarHBondContact O-N 2.79Å; N69-A71 PolarHBondContact O-N 2.91Å; N69-A71 WeakPolarHBondContact OD1-CB 3.28Å; N69-A71 PolarHBondContact OD1-N 3.18Å; N69-N72 WeakPolarHBondContact O-CB 3.5Å; N69-N72 PolarHBondContact O-N 2.76Å
70L98.3Very high98Very high38 Ų3842.9 Ų42.920%0.19922%0.215CC..THydrogen-bonded Turntrans-65-8.5177.4-69.5-178.6000113.8L46 Y68 N72 R74 R77L46-L70 HydrophobicContact CD1-CD1 4.31Å; L46-L70 HydrophobicContact CD1-CD2 4.12Å; L46-L70 HydrophobicContact CD2-CD1 4.12Å; L46-L70 HydrophobicContact CD2-CG 4.42Å; L46-L70 HydrophobicContact CG-CD2 4.39Å; Y68-L70 PolarHBondContact O-N 3.31Å; Y68-L70 VanDerWaalsContact O-N 3.14Å; L70-N72 VanDerWaalsContact C-N 3.28Å; L70-R74 PolarHBondContact O-NE 3.42Å; L70-R74 PolarHBondContact O-NH2 3.45Å; L70-R77 PolarHBondContact O-NH1 3.01Å; L70-R77 PolarHBondContact O-NH2 3.49Å
71A98.5Very high98Very high0 Ų045.3 Ų45.30%023%0.228CC..THydrogen-bonded Turntrans-66.3-30.916800000112.2R15 Y16 E19 F63 N69 N73 R74 N166R15-A71 PolarHBondContact NH2-O 3.44Å; Y16-A71 HydrophobicContact CD2-CB 3.83Å; Y16-A71 HydrophobicContact CE2-CB 3.49Å; Y16-A71 VanDerWaalsContact CE2-CB 3.49Å; E19-A71 HydrophobicContact CG-CB 4.47Å; E19-A71 WeakPolarHBondContact OE1-CA 3.46Å; E19-A71 VanDerWaalsContact OE1-CB 3.27Å; E19-A71 WeakPolarHBondContact OE1-CB 3.48Å; F63-A71 HydrophobicContact CE1-CB 3.62Å; F63-A71 HydrophobicContact CZ-CB 3.44Å; F63-A71 VanDerWaalsContact CZ-CB 3.44Å; N69-A71 PolarHBondContact O-N 2.91Å; N69-A71 WeakPolarHBondContact OD1-CB 3.28Å; N69-A71 PolarHBondContact OD1-N 3.18Å; A71-N73 PolarHBondContact O-N 2.94Å; A71-R74 PolarHBondContact O-N 3.49Å; A71-N166 PolarHBondContact O-OD1 3.48Å
72N98.6Very high98.1Very high22 Ų2241.5 Ų41.512%0.11821%0.211CC..THydrogen-bonded Turntrans-64.7127.4179.8-63.2-18.5000110.2Y16 N69 L70 R74 R77Y16-N72 VanDerWaalsContact CE2-OD1 3.24Å; Y16-N72 WeakPolarHBondContact CE2-OD1 3.22Å; Y16-N72 PolarHBondContact OH-OD1 3.08Å; N69-N72 WeakPolarHBondContact O-CB 3.5Å; N69-N72 PolarHBondContact O-N 2.76Å; L70-N72 VanDerWaalsContact C-N 3.28Å; N72-R74 PolarHBondContact O-N 3.49Å; N72-R77 PolarHBondContact O-NH1 3.06Å
73N98.8Very high98.2Very high34 Ų3438.6 Ų38.618%0.18220%0.202CC..THydrogen-bonded Turntrans47.838.4178.8-65.4-55.7000113.7A71 Q75 R77 L165 N166 D167 L168 D169A71-N73 PolarHBondContact O-N 2.94Å; N73-Q75 PolarHBondContact O-N 3.32Å; N73-R77 WeakPolarHBondContact O-CB 3.2Å; N73-R77 PolarHBondContact O-N 3.18Å; N73-L165 PolarHBondContact ND2-O 3.42Å; N73-N166 PolarHBondContact N-OD1 3.29Å; N73-N166 VanDerWaalsContact OD1-CA 3.24Å; N73-N166 WeakPolarHBondContact OD1-CA 3.47Å; N73-N166 PolarHBondContact OD1-O 3.29Å; N73-D167 PolarHBondContact OD1-N 3.02Å; N73-L168 HydrophobicContact CB-CB 4.32Å; N73-L168 WeakPolarHBondContact OD1-CA 3.34Å; N73-L168 WeakPolarHBondContact OD1-CB 3.39Å; N73-L168 PolarHBondContact OD1-N 3.34Å; N73-D169 VanDerWaalsContact CA-OD1 3.32Å; N73-D169 WeakPolarHBondContact CA-OD1 3.1Å; N73-D169 PolarHBondContact OD1-N 3.12Å
74R98.8Very high98.2Very high45 Ų4542.7 Ų42.717%0.1722%0.223CC..Hα-helixtrans-61-43-173.7178.3178.8-72.1-79.71.3111.7E19 L70 A71 N72 R77 M78 D169E19-R74 VanDerWaalsContact CD-NE 3.27Å; E19-R74 IonicContact OE1-CZ 3.49Å; E19-R74 VanDerWaalsContact OE1-CZ 3.24Å; E19-R74 IonicContact OE1-NE 3.9Å; E19-R74 PolarHBondContact OE1-NE 2.89Å; E19-R74 VanDerWaalsContact OE1-NE 3.09Å; E19-R74 IonicContact OE1-NH2 3.59Å; E19-R74 PolarHBondContact OE1-NH2 2.98Å; E19-R74 WeakPolarHBondContact OE2-CD 3.31Å; E19-R74 IonicContact OE2-CZ 2.79Å; E19-R74 IonicContact OE2-NE 2.83Å; E19-R74 PolarHBondContact OE2-NE 3.35Å; E19-R74 IonicContact OE2-NH2 2.76Å; L70-R74 PolarHBondContact O-NE 3.42Å; L70-R74 PolarHBondContact O-NH2 3.45Å; A71-R74 PolarHBondContact O-N 3.49Å; N72-R74 PolarHBondContact O-N 3.49Å; R74-R77 PolarHBondContact O-N 3.47Å; R74-M78 HydrophobicContact CG-CG 4.13Å; R74-M78 HydrophobicContact CG-SD 3.58Å; R74-M78 VanDerWaalsContact CG-SD 3.58Å; R74-M78 VanDerWaalsContact O-CB 3.29Å; R74-M78 WeakPolarHBondContact O-CB 3.31Å; R74-M78 VanDerWaalsContact O-CG 3.24Å; R74-M78 WeakPolarHBondContact O-CG 3.39Å; R74-M78 PolarHBondContact O-N 3.43Å; R74-D169 PolarHBondContact N-OD2 2.93Å
75Q98.9Very high98.2Very high18 Ų1842.4 Ų42.48%0.08422%0.222CC..Hα-helixtrans-66.9-44.8-175.3-62.4178.8112.400110.7L9 R10 N73 M78 L79 D169 L172L9-Q75 VanDerWaalsContact CA-OE1 3.31Å; L9-Q75 HydrophobicContact CD2-CB 3.87Å; L9-Q75 HydrophobicContact CD2-CG 3.94Å; R10-Q75 PolarHBondContact O-NE2 2.9Å; R10-Q75 PolarHBondContact O-OE1 3.43Å; N73-Q75 PolarHBondContact O-N 3.32Å; Q75-M78 PolarHBondContact O-N 3.05Å; Q75-L79 VanDerWaalsContact O-CB 3.31Å; Q75-L79 WeakPolarHBondContact O-CB 3.32Å; Q75-L79 VanDerWaalsContact O-CG 3.29Å; Q75-L79 WeakPolarHBondContact O-CG 3.47Å; Q75-L79 PolarHBondContact O-N 3.44Å; Q75-L79 VanDerWaalsContact O-N 3.08Å; Q75-D169 WeakPolarHBondContact CB-OD1 3.49Å; Q75-D169 WeakPolarHBondContact CB-OD2 3.45Å; Q75-D169 WeakPolarHBondContact CG-OD2 3.36Å; Q75-D169 PolarHBondContact N-OD1 2.76Å; Q75-D169 PolarHBondContact N-OD2 3.41Å; Q75-D169 PolarHBondContact NE2-OD2 3.02Å; Q75-L172 HydrophobicContact CB-CD2 4.07Å
76V98.9Very high98.2Very high1 Ų138.7 Ų38.71%0.00621%0.206CC..Hα-helixtrans-60.4-52.1173.9168.70000110.6M78 L79 A80 L102 L103 A106 L168 D169 L172V76-M78 VanDerWaalsContact C-N 3.28Å; V76-M78 PolarHBondContact O-N 3.23Å; V76-L79 PolarHBondContact O-N 2.95Å; V76-A80 VanDerWaalsContact O-CB 3.24Å; V76-A80 WeakPolarHBondContact O-CB 3.33Å; V76-A80 PolarHBondContact O-N 3.29Å; V76-L102 HydrophobicContact CG1-CB 3.86Å; V76-L103 HydrophobicContact CG2-CD1 4.16Å; V76-A106 HydrophobicContact CB-CB 4.4Å; V76-A106 HydrophobicContact CG1-CB 4.15Å; V76-A106 HydrophobicContact CG2-CB 4.41Å; V76-L168 HydrophobicContact CB-CB 4.24Å; V76-L168 HydrophobicContact CG1-CB 4.23Å; V76-L168 HydrophobicContact CG1-CD1 4.37Å; V76-L168 HydrophobicContact CG2-CB 3.82Å; V76-L168 VanDerWaalsContact CG2-O 3.31Å; V76-L168 WeakPolarHBondContact CG2-O 3.22Å; V76-D169 WeakPolarHBondContact CG2-OD1 3.34Å; V76-D169 PolarHBondContact N-OD1 3.29Å; V76-L172 HydrophobicContact CB-CD2 4.4Å; V76-L172 HydrophobicContact CG2-CB 3.61Å; V76-L172 HydrophobicContact CG2-CD2 3.56Å; V76-L172 HydrophobicContact CG2-CG 4.15Å
77R98.7Very high98.1Very high34 Ų3438.6 Ų38.613%0.12821%0.205CC..Hα-helixtrans-60.1-37.8-177.9-171.8-173.865.8-110.7-2.2112.6L70 N72 N73 R74 L82L70-R77 PolarHBondContact O-NH1 3.01Å; L70-R77 PolarHBondContact O-NH2 3.49Å; N72-R77 PolarHBondContact O-NH1 3.06Å; N73-R77 WeakPolarHBondContact O-CB 3.2Å; N73-R77 PolarHBondContact O-N 3.18Å; R74-R77 PolarHBondContact O-N 3.47Å; R77-L82 HydrophobicContact CG-CD1 4.28Å; R77-L82 HydrophobicContact CG-CD2 3.98Å
78M98.7Very high98.2Very high132 Ų13234.5 Ų34.565%0.6518%0.175SC*.Hα-helixtrans-82-15.9-178.5-68.6-172.86900113.9R74 Q75 V76R74-M78 HydrophobicContact CG-CG 4.13Å; R74-M78 HydrophobicContact CG-SD 3.58Å; R74-M78 VanDerWaalsContact CG-SD 3.58Å; R74-M78 VanDerWaalsContact O-CB 3.29Å; R74-M78 WeakPolarHBondContact O-CB 3.31Å; R74-M78 VanDerWaalsContact O-CG 3.24Å; R74-M78 WeakPolarHBondContact O-CG 3.39Å; R74-M78 PolarHBondContact O-N 3.43Å; Q75-M78 PolarHBondContact O-N 3.05Å; V76-M78 VanDerWaalsContact C-N 3.28Å; V76-M78 PolarHBondContact O-N 3.23Å
79L98.8Very high98.3Very high17 Ų1733.1 Ų33.19%0.08917%0.174CC..Hα-helixtrans-101.3-24.1177.5-72173.7000113.5T7 L9 Q75 V76 A106 N109 L110 M113 L172T7-L79 HydrophobicContact CG2-CD2 4.22Å; L9-L79 HydrophobicContact CD2-CD1 3.85Å; Q75-L79 VanDerWaalsContact O-CB 3.31Å; Q75-L79 WeakPolarHBondContact O-CB 3.32Å; Q75-L79 VanDerWaalsContact O-CG 3.29Å; Q75-L79 WeakPolarHBondContact O-CG 3.47Å; Q75-L79 PolarHBondContact O-N 3.44Å; Q75-L79 VanDerWaalsContact O-N 3.08Å; V76-L79 PolarHBondContact O-N 2.95Å; L79-A106 HydrophobicContact CB-CB 3.97Å; L79-N109 VanDerWaalsContact O-CB 3.31Å; L79-N109 WeakPolarHBondContact O-CB 3.42Å; L79-N109 PolarHBondContact O-ND2 2.94Å; L79-L110 HydrophobicContact CD1-CB 4.45Å; L79-L110 HydrophobicContact CD1-CD1 4.06Å; L79-M113 HydrophobicContact CD2-CE 3.44Å; L79-M113 VanDerWaalsContact CD2-CE 3.44Å; L79-M113 HydrophobicContact CD2-SD 4.41Å; L79-L172 HydrophobicContact CD1-CD2 3.96Å
80A98.8Very high98Very high12 Ų1237.9 Ų37.910%0.09920%0.197CC..SBendtrans-73.2154.2177.400000112.2V76 L82 L102 A106V76-A80 VanDerWaalsContact O-CB 3.24Å; V76-A80 WeakPolarHBondContact O-CB 3.33Å; V76-A80 PolarHBondContact O-N 3.29Å; A80-L82 HydrophobicContact CB-CD2 4.47Å; A80-L82 PolarHBondContact O-N 2.9Å; A80-L102 HydrophobicContact CB-CB 4.41Å; A80-L102 HydrophobicContact CB-CD2 3.67Å; A80-L102 WeakPolarHBondContact CB-O 3.42Å; A80-A106 HydrophobicContact CB-CB 4.26Å
81D98.6Very high97.9Very high72 Ų7241.4 Ų41.439%0.38523%0.225SC..  trans-78.3107.8161.2-176.3-8.5000109.3S83 L84 S105D81-S83 VanDerWaalsContact C-N 3.3Å; D81-S83 VanDerWaalsContact CG-OG 3.26Å; D81-S83 PolarHBondContact O-N 3.44Å; D81-S83 WeakPolarHBondContact OD1-CB 3.38Å; D81-S83 PolarHBondContact OD1-N 3.06Å; D81-S83 PolarHBondContact OD1-OG 2.67Å; D81-S83 PolarHBondContact OD2-OG 2.98Å; D81-L84 HydrophobicContact CB-CD1 3.93Å; D81-L84 HydrophobicContact CB-CG 4.02Å; D81-S105 PolarHBondContact N-OG 3.4Å
82L98.5Very high97.7Very high21 Ų2147.1 Ų47.111%0.1125%0.25CS..G310 helixtrans-74.2-18.9-177.2-60.1-176000113.2R77 A80 L84 V85 C87 Y88 L102R77-L82 HydrophobicContact CG-CD1 4.28Å; R77-L82 HydrophobicContact CG-CD2 3.98Å; A80-L82 HydrophobicContact CB-CD2 4.47Å; A80-L82 PolarHBondContact O-N 2.9Å; L82-L84 PolarHBondContact O-N 3.26Å; L82-V85 VanDerWaalsContact O-CG2 3.27Å; L82-V85 WeakPolarHBondContact O-CG2 3.43Å; L82-V85 PolarHBondContact O-N 3.49Å; L82-V85 VanDerWaalsContact O-N 3.14Å; L82-C87 WeakPolarHBondContact O-CA 3.47Å; L82-C87 PolarHBondContact O-N 3.14Å; L82-Y88 HydrophobicContact CD1-CE1 4.41Å; L82-Y88 HydrophobicContact CD1-CE2 4.12Å; L82-L102 HydrophobicContact CD2-CD2 3.56Å
83S98.3Very high97.6Very high39 Ų3947.5 Ų47.527%0.27325%0.252SS..G310 helixtrans-61.7-32177.369.90000111.4D37 D81 V85 G86D37-S83 WeakPolarHBondContact OD1-CB 3.49Å; D81-S83 VanDerWaalsContact C-N 3.3Å; D81-S83 VanDerWaalsContact CG-OG 3.26Å; D81-S83 PolarHBondContact O-N 3.44Å; D81-S83 WeakPolarHBondContact OD1-CB 3.38Å; D81-S83 PolarHBondContact OD1-N 3.06Å; D81-S83 PolarHBondContact OD1-OG 2.67Å; D81-S83 PolarHBondContact OD2-OG 2.98Å; S83-V85 PolarHBondContact O-N 3.15Å; S83-G86 PolarHBondContact O-N 2.95Å; S83-G86 VanDerWaalsContact O-N 3.17Å
84L98.3Very high97.5Very high87 Ų8750.4 Ų50.446%0.45527%0.273SS..G310 helixtrans-60-19.5178-58.9178.4000113.8D81 L82 I101D81-L84 HydrophobicContact CB-CD1 3.93Å; D81-L84 HydrophobicContact CB-CG 4.02Å; L82-L84 PolarHBondContact O-N 3.26Å; L84-I101 HydrophobicContact CB-CG2 3.71Å; L84-I101 HydrophobicContact CD1-CG2 4.22Å
85V98Very high97.4Very high0 Ų055.3 Ų55.30%030%0.298CS..G310 helixtrans-121.717.9-177-59.40000113.1L82 S83 F92 I93 R98 I101 L102L82-V85 VanDerWaalsContact O-CG2 3.27Å; L82-V85 WeakPolarHBondContact O-CG2 3.43Å; L82-V85 PolarHBondContact O-N 3.49Å; L82-V85 VanDerWaalsContact O-N 3.14Å; S83-V85 PolarHBondContact O-N 3.15Å; V85-F92 WeakPolarHBondContact O-CD1 3.19Å; V85-I93 HydrophobicContact CB-CD1 3.88Å; V85-I93 HydrophobicContact CG1-CD1 3.76Å; V85-R98 HydrophobicContact CB-CG 4Å; V85-R98 HydrophobicContact CG1-CG 4.09Å; V85-R98 HydrophobicContact CG2-CG 4.36Å; V85-R98 PolarHBondContact O-NH1 2.9Å; V85-I101 HydrophobicContact CG1-CB 3.85Å; V85-I101 HydrophobicContact CG1-CD1 4.48Å; V85-I101 HydrophobicContact CG1-CG2 3.56Å; V85-L102 HydrophobicContact CG1-CD2 4.21Å; V85-L102 HydrophobicContact CG1-CG 4.1Å; V85-L102 HydrophobicContact CG2-CD2 3.75Å; V85-L102 HydrophobicContact CG2-CG 4.21Å
86G97.3Very high97.2Very high15 Ų1561.1 Ų61.116%0.15533%0.329CS..THydrogen-bonded Turntrans71.734.8-178.400000112.9S83 Y88 N89S83-G86 PolarHBondContact O-N 2.95Å; S83-G86 VanDerWaalsContact O-N 3.17Å; G86-Y88 PolarHBondContact O-N 2.9Å; G86-N89 WeakPolarHBondContact O-CB 3.34Å; G86-N89 PolarHBondContact O-N 3.39Å; G86-N89 VanDerWaalsContact O-N 3.08Å
87C97.6Very high97.2Very high7 Ų766.8 Ų66.85%0.04735%0.354CS..THydrogen-bonded Turntrans55.6-125.7178.7-60.70000112.1C36 D37 L82 N89 R98C36-C87 HydrophobicContact CB-CB 3.6Å; C36-C87 WeakPolarHBondContact CB-SG 3.24Å; C36-C87 VanDerWaalsContact SG-CA 3.53Å; C36-C87 WeakPolarHBondContact SG-CB 3.23Å; C36-C87 CovalentContact SG-SG 2.03Å; C36-C87 PolarHBondContact SG-SG 3.32Å; D37-C87 PolarHBondContact OD2-SG 3.15Å; L82-C87 WeakPolarHBondContact O-CA 3.47Å; L82-C87 PolarHBondContact O-N 3.14Å; C87-N89 VanDerWaalsContact C-N 3.35Å; C87-R98 PolarHBondContact O-NH1 3.43Å; C87-R98 VanDerWaalsContact O-NH1 3.13Å; C87-R98 PolarHBondContact O-NH2 3.31Å
88Y97Very high97.2Very high26 Ų2666.1 Ų66.110%0.10235%0.351CS..THydrogen-bonded Turntrans-88.91.8-179.1-66-83.1000113.5H34 C36 P41 L46 L82 G86 M90H34-Y88 HydrophobicContact CB-CE2 3.78Å; H34-Y88 AromaticContact ND1-CZ 3.97Å; H34-Y88 PolarHBondContact ND1-OH 3.14Å; H34-Y88 VanDerWaalsContact ND1-OH 3.14Å; H34-Y88 WeakPolarHBondContact O-CE2 3.45Å; C36-Y88 HydrophobicContact CB-CE2 4.49Å; P41-Y88 HydrophobicContact CB-CD2 3.85Å; P41-Y88 HydrophobicContact CB-CG 4Å; P41-Y88 HydrophobicContact CG-CD2 3.95Å; P41-Y88 HydrophobicContact CG-CE2 4.26Å; P41-Y88 HydrophobicContact CG-CG 4.33Å; L46-Y88 HydrophobicContact CD1-CD1 3.78Å; L46-Y88 HydrophobicContact CD1-CE1 3.7Å; L46-Y88 HydrophobicContact CD1-CG 4.4Å; L82-Y88 HydrophobicContact CD1-CE1 4.41Å; L82-Y88 HydrophobicContact CD1-CE2 4.12Å; G86-Y88 PolarHBondContact O-N 2.9Å; Y88-M90 PolarHBondContact O-N 2.85Å; Y88-M90 VanDerWaalsContact O-N 3.1Å
89N96.2Very high97.1Very high63 Ų6361 Ų6134%0.33733%0.33SS..  trans-76.399.9174.1-176.8-4.2000110.5G86 C87 S91 F92 R98G86-N89 WeakPolarHBondContact O-CB 3.34Å; G86-N89 PolarHBondContact O-N 3.39Å; G86-N89 VanDerWaalsContact O-N 3.08Å; C87-N89 VanDerWaalsContact C-N 3.35Å; N89-S91 PolarHBondContact O-N 3.4Å; N89-S91 WeakPolarHBondContact OD1-CB 3.29Å; N89-S91 PolarHBondContact OD1-N 3.47Å; N89-F92 HydrophobicContact CB-CB 4.44Å; N89-F92 WeakPolarHBondContact O-CB 3.31Å; N89-F92 PolarHBondContact O-N 3.23Å; N89-R98 PolarHBondContact O-NH1 3.39Å
90M93.3Very high97.1Very high112 Ų11266.5 Ų66.555%0.55236%0.355SS*.THydrogen-bonded Turntrans-67.2-19.8-179.3-64.1-61.2-69.300113.5Y88 R98Y88-M90 PolarHBondContact O-N 2.85Å; Y88-M90 VanDerWaalsContact O-N 3.1Å; M90-R98 VanDerWaalsContact SD-CZ 3.56Å; M90-R98 PolarHBondContact SD-NE 3.43Å; M90-R98 VanDerWaalsContact SD-NE 3.36Å
91S94.9Very high97.1Very high113 Ų11368.3 Ų68.379%0.7936%0.363SS*.THydrogen-bonded Turntrans-86.2-5.4179.8-57.20000113.6N89 I93N89-S91 PolarHBondContact O-N 3.4Å; N89-S91 WeakPolarHBondContact OD1-CB 3.29Å; N89-S91 PolarHBondContact OD1-N 3.47Å; S91-I93 PolarHBondContact O-N 3.02Å
92F95.2Very high97.1Very high120 Ų12065.6 Ų65.653%0.52635%0.348SS..SBendtrans-63.9-40.3-176.2179.8-108.5000112.8V85 N89V85-F92 WeakPolarHBondContact O-CD1 3.19Å; N89-F92 HydrophobicContact CB-CB 4.44Å; N89-F92 WeakPolarHBondContact O-CB 3.31Å; N89-F92 PolarHBondContact O-N 3.23Å
93I96.3Very high97.1Very high29 Ų2965 Ų6515%0.14935%0.345CS..SBendtrans-145.7154.6178.651.4168.7000110.4V85 S91 R98 I101V85-I93 HydrophobicContact CB-CD1 3.88Å; V85-I93 HydrophobicContact CG1-CD1 3.76Å; S91-I93 PolarHBondContact O-N 3.02Å; I93-R98 HydrophobicContact CD1-CB 3.78Å; I93-R98 HydrophobicContact CD1-CG 4.32Å; I93-R98 HydrophobicContact CG1-CB 3.94Å; I93-R98 HydrophobicContact CG1-CG 4.49Å; I93-I101 HydrophobicContact CD1-CD1 3.9Å
94P97.6Very high97.2Very high96 Ų9667.9 Ų67.962%0.62335%0.354SS*.  trans-56.6141.8177.1-24.934.2000112.7N96 K97 R98P94-N96 PolarHBondContact O-N 2.97Å; P94-K97 WeakPolarHBondContact O-CB 3.47Å; P94-K97 PolarHBondContact O-N 3.34Å; P94-R98 PolarHBondContact O-N 3.2Å
95E95Very high97.2Very high147 Ų14764.3 Ų64.369%0.68734%0.336SS*.Hα-helixtrans-52.9-46.6-173.4-174.4175.8-174.600113.4K97 R98 A99E95-K97 VanDerWaalsContact C-N 3.29Å; E95-K97 PolarHBondContact O-N 2.8Å; E95-R98 WeakPolarHBondContact O-CB 3.31Å; E95-R98 PolarHBondContact O-N 3.24Å; E95-R98 VanDerWaalsContact O-N 3.14Å; E95-A99 WeakPolarHBondContact O-CB 3.36Å; E95-A99 PolarHBondContact O-N 3.47Å
96N96.1Very high97.2Very high141 Ų14164.3 Ų64.375%0.75434%0.336SS*.Hα-helixtrans-59.8-40.3178.7-68.4-19.7000112.4P94 Q100P94-N96 PolarHBondContact O-N 2.97Å; N96-Q100 PolarHBondContact O-N 3.02Å
97K97.9Very high97.3Very high120 Ų12065.4 Ų65.452%0.52234%0.337SS..Hα-helixtrans-72-38.6177.8-170.5173.9-177.6179.50111P94 E95 Q100 I101P94-K97 WeakPolarHBondContact O-CB 3.47Å; P94-K97 PolarHBondContact O-N 3.34Å; E95-K97 VanDerWaalsContact C-N 3.29Å; E95-K97 PolarHBondContact O-N 2.8Å; K97-Q100 PolarHBondContact O-N 3.28Å; K97-I101 HydrophobicContact CG-CD1 4.07Å; K97-I101 VanDerWaalsContact O-CG1 3.32Å; K97-I101 WeakPolarHBondContact O-CG1 3.38Å; K97-I101 PolarHBondContact O-N 3.48Å
98R98.2Very high97.4Very high20 Ų2070.8 Ų70.88%0.07536%0.359CS..Hα-helixtrans-58.3-50.4173.8-178.2174.8175.694.83.5111.3V85 C87 N89 M90 I93 P94 E95 Q100 I101 L102V85-R98 HydrophobicContact CB-CG 4Å; V85-R98 HydrophobicContact CG1-CG 4.09Å; V85-R98 HydrophobicContact CG2-CG 4.36Å; V85-R98 PolarHBondContact O-NH1 2.9Å; C87-R98 PolarHBondContact O-NH1 3.43Å; C87-R98 VanDerWaalsContact O-NH1 3.13Å; C87-R98 PolarHBondContact O-NH2 3.31Å; N89-R98 PolarHBondContact O-NH1 3.39Å; M90-R98 VanDerWaalsContact SD-CZ 3.56Å; M90-R98 PolarHBondContact SD-NE 3.43Å; M90-R98 VanDerWaalsContact SD-NE 3.36Å; I93-R98 HydrophobicContact CD1-CB 3.78Å; I93-R98 HydrophobicContact CD1-CG 4.32Å; I93-R98 HydrophobicContact CG1-CB 3.94Å; I93-R98 HydrophobicContact CG1-CG 4.49Å; P94-R98 PolarHBondContact O-N 3.2Å; E95-R98 WeakPolarHBondContact O-CB 3.31Å; E95-R98 PolarHBondContact O-N 3.24Å; E95-R98 VanDerWaalsContact O-N 3.14Å; R98-Q100 PolarHBondContact O-N 3.03Å; R98-I101 PolarHBondContact O-N 2.62Å; R98-L102 HydrophobicContact CG-CD1 3.97Å; R98-L102 HydrophobicContact CG-CG 4.46Å; R98-L102 WeakPolarHBondContact O-CB 3.31Å; R98-L102 VanDerWaalsContact O-CG 3.32Å; R98-L102 WeakPolarHBondContact O-CG 3.47Å; R98-L102 PolarHBondContact O-N 2.83Å
99A98Very high97.5Very high24 Ų2472 Ų7220%0.19837%0.368CS..Hα-helixtrans-56.6-47.4178.900000111.9E95 L102 L103 L168E95-A99 WeakPolarHBondContact O-CB 3.36Å; E95-A99 PolarHBondContact O-N 3.47Å; A99-L102 PolarHBondContact O-N 3.14Å; A99-L103 WeakPolarHBondContact O-CB 3.22Å; A99-L103 PolarHBondContact O-N 2.93Å; A99-L168 HydrophobicContact CB-CD1 3.89Å; A99-L168 HydrophobicContact CB-CD2 3.94Å; A99-L168 HydrophobicContact CB-CG 4.49Å
100Q98.5Very high97.6Very high133 Ų13369 Ų6962%0.62135%0.351SS*.Hα-helixtrans-61.3-46.9177.6-171.5-178.410.600112.4N96 K97 R98 L102 L103 E104N96-Q100 PolarHBondContact O-N 3.02Å; K97-Q100 PolarHBondContact O-N 3.28Å; R98-Q100 PolarHBondContact O-N 3.03Å; Q100-L102 PolarHBondContact O-N 3.17Å; Q100-L103 PolarHBondContact O-N 3.34Å; Q100-E104 WeakPolarHBondContact O-CG 3.25Å; Q100-E104 PolarHBondContact O-N 3.26Å; Q100-E104 VanDerWaalsContact O-N 3.08Å
101I98.7Very high97.8Very high49 Ų4969 Ų6925%0.25135%0.349SS..Hα-helixtrans-62.6-44.3179.5-68.7167.9000110.8L84 V85 I93 K97 R98 S105L84-I101 HydrophobicContact CB-CG2 3.71Å; L84-I101 HydrophobicContact CD1-CG2 4.22Å; V85-I101 HydrophobicContact CG1-CB 3.85Å; V85-I101 HydrophobicContact CG1-CD1 4.48Å; V85-I101 HydrophobicContact CG1-CG2 3.56Å; I93-I101 HydrophobicContact CD1-CD1 3.9Å; K97-I101 HydrophobicContact CG-CD1 4.07Å; K97-I101 VanDerWaalsContact O-CG1 3.32Å; K97-I101 WeakPolarHBondContact O-CG1 3.38Å; K97-I101 PolarHBondContact O-N 3.48Å; R98-I101 PolarHBondContact O-N 2.62Å; I101-S105 WeakPolarHBondContact O-CB 3.41Å; I101-S105 PolarHBondContact O-N 3.01Å
102L98.8Very high98Very high15 Ų1568.2 Ų68.28%0.07934%0.336CS..Hα-helixtrans-61.9-46.3178.7-73.7175.4000111.7V76 A80 L82 V85 R98 A99 Q100 S105 A106V76-L102 HydrophobicContact CG1-CB 3.86Å; A80-L102 HydrophobicContact CB-CB 4.41Å; A80-L102 HydrophobicContact CB-CD2 3.67Å; A80-L102 WeakPolarHBondContact CB-O 3.42Å; L82-L102 HydrophobicContact CD2-CD2 3.56Å; V85-L102 HydrophobicContact CG1-CD2 4.21Å; V85-L102 HydrophobicContact CG1-CG 4.1Å; V85-L102 HydrophobicContact CG2-CD2 3.75Å; V85-L102 HydrophobicContact CG2-CG 4.21Å; R98-L102 HydrophobicContact CG-CD1 3.97Å; R98-L102 HydrophobicContact CG-CG 4.46Å; R98-L102 WeakPolarHBondContact O-CB 3.31Å; R98-L102 VanDerWaalsContact O-CG 3.32Å; R98-L102 WeakPolarHBondContact O-CG 3.47Å; R98-L102 PolarHBondContact O-N 2.83Å; A99-L102 PolarHBondContact O-N 3.14Å; Q100-L102 PolarHBondContact O-N 3.17Å; L102-S105 PolarHBondContact O-N 2.95Å; L102-A106 WeakPolarHBondContact O-CB 3.38Å; L102-A106 PolarHBondContact O-N 2.88Å
103L98.9Very high98.2Very high8 Ų864 Ų644%0.04232%0.318CS..Hα-helixtrans-61.9-47.9-179.918060.4000111.7V76 A99 Q100 A106 K107 Q171 L172V76-L103 HydrophobicContact CG2-CD1 4.16Å; A99-L103 WeakPolarHBondContact O-CB 3.22Å; A99-L103 PolarHBondContact O-N 2.93Å; Q100-L103 PolarHBondContact O-N 3.34Å; L103-A106 PolarHBondContact O-N 2.81Å; L103-K107 HydrophobicContact CD1-CG 4.4Å; L103-K107 HydrophobicContact CG-CD 4.38Å; L103-K107 WeakPolarHBondContact O-CG 3.31Å; L103-K107 PolarHBondContact O-N 2.87Å; L103-Q171 HydrophobicContact CD1-CB 4.11Å; L103-Q171 HydrophobicContact CD2-CB 3.87Å; L103-Q171 HydrophobicContact CD2-CG 4.49Å; L103-L172 HydrophobicContact CD1-CB 3.96Å
104E98.9Very high98.3Very high100 Ų10064.2 Ų64.247%0.46732%0.324SS..Hα-helixtrans-67-38.3-180-67.8-53.8121.700112.1Q100 K107 K108Q100-E104 WeakPolarHBondContact O-CG 3.25Å; Q100-E104 PolarHBondContact O-N 3.26Å; Q100-E104 VanDerWaalsContact O-N 3.08Å; E104-K107 PolarHBondContact O-N 3.36Å; E104-K107 IonicContact OE1-NZ 3.6Å; E104-K107 PolarHBondContact OE1-NZ 2.83Å; E104-K108 WeakPolarHBondContact O-CB 3.38Å; E104-K108 PolarHBondContact O-N 2.91Å
105S98.9Very high98.3Very high12 Ų1260.1 Ų60.18%0.08430%0.296CS..Hα-helixtrans-61.4-46.5172.8-172.70000111.7D81 I101 L102 K108 N109D81-S105 PolarHBondContact N-OG 3.4Å; I101-S105 WeakPolarHBondContact O-CB 3.41Å; I101-S105 PolarHBondContact O-N 3.01Å; L102-S105 PolarHBondContact O-N 2.95Å; S105-K108 PolarHBondContact O-N 3.14Å; S105-N109 WeakPolarHBondContact O-CB 3.4Å; S105-N109 VanDerWaalsContact O-CG 3.27Å; S105-N109 PolarHBondContact O-N 2.98Å
106A98.9Very high98.5Very high0 Ų053.2 Ų53.20%026%0.264CS..Hα-helixtrans-63.1-44.9177.900000112.4V76 L79 A80 L102 L103 K108 N109 L110 L172V76-A106 HydrophobicContact CB-CB 4.4Å; V76-A106 HydrophobicContact CG1-CB 4.15Å; V76-A106 HydrophobicContact CG2-CB 4.41Å; L79-A106 HydrophobicContact CB-CB 3.97Å; A80-A106 HydrophobicContact CB-CB 4.26Å; L102-A106 WeakPolarHBondContact O-CB 3.38Å; L102-A106 PolarHBondContact O-N 2.88Å; L103-A106 PolarHBondContact O-N 2.81Å; A106-K108 VanDerWaalsContact C-N 3.35Å; A106-K108 PolarHBondContact O-N 3.41Å; A106-N109 PolarHBondContact O-N 3.46Å; A106-L110 WeakPolarHBondContact O-CB 3.18Å; A106-L110 PolarHBondContact O-N 3.19Å; A106-L172 HydrophobicContact CB-CD1 4.11Å; A106-L172 HydrophobicContact CB-CD2 4.22Å
107K98.9Very high98.6Very high38 Ų3846.5 Ų46.517%0.16523%0.228CC..Hα-helixtrans-60.1-44.2176.1-73.8177.2-175161.60111.7L103 E104 K111 L172 Y175L103-K107 HydrophobicContact CD1-CG 4.4Å; L103-K107 HydrophobicContact CG-CD 4.38Å; L103-K107 WeakPolarHBondContact O-CG 3.31Å; L103-K107 PolarHBondContact O-N 2.87Å; E104-K107 PolarHBondContact O-N 3.36Å; E104-K107 IonicContact OE1-NZ 3.6Å; E104-K107 PolarHBondContact OE1-NZ 2.83Å; K107-K111 VanDerWaalsContact O-CB 3.28Å; K107-K111 WeakPolarHBondContact O-CB 3.47Å; K107-K111 PolarHBondContact O-N 2.86Å; K107-L172 HydrophobicContact CG-CD1 3.88Å; K107-Y175 HydrophobicContact CB-CD1 4.03Å; K107-Y175 HydrophobicContact CB-CE1 3.77Å; K107-Y175 HydrophobicContact CD-CD1 4.29Å; K107-Y175 HydrophobicContact CD-CD2 4.3Å; K107-Y175 HydrophobicContact CD-CG 4.09Å; K107-Y175 HydrophobicContact CG-CD1 3.65Å; K107-Y175 HydrophobicContact CG-CE1 3.94Å; K107-Y175 HydrophobicContact CG-CG 3.95Å
108K98.9Very high98.6Very high120 Ų12040.8 Ų40.852%0.52220%0.203SC..Hα-helixtrans-62.3-53.4177.3-176.4-170.7173.4-580110.7E104 S105 A106 L110 K111 D112E104-K108 WeakPolarHBondContact O-CB 3.38Å; E104-K108 PolarHBondContact O-N 2.91Å; S105-K108 PolarHBondContact O-N 3.14Å; A106-K108 VanDerWaalsContact C-N 3.35Å; A106-K108 PolarHBondContact O-N 3.41Å; K108-L110 PolarHBondContact O-N 2.98Å; K108-K111 WeakPolarHBondContact O-CB 3.42Å; K108-K111 PolarHBondContact O-N 3Å; K108-D112 IonicContact NZ-OD2 3.09Å; K108-D112 PolarHBondContact NZ-OD2 2.9Å; K108-D112 WeakPolarHBondContact O-CB 3.43Å; K108-D112 VanDerWaalsContact O-CG 3.26Å; K108-D112 PolarHBondContact O-N 3Å
109N98.8Very high98.6Very high51 Ų5141.7 Ų41.727%0.27321%0.211SC..Hα-helixtrans-60.8-44.7-178-71.5-11.6000111.6L79 S105 A106 K111 D112 M113L79-N109 VanDerWaalsContact O-CB 3.31Å; L79-N109 WeakPolarHBondContact O-CB 3.42Å; L79-N109 PolarHBondContact O-ND2 2.94Å; S105-N109 WeakPolarHBondContact O-CB 3.4Å; S105-N109 VanDerWaalsContact O-CG 3.27Å; S105-N109 PolarHBondContact O-N 2.98Å; A106-N109 PolarHBondContact O-N 3.46Å; N109-K111 VanDerWaalsContact C-N 3.35Å; N109-K111 PolarHBondContact O-N 3.25Å; N109-D112 PolarHBondContact O-N 3.43Å; N109-M113 WeakPolarHBondContact O-CG 3.32Å; N109-M113 PolarHBondContact O-N 3.3Å
110L98.8Very high98.4Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-60.3-42.5175.9-17770.6000112.5T7 L9 L79 A106 K108 D112 M113 F116 L172 A176T7-L110 HydrophobicContact CG2-CD1 3.64Å; L9-L110 HydrophobicContact CD1-CD1 3.85Å; L9-L110 HydrophobicContact CD1-CD2 3.52Å; L9-L110 HydrophobicContact CD1-CG 4.34Å; L9-L110 HydrophobicContact CG-CD1 4.47Å; L79-L110 HydrophobicContact CD1-CB 4.45Å; L79-L110 HydrophobicContact CD1-CD1 4.06Å; A106-L110 WeakPolarHBondContact O-CB 3.18Å; A106-L110 PolarHBondContact O-N 3.19Å; K108-L110 PolarHBondContact O-N 2.98Å; L110-D112 VanDerWaalsContact C-N 3.32Å; L110-M113 PolarHBondContact O-N 3.31Å; L110-F116 HydrophobicContact CD1-CB 3.76Å; L110-F116 HydrophobicContact CD1-CD1 3.83Å; L110-F116 HydrophobicContact CD1-CD2 4.13Å; L110-F116 HydrophobicContact CD1-CE1 4.47Å; L110-F116 HydrophobicContact CD1-CG 3.64Å; L110-F116 HydrophobicContact CD2-CE1 4.48Å; L110-F116 HydrophobicContact CD2-CE2 4.45Å; L110-F116 HydrophobicContact CD2-CZ 4.4Å; L110-F116 HydrophobicContact CG-CD1 3.9Å; L110-F116 HydrophobicContact CG-CE1 4.08Å; L110-F116 HydrophobicContact CG-CG 4.15Å; L110-F116 HydrophobicContact CG-CZ 4.47Å; L110-L172 HydrophobicContact CD2-CD1 4.16Å; L110-A176 HydrophobicContact CD2-CB 3.62Å
111K98.7Very high98.3Very high113 Ų11339.3 Ų39.349%0.49120%0.195SC..Hα-helixtrans-63.4-40.5176.7-179.3-177.61751790111.4K107 K108 N109 M113 L179 R183K107-K111 VanDerWaalsContact O-CB 3.28Å; K107-K111 WeakPolarHBondContact O-CB 3.47Å; K107-K111 PolarHBondContact O-N 2.86Å; K108-K111 WeakPolarHBondContact O-CB 3.42Å; K108-K111 PolarHBondContact O-N 3Å; N109-K111 VanDerWaalsContact C-N 3.35Å; N109-K111 PolarHBondContact O-N 3.25Å; K111-M113 VanDerWaalsContact C-N 3.3Å; K111-M113 PolarHBondContact O-N 2.83Å; K111-L179 HydrophobicContact CB-CD2 4.15Å; K111-L179 HydrophobicContact CG-CD2 4.19Å; K111-R183 PolarHBondContact O-NH2 3.31Å
112D98.4Very high98.3Very high97 Ų9739.1 Ų39.152%0.51919%0.193SC..Hα-helixtrans-78.5-14.2-176.4-65.9-15.1000112.8K108 N109 L110K108-D112 IonicContact NZ-OD2 3.09Å; K108-D112 PolarHBondContact NZ-OD2 2.9Å; K108-D112 WeakPolarHBondContact O-CB 3.43Å; K108-D112 VanDerWaalsContact O-CG 3.26Å; K108-D112 PolarHBondContact O-N 3Å; N109-D112 PolarHBondContact O-N 3.43Å; L110-D112 VanDerWaalsContact C-N 3.32Å
113M98.6Very high98.2Very high32 Ų3244.5 Ų44.516%0.15821%0.212CC..SBendtrans-59.7146.3172-73.7-171.5-178.500111.7T7 L79 N109 L110 K111 F115T7-M113 HydrophobicContact CG2-CE 4.41Å; T7-M113 HydrophobicContact CG2-SD 3.6Å; L79-M113 HydrophobicContact CD2-CE 3.44Å; L79-M113 VanDerWaalsContact CD2-CE 3.44Å; L79-M113 HydrophobicContact CD2-SD 4.41Å; N109-M113 WeakPolarHBondContact O-CG 3.32Å; N109-M113 PolarHBondContact O-N 3.3Å; L110-M113 PolarHBondContact O-N 3.31Å; K111-M113 VanDerWaalsContact C-N 3.3Å; K111-M113 PolarHBondContact O-N 2.83Å; M113-F115 PolarHBondContact O-N 2.84Å
114A98.2Very high98.1Very high33 Ų3346.9 Ų46.927%0.27322%0.222SC..SBendtrans-58.9-39.6178.100000111.2Y4 Y5 T132 F133Y4-A114 HydrophobicContact CD1-CB 3.87Å; Y4-A114 HydrophobicContact CG-CB 4.33Å; Y5-A114 PolarHBondContact O-N 2.96Å; A114-T132 VanDerWaalsContact O-CG2 3.27Å; A114-T132 WeakPolarHBondContact O-CG2 3.47Å; A114-F133 HydrophobicContact CB-CE1 4.15Å; A114-F133 HydrophobicContact CB-CZ 3.83Å
115F98.6Very high98.1Very high10 Ų1042.3 Ų42.34%0.04420%0.201CC..EExtended strand (participates in β ladder)trans-153.4147.6178.2169.5-93.8000111I6 T7 M113 T125 L128 F129 T132 F133I6-F115 WeakPolarHBondContact CA-O 3.43Å; I6-F115 HydrophobicContact CB-CD1 4.3Å; I6-F115 HydrophobicContact CG2-CB 3.88Å; I6-F115 HydrophobicContact CG2-CD1 4.36Å; T7-F115 PolarHBondContact N-O 3.05Å; M113-F115 PolarHBondContact O-N 2.84Å; F115-T125 HydrophobicContact CE1-CG2 4.43Å; F115-T125 HydrophobicContact CZ-CG2 3.9Å; F115-T125 WeakPolarHBondContact CZ-O 3.27Å; F115-L128 HydrophobicContact CD2-CB 4.26Å; F115-L128 HydrophobicContact CE2-CB 3.63Å; F115-F129 AromaticContact CD1-CD2 3.64Å; F115-F129 HydrophobicContact CD1-CD2 3.64Å; F115-F129 HydrophobicContact CD1-CE2 4.38Å; F115-F129 HydrophobicContact CD2-CB 4.31Å; F115-F129 HydrophobicContact CE1-CB 4.18Å; F115-F129 AromaticContact CE1-CD2 3.71Å; F115-F129 HydrophobicContact CE1-CD2 3.71Å; F115-F129 HydrophobicContact CE1-CG 4.45Å; F115-F129 HydrophobicContact CE2-CB 3.87Å; F115-F129 VanDerWaalsContact CE2-N 3.29Å; F115-F129 HydrophobicContact CG-CD2 4.07Å; F115-F129 HydrophobicContact CZ-CB 3.79Å; F115-F129 HydrophobicContact CZ-CD2 4.2Å; F115-T132 HydrophobicContact CB-CG2 4.22Å; F115-F133 HydrophobicContact CB-CE2 3.81Å; F115-F133 HydrophobicContact CB-CZ 4.19Å; F115-F133 HydrophobicContact CG-CE2 4.46Å
116F98.8Very high98.1Very high2 Ų242.8 Ų42.81%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-140.4152159.369.6-90.8000110.2T7 L110 L118 A176 L179 F180T7-F116 HydrophobicContact CG2-CB 3.76Å; T7-F116 CarbonylContact O-C 3.29Å; T7-F116 WeakPolarHBondContact O-CA 3.17Å; L110-F116 HydrophobicContact CD1-CB 3.76Å; L110-F116 HydrophobicContact CD1-CD1 3.83Å; L110-F116 HydrophobicContact CD1-CD2 4.13Å; L110-F116 HydrophobicContact CD1-CE1 4.47Å; L110-F116 HydrophobicContact CD1-CG 3.64Å; L110-F116 HydrophobicContact CD2-CE1 4.48Å; L110-F116 HydrophobicContact CD2-CE2 4.45Å; L110-F116 HydrophobicContact CD2-CZ 4.4Å; L110-F116 HydrophobicContact CG-CD1 3.9Å; L110-F116 HydrophobicContact CG-CE1 4.08Å; L110-F116 HydrophobicContact CG-CG 4.15Å; L110-F116 HydrophobicContact CG-CZ 4.47Å; F116-L118 HydrophobicContact CD2-CD2 4.43Å; F116-L118 HydrophobicContact CE2-CD2 4.36Å; F116-A176 HydrophobicContact CE2-CB 4.03Å; F116-A176 WeakPolarHBondContact CE2-O 3.42Å; F116-A176 HydrophobicContact CZ-CB 4.47Å; F116-L179 HydrophobicContact CE1-CD2 3.85Å; F116-L179 HydrophobicContact CE1-CG 4.24Å; F116-L179 HydrophobicContact CZ-CB 4.29Å; F116-L179 HydrophobicContact CZ-CD2 4.02Å; F116-L179 HydrophobicContact CZ-CG 4.1Å; F116-F180 HydrophobicContact CD2-CD2 4.48Å; F116-F180 HydrophobicContact CE2-CB 3.88Å; F116-F180 HydrophobicContact CE2-CD2 4.2Å; F116-F180 HydrophobicContact CZ-CB 4.16Å
117G98.6Very high98.1Very high0 Ų043.8 Ų43.80%021%0.206CC..EExtended strand (participates in β ladder)trans-118.5164.717800000112.7T7 L8 L9T7-G117 PolarHBondContact O-N 2.89Å; L8-G117 WeakPolarHBondContact CA-O 3.39Å; L9-G117 PolarHBondContact N-O 3.1Å
118L98.6Very high98Very high0 Ų042.3 Ų42.30%020%0.2CC..EExtended strand (participates in β ladder)trans-119132.9174.9-59.1-179.1000109.2L9 F116 E120 F121 T125 Y173 K177 F180L9-L118 HydrophobicContact CB-CD2 3.82Å; L9-L118 WeakPolarHBondContact O-CA 3.36Å; F116-L118 HydrophobicContact CD2-CD2 4.43Å; F116-L118 HydrophobicContact CE2-CD2 4.36Å; L118-E120 PolarHBondContact O-N 3.16Å; L118-F121 HydrophobicContact CB-CD2 3.76Å; L118-F121 HydrophobicContact CD1-CD2 3.74Å; L118-F121 HydrophobicContact CD1-CE2 3.96Å; L118-F121 HydrophobicContact CG-CD2 4.36Å; L118-F121 PolarHBondContact O-N 3.21Å; L118-F121 VanDerWaalsContact O-N 3.12Å; L118-T125 PolarHBondContact N-OG1 3.27Å; L118-T125 VanDerWaalsContact N-OG1 3.16Å; L118-T125 PolarHBondContact O-OG1 2.66Å; L118-T125 VanDerWaalsContact O-OG1 3.1Å; L118-Y173 HydrophobicContact CD2-CE2 3.98Å; L118-K177 HydrophobicContact CD1-CB 4.26Å; L118-K177 HydrophobicContact CD1-CG 4.39Å; L118-F180 HydrophobicContact CD1-CB 3.72Å; L118-F180 HydrophobicContact CD1-CD1 3.7Å; L118-F180 HydrophobicContact CD1-CD2 4.35Å; L118-F180 HydrophobicContact CD1-CE1 4.37Å; L118-F180 HydrophobicContact CD1-CG 3.68Å; L118-F180 HydrophobicContact CG-CB 4.25Å; L118-F180 HydrophobicContact CG-CD1 4.2Å; L118-F180 HydrophobicContact CG-CD2 4.11Å; L118-F180 HydrophobicContact CG-CE2 4.5Å; L118-F180 HydrophobicContact CG-CG 3.94Å
119T96.6Very high98Very high38 Ų3838.4 Ų38.423%0.23318%0.183CC..G310 helixtrans-64.4-24.4-174.455.70000114.2L9 R10 F121 Q122 Q143L9-T119 WeakPolarHBondContact O-CG2 3.01Å; L9-T119 PolarHBondContact O-N 3.12Å; R10-T119 HydrophobicContact CB-CG2 4.03Å; R10-T119 VanDerWaalsContact CB-OG1 3.28Å; R10-T119 WeakPolarHBondContact CB-OG1 3.34Å; R10-T119 WeakPolarHBondContact CG-OG1 3.35Å; T119-F121 VanDerWaalsContact C-N 3.3Å; T119-Q122 PolarHBondContact O-NE2 2.91Å; T119-Q143 PolarHBondContact O-NE2 3.23Å
120E95.1Very high98Very high53 Ų5336.8 Ų36.825%0.24817%0.174CC..G310 helixtrans-79.8-14.2-179.5-63.877.5-179.700112D11 L118 Q143 Y173D11-E120 WeakPolarHBondContact CB-OE1 3.44Å; D11-E120 PolarHBondContact N-OE1 3.32Å; L118-E120 PolarHBondContact O-N 3.16Å; E120-Q143 PolarHBondContact O-OE1 2.89Å; E120-Y173 PolarHBondContact OE1-OH 3.5Å; E120-Y173 PolarHBondContact OE2-OH 3.09Å
121F96.8Very high97.9Very high54 Ų5440.8 Ų40.824%0.23719%0.189CC..G310 helixtrans-128.549.7-173.7-56.2-63.5000112.4L118 T119 R123 K124 T125 K177 F180L118-F121 HydrophobicContact CB-CD2 3.76Å; L118-F121 HydrophobicContact CD1-CD2 3.74Å; L118-F121 HydrophobicContact CD1-CE2 3.96Å; L118-F121 HydrophobicContact CG-CD2 4.36Å; L118-F121 PolarHBondContact O-N 3.21Å; L118-F121 VanDerWaalsContact O-N 3.12Å; T119-F121 VanDerWaalsContact C-N 3.3Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.41Å; F121-R123 VanDerWaalsContact O-N 3.12Å; F121-K124 HydrophobicContact CB-CB 4.11Å; F121-K124 HydrophobicContact CB-CD 4.35Å; F121-K124 HydrophobicContact CB-CG 4.49Å; F121-K124 PolarHBondContact O-N 2.85Å; F121-T125 WeakPolarHBondContact O-CB 3.27Å; F121-T125 PolarHBondContact O-N 2.97Å; F121-T125 PolarHBondContact O-OG1 3.48Å; F121-K177 HydrophobicContact CE2-CG 4.35Å; F121-F180 HydrophobicContact CB-CE1 3.92Å; F121-F180 HydrophobicContact CB-CZ 4.35Å; F121-F180 HydrophobicContact CD2-CD1 4.43Å; F121-F180 HydrophobicContact CD2-CE1 4.22Å; F121-F180 HydrophobicContact CG-CE1 4.34Å
122Q97Very high97.8Very high45 Ų4538.1 Ų38.121%0.2118%0.182CC..Hα-helixtrans-49.4-43.8-173-68.9-66.8-28.400114.3T119 T125 Q126 F141 Q143T119-Q122 PolarHBondContact O-NE2 2.91Å; Q122-T125 WeakPolarHBondContact O-CB 3.34Å; Q122-T125 PolarHBondContact O-N 3.12Å; Q122-Q126 PolarHBondContact O-N 3.08Å; Q122-F141 HydrophobicContact CB-CB 4.09Å; Q122-F141 WeakPolarHBondContact O-CD2 3.48Å; Q122-Q143 VanDerWaalsContact N-OE1 3.09Å
123R97Very high97.8Very high129 Ų12936.2 Ų36.249%0.48717%0.169SC..Hα-helixtrans-68.5-38178.2-69-67-174.4152.8-7.7113.7F121 Y127 F141 M142F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.41Å; F121-R123 VanDerWaalsContact O-N 3.12Å; R123-Y127 WeakPolarHBondContact O-CB 3.29Å; R123-Y127 PolarHBondContact O-N 3.32Å; R123-F141 VanDerWaalsContact CD-O 3.27Å; R123-F141 WeakPolarHBondContact CD-O 3Å; R123-F141 PolarHBondContact NE-O 3.03Å; R123-F141 PolarHBondContact NH2-O 3.28Å; R123-M142 PolarHBondContact NH2-SD 2.8Å
124K98.1Very high97.7Very high58 Ų5842 Ų4225%0.25220%0.201SC..Hα-helixtrans-71.1-37.8175.7-65.1-176171.61760110.4F121 Y127 L128 F180 Y184F121-K124 HydrophobicContact CB-CB 4.11Å; F121-K124 HydrophobicContact CB-CD 4.35Å; F121-K124 HydrophobicContact CB-CG 4.49Å; F121-K124 PolarHBondContact O-N 2.85Å; K124-Y127 PolarHBondContact O-N 3.19Å; K124-L128 WeakPolarHBondContact O-CB 3.48Å; K124-L128 PolarHBondContact O-N 2.88Å; K124-F180 HydrophobicContact CB-CE1 3.71Å; K124-F180 HydrophobicContact CB-CZ 3.78Å; K124-F180 HydrophobicContact CD-CE1 4.27Å; K124-Y184 HydrophobicContact CB-CD2 3.88Å; K124-Y184 HydrophobicContact CB-CE2 4.03Å; K124-Y184 HydrophobicContact CB-CG 4.47Å; K124-Y184 HydrophobicContact CD-CD1 4.12Å; K124-Y184 HydrophobicContact CD-CD2 4.29Å; K124-Y184 HydrophobicContact CD-CE1 4.2Å; K124-Y184 HydrophobicContact CD-CE2 4.38Å; K124-Y184 HydrophobicContact CD-CG 4.17Å; K124-Y184 HydrophobicContact CG-CD2 3.94Å; K124-Y184 HydrophobicContact CG-CE1 4.34Å; K124-Y184 HydrophobicContact CG-CE2 3.75Å; K124-Y184 HydrophobicContact CG-CG 4.33Å
125T98.3Very high97.7Very high4 Ų445 Ų453%0.02521%0.212CC..Hα-helixtrans-58.7-50.4173.7-69.90000110.1L8 F115 L118 F121 Q122 Y127 L128 F129 F141L8-T125 HydrophobicContact CD2-CG2 4.06Å; F115-T125 HydrophobicContact CE1-CG2 4.43Å; F115-T125 HydrophobicContact CZ-CG2 3.9Å; F115-T125 WeakPolarHBondContact CZ-O 3.27Å; L118-T125 PolarHBondContact N-OG1 3.27Å; L118-T125 VanDerWaalsContact N-OG1 3.16Å; L118-T125 PolarHBondContact O-OG1 2.66Å; L118-T125 VanDerWaalsContact O-OG1 3.1Å; F121-T125 WeakPolarHBondContact O-CB 3.27Å; F121-T125 PolarHBondContact O-N 2.97Å; F121-T125 PolarHBondContact O-OG1 3.48Å; Q122-T125 WeakPolarHBondContact O-CB 3.34Å; Q122-T125 PolarHBondContact O-N 3.12Å; T125-Y127 PolarHBondContact O-N 2.03Å; T125-L128 PolarHBondContact O-N 3.48Å; T125-F129 WeakPolarHBondContact O-CB 3.46Å; T125-F129 PolarHBondContact O-N 3.28Å; T125-F141 HydrophobicContact CG2-CE2 4.33Å
126Q98.3Very high97.6Very high21 Ų2153 Ų5310%0.09825%0.247CC..Hα-helixtrans-55-53.3173.3-172.8-167.3-19.600111.3Q122 L128 F129 E130 F137 F141Q122-Q126 PolarHBondContact O-N 3.08Å; Q126-L128 PolarHBondContact O-N 3.47Å; Q126-F129 PolarHBondContact O-N 2.75Å; Q126-E130 HydrophobicContact CG-CG 4.42Å; Q126-E130 PolarHBondContact NE2-OE1 3.41Å; Q126-E130 WeakPolarHBondContact O-CB 3.38Å; Q126-E130 VanDerWaalsContact O-CG 3.31Å; Q126-E130 WeakPolarHBondContact O-CG 3.38Å; Q126-E130 PolarHBondContact O-N 2.82Å; Q126-F137 HydrophobicContact CG-CD2 3.6Å; Q126-F137 HydrophobicContact CG-CE2 4.19Å; Q126-F137 HydrophobicContact CG-CG 4.41Å; Q126-F141 HydrophobicContact CB-CB 4.19Å; Q126-F141 HydrophobicContact CB-CD1 4.18Å; Q126-F141 HydrophobicContact CB-CD2 3.92Å; Q126-F141 HydrophobicContact CB-CE2 4.36Å; Q126-F141 HydrophobicContact CB-CG 3.83Å; Q126-F141 HydrophobicContact CG-CD1 4.03Å; Q126-F141 HydrophobicContact CG-CE1 4.33Å; Q126-F141 HydrophobicContact CG-CG 4.19Å
127Y98.3Very high97.5Very high21 Ų2156.6 Ų56.68%0.08226%0.262CS..Hα-helixtrans-54.8-51-178.9171.9-90.9000112.1R123 K124 T125 F129 E130 R131 Y184 K187 R188 E191R123-Y127 WeakPolarHBondContact O-CB 3.29Å; R123-Y127 PolarHBondContact O-N 3.32Å; K124-Y127 PolarHBondContact O-N 3.19Å; T125-Y127 PolarHBondContact O-N 2.03Å; Y127-F129 PolarHBondContact O-N 3.44Å; Y127-E130 PolarHBondContact O-N 3.13Å; Y127-R131 VanDerWaalsContact CE2-CZ 3.47Å; Y127-R131 WeakPolarHBondContact O-CD 3.49Å; Y127-R131 PolarHBondContact O-N 3.36Å; Y127-R131 VanDerWaalsContact O-N 3.14Å; Y127-Y184 AromaticContact CD1-CD2 3.56Å; Y127-Y184 HydrophobicContact CD1-CD2 3.56Å; Y127-Y184 AromaticContact CD1-CE2 3.46Å; Y127-Y184 HydrophobicContact CD1-CE2 3.46Å; Y127-Y184 VanDerWaalsContact CD1-CE2 3.46Å; Y127-Y184 HydrophobicContact CE1-CD2 4.06Å; Y127-Y184 HydrophobicContact CE1-CE2 4.02Å; Y127-Y184 HydrophobicContact CG-CD2 4.38Å; Y127-Y184 AromaticContact CG-CE2 3.9Å; Y127-Y184 HydrophobicContact CG-CE2 3.9Å; Y127-K187 HydrophobicContact CE1-CB 4.01Å; Y127-K187 PolarHBondContact OH-O 2.93Å; Y127-R188 HydrophobicContact CE1-CG 3.88Å; Y127-R188 WeakPolarHBondContact OH-CD 3.32Å; Y127-R188 PolarHBondContact OH-N 3.09Å; Y127-E191 VanDerWaalsContact CE2-OE2 3.27Å; Y127-E191 WeakPolarHBondContact CE2-OE2 3.44Å; Y127-E191 PolarHBondContact OH-OE2 2.63Å
128L98.4Very high97.4Very high7 Ų764.9 Ų64.94%0.03731%0.305CS..Hα-helixtrans-66.1-39-178.5-83.8178.4000112F115 K124 T125 Q126 R131 T132 F180 R183 Y184 K187F115-L128 HydrophobicContact CD2-CB 4.26Å; F115-L128 HydrophobicContact CE2-CB 3.63Å; K124-L128 WeakPolarHBondContact O-CB 3.48Å; K124-L128 PolarHBondContact O-N 2.88Å; T125-L128 PolarHBondContact O-N 3.48Å; Q126-L128 PolarHBondContact O-N 3.47Å; L128-R131 PolarHBondContact O-N 3.31Å; L128-T132 WeakPolarHBondContact O-CB 3.28Å; L128-T132 PolarHBondContact O-N 3.03Å; L128-T132 PolarHBondContact O-OG1 3.46Å; L128-F180 HydrophobicContact CD1-CD2 3.85Å; L128-F180 HydrophobicContact CD1-CE2 3.59Å; L128-F180 HydrophobicContact CD1-CG 4.44Å; L128-F180 HydrophobicContact CD1-CZ 3.98Å; L128-R183 HydrophobicContact CD1-CB 4.2Å; L128-R183 HydrophobicContact CD2-CB 4.39Å; L128-Y184 HydrophobicContact CG-CD2 4.3Å; L128-K187 HydrophobicContact CD2-CB 4.19Å; L128-K187 HydrophobicContact CD2-CG 4Å
129F98.6Very high97.3Very high38 Ų3874.8 Ų74.817%0.16734%0.342CS..Hα-helixtrans-61-50.3177.2-174.1-83.8000111.1I6 F115 T125 Q126 Y127 R131 T132 F133 L135 F137I6-F129 HydrophobicContact CD1-CE2 3.9Å; F115-F129 AromaticContact CD1-CD2 3.64Å; F115-F129 HydrophobicContact CD1-CD2 3.64Å; F115-F129 HydrophobicContact CD1-CE2 4.38Å; F115-F129 HydrophobicContact CD2-CB 4.31Å; F115-F129 HydrophobicContact CE1-CB 4.18Å; F115-F129 AromaticContact CE1-CD2 3.71Å; F115-F129 HydrophobicContact CE1-CD2 3.71Å; F115-F129 HydrophobicContact CE1-CG 4.45Å; F115-F129 HydrophobicContact CE2-CB 3.87Å; F115-F129 VanDerWaalsContact CE2-N 3.29Å; F115-F129 HydrophobicContact CG-CD2 4.07Å; F115-F129 HydrophobicContact CZ-CB 3.79Å; F115-F129 HydrophobicContact CZ-CD2 4.2Å; T125-F129 WeakPolarHBondContact O-CB 3.46Å; T125-F129 PolarHBondContact O-N 3.28Å; Q126-F129 PolarHBondContact O-N 2.75Å; Y127-F129 PolarHBondContact O-N 3.44Å; F129-R131 VanDerWaalsContact C-N 3.3Å; F129-R131 PolarHBondContact O-N 3.28Å; F129-T132 PolarHBondContact O-N 3.47Å; F129-T132 VanDerWaalsContact O-N 3.14Å; F129-F133 HydrophobicContact CD1-CD2 4.23Å; F129-F133 HydrophobicContact CD2-CD2 4.04Å; F129-F133 AromaticContact CD2-CE2 3.97Å; F129-F133 HydrophobicContact CD2-CE2 3.97Å; F129-F133 HydrophobicContact CE1-CD2 4.03Å; F129-F133 AromaticContact CE2-CD2 3.82Å; F129-F133 HydrophobicContact CE2-CD2 3.82Å; F129-F133 AromaticContact CE2-CE2 3.7Å; F129-F133 HydrophobicContact CE2-CE2 3.7Å; F129-F133 HydrophobicContact CG-CD2 4.25Å; F129-F133 AromaticContact CZ-CD2 3.81Å; F129-F133 HydrophobicContact CZ-CD2 3.81Å; F129-F133 HydrophobicContact CZ-CE2 4.11Å; F129-F133 PolarHBondContact O-N 2.95Å; F129-F133 VanDerWaalsContact O-N 3.15Å; F129-L135 HydrophobicContact CE1-CD1 4.2Å; F129-F137 HydrophobicContact CB-CE2 4.19Å; F129-F137 AromaticContact CD1-CE2 3.41Å; F129-F137 HydrophobicContact CD1-CE2 3.41Å; F129-F137 VanDerWaalsContact CD1-CE2 3.41Å; F129-F137 AromaticContact CD1-CZ 3.48Å; F129-F137 HydrophobicContact CD1-CZ 3.48Å; F129-F137 VanDerWaalsContact CD1-CZ 3.48Å; F129-F137 HydrophobicContact CE1-CE2 4.06Å; F129-F137 AromaticContact CE1-CZ 3.69Å; F129-F137 HydrophobicContact CE1-CZ 3.69Å; F129-F137 AromaticContact CG-CE2 4Å; F129-F137 HydrophobicContact CG-CE2 4Å; F129-F137 HydrophobicContact CG-CZ 4.11Å; F129-F137 HydrophobicContact CZ-CZ 4.46Å
130E98.1Very high97.3Very high18 Ų1876.1 Ų76.18%0.08435%0.352CS..Hα-helixtrans-54.5-44.8178-74-175.917200111.9Q126 Y127 N134 L135 F137Q126-E130 HydrophobicContact CG-CG 4.42Å; Q126-E130 PolarHBondContact NE2-OE1 3.41Å; Q126-E130 WeakPolarHBondContact O-CB 3.38Å; Q126-E130 VanDerWaalsContact O-CG 3.31Å; Q126-E130 WeakPolarHBondContact O-CG 3.38Å; Q126-E130 PolarHBondContact O-N 2.82Å; Y127-E130 PolarHBondContact O-N 3.13Å; E130-N134 CarbonylContact O-C 3.14Å; E130-N134 WeakPolarHBondContact O-CA 3.44Å; E130-N134 PolarHBondContact O-N 3.08Å; E130-L135 CarbonylContact C-O 3.59Å; E130-L135 WeakPolarHBondContact CA-O 3.43Å; E130-L135 WeakPolarHBondContact CB-O 3.17Å; E130-L135 VanDerWaalsContact CG-O 3.25Å; E130-L135 WeakPolarHBondContact CG-O 3.24Å; E130-L135 PolarHBondContact O-N 3.24Å; E130-F137 HydrophobicContact CG-CD2 3.78Å; E130-F137 HydrophobicContact CG-CE2 4.21Å; E130-F137 PolarHBondContact OE1-N 3.39Å
131R97.2Very high97.3Very high84 Ų8476.3 Ų76.332%0.31735%0.352SS..Hα-helixtrans-76.7-25.9-179.7-84.573.1-177.6159.5-6.1113.5Y127 L128 F129 E191Y127-R131 VanDerWaalsContact CE2-CZ 3.47Å; Y127-R131 WeakPolarHBondContact O-CD 3.49Å; Y127-R131 PolarHBondContact O-N 3.36Å; Y127-R131 VanDerWaalsContact O-N 3.14Å; L128-R131 PolarHBondContact O-N 3.31Å; F129-R131 VanDerWaalsContact C-N 3.3Å; F129-R131 PolarHBondContact O-N 3.28Å; R131-E191 IonicContact CZ-OE1 3.52Å; R131-E191 IonicContact NE-OE1 3.28Å; R131-E191 PolarHBondContact NE-OE1 2.94Å; R131-E191 IonicContact NH2-OE1 3.62Å; R131-E191 PolarHBondContact NH2-OE1 3.23Å
132T97.3Very high97.1Very high56 Ų5678.5 Ų78.534%0.34436%0.364SS..Hα-helixtrans-71.2-41.7178.4-59.80000110.8A114 F115 L128 F129A114-T132 VanDerWaalsContact O-CG2 3.27Å; A114-T132 WeakPolarHBondContact O-CG2 3.47Å; F115-T132 HydrophobicContact CB-CG2 4.22Å; L128-T132 WeakPolarHBondContact O-CB 3.28Å; L128-T132 PolarHBondContact O-N 3.03Å; L128-T132 PolarHBondContact O-OG1 3.46Å; F129-T132 PolarHBondContact O-N 3.47Å; F129-T132 VanDerWaalsContact O-N 3.14Å
133F97.4Very high96.8Very high58 Ų5879.7 Ų79.725%0.25437%0.37SS..Hα-helixtrans-106.72-175.1-61.6-70.1000114Y4 I6 A114 F115 F129 L135Y4-F133 HydrophobicContact CG-CE1 4.22Å; I6-F133 HydrophobicContact CG2-CE2 3.99Å; I6-F133 HydrophobicContact CG2-CZ 3.74Å; A114-F133 HydrophobicContact CB-CE1 4.15Å; A114-F133 HydrophobicContact CB-CZ 3.83Å; F115-F133 HydrophobicContact CB-CE2 3.81Å; F115-F133 HydrophobicContact CB-CZ 4.19Å; F115-F133 HydrophobicContact CG-CE2 4.46Å; F129-F133 HydrophobicContact CD1-CD2 4.23Å; F129-F133 HydrophobicContact CD2-CD2 4.04Å; F129-F133 AromaticContact CD2-CE2 3.97Å; F129-F133 HydrophobicContact CD2-CE2 3.97Å; F129-F133 HydrophobicContact CE1-CD2 4.03Å; F129-F133 AromaticContact CE2-CD2 3.82Å; F129-F133 HydrophobicContact CE2-CD2 3.82Å; F129-F133 AromaticContact CE2-CE2 3.7Å; F129-F133 HydrophobicContact CE2-CE2 3.7Å; F129-F133 HydrophobicContact CG-CD2 4.25Å; F129-F133 AromaticContact CZ-CD2 3.81Å; F129-F133 HydrophobicContact CZ-CD2 3.81Å; F129-F133 HydrophobicContact CZ-CE2 4.11Å; F129-F133 PolarHBondContact O-N 2.95Å; F129-F133 VanDerWaalsContact O-N 3.15Å; F133-L135 VanDerWaalsContact C-N 3.3Å; F133-L135 HydrophobicContact CB-CD1 3.81Å; F133-L135 HydrophobicContact CB-CG 3.94Å; F133-L135 PolarHBondContact O-N 3.17Å
134N96.9Very high96.2Very high152 Ų15282 Ų8281%0.81338%0.379SS*.THydrogen-bonded Turntrans52.947.1-172.9-166.137.5000112.4E130E130-N134 CarbonylContact O-C 3.14Å; E130-N134 WeakPolarHBondContact O-CA 3.44Å; E130-N134 PolarHBondContact O-N 3.08Å
135L97Very high95.2Very high98 Ų9884.8 Ų84.851%0.51340%0.397SS..  trans-117.8167179.2-64.5175.7000110.2F129 E130 F133F129-L135 HydrophobicContact CE1-CD1 4.2Å; E130-L135 CarbonylContact C-O 3.59Å; E130-L135 WeakPolarHBondContact CA-O 3.43Å; E130-L135 WeakPolarHBondContact CB-O 3.17Å; E130-L135 VanDerWaalsContact CG-O 3.25Å; E130-L135 WeakPolarHBondContact CG-O 3.24Å; E130-L135 PolarHBondContact O-N 3.24Å; F133-L135 VanDerWaalsContact C-N 3.3Å; F133-L135 HydrophobicContact CB-CD1 3.81Å; F133-L135 HydrophobicContact CB-CG 3.94Å; F133-L135 PolarHBondContact O-N 3.17Å
136K97.1Very high94.1Very high178 Ų17890.7 Ų90.777%0.77444%0.439SS*.  trans-135.5133.4171.3-67.6-170.9179.7178.80110.5
137F97.1Very high93.1Very high76 Ų7691.9 Ų91.933%0.33345%0.447SS..  trans-77.7140.4170.7-68.4-83000109.9Q126 F129 E130 F141Q126-F137 HydrophobicContact CG-CD2 3.6Å; Q126-F137 HydrophobicContact CG-CE2 4.19Å; Q126-F137 HydrophobicContact CG-CG 4.41Å; F129-F137 HydrophobicContact CB-CE2 4.19Å; F129-F137 AromaticContact CD1-CE2 3.41Å; F129-F137 HydrophobicContact CD1-CE2 3.41Å; F129-F137 VanDerWaalsContact CD1-CE2 3.41Å; F129-F137 AromaticContact CD1-CZ 3.48Å; F129-F137 HydrophobicContact CD1-CZ 3.48Å; F129-F137 VanDerWaalsContact CD1-CZ 3.48Å; F129-F137 HydrophobicContact CE1-CE2 4.06Å; F129-F137 AromaticContact CE1-CZ 3.69Å; F129-F137 HydrophobicContact CE1-CZ 3.69Å; F129-F137 AromaticContact CG-CE2 4Å; F129-F137 HydrophobicContact CG-CE2 4Å; F129-F137 HydrophobicContact CG-CZ 4.11Å; F129-F137 HydrophobicContact CZ-CZ 4.46Å; E130-F137 HydrophobicContact CG-CD2 3.78Å; E130-F137 HydrophobicContact CG-CE2 4.21Å; E130-F137 PolarHBondContact OE1-N 3.39Å; F137-F141 AromaticContact CD1-CE1 3.83Å; F137-F141 HydrophobicContact CD1-CE1 3.83Å; F137-F141 HydrophobicContact CD1-CZ 4.37Å; F137-F141 AromaticContact CD2-CE1 3.97Å; F137-F141 HydrophobicContact CD2-CE1 3.97Å; F137-F141 HydrophobicContact CD2-CZ 4.33Å; F137-F141 AromaticContact CE1-CE1 3.92Å; F137-F141 HydrophobicContact CE1-CE1 3.92Å; F137-F141 AromaticContact CE1-CZ 3.99Å; F137-F141 HydrophobicContact CE1-CZ 3.99Å; F137-F141 HydrophobicContact CE2-CE1 4.03Å; F137-F141 AromaticContact CE2-CZ 3.92Å; F137-F141 HydrophobicContact CE2-CZ 3.92Å; F137-F141 AromaticContact CG-CE1 3.85Å; F137-F141 HydrophobicContact CG-CE1 3.85Å; F137-F141 HydrophobicContact CZ-CE1 4.01Å; F137-F141 AromaticContact CZ-CZ 3.74Å; F137-F141 HydrophobicContact CZ-CZ 3.74Å
138I97.1Very high91.9Very high175 Ų17598.4 Ų98.490%0.89747%0.472SS*.SBendtrans-65.9-43.8177.3-59.5171.7000110.3
139R96.2Very high90.7Very high207 Ų20798.4 Ų98.478%0.78147%0.473SS*.SBendtrans-108.3136.4179.1-67.7-174.1-178.7-178.21110.2
140P95.6Very high89.1Confident67 Ų6799.5 Ų99.544%0.43550%0.495SS..  trans-65.4147.6173.824.7-31.6000112.2
141F95.3Very high87.7Confident56 Ų56101.7 Ų101.725%0.24652%0.523CS..  trans-70145173.4-75.320.1000110.6Q122 R123 T125 Q126 F137Q122-F141 HydrophobicContact CB-CB 4.09Å; Q122-F141 WeakPolarHBondContact O-CD2 3.48Å; R123-F141 VanDerWaalsContact CD-O 3.27Å; R123-F141 WeakPolarHBondContact CD-O 3Å; R123-F141 PolarHBondContact NE-O 3.03Å; R123-F141 PolarHBondContact NH2-O 3.28Å; T125-F141 HydrophobicContact CG2-CE2 4.33Å; Q126-F141 HydrophobicContact CB-CB 4.19Å; Q126-F141 HydrophobicContact CB-CD1 4.18Å; Q126-F141 HydrophobicContact CB-CD2 3.92Å; Q126-F141 HydrophobicContact CB-CE2 4.36Å; Q126-F141 HydrophobicContact CB-CG 3.83Å; Q126-F141 HydrophobicContact CG-CD1 4.03Å; Q126-F141 HydrophobicContact CG-CE1 4.33Å; Q126-F141 HydrophobicContact CG-CG 4.19Å; F137-F141 AromaticContact CD1-CE1 3.83Å; F137-F141 HydrophobicContact CD1-CE1 3.83Å; F137-F141 HydrophobicContact CD1-CZ 4.37Å; F137-F141 AromaticContact CD2-CE1 3.97Å; F137-F141 HydrophobicContact CD2-CE1 3.97Å; F137-F141 HydrophobicContact CD2-CZ 4.33Å; F137-F141 AromaticContact CE1-CE1 3.92Å; F137-F141 HydrophobicContact CE1-CE1 3.92Å; F137-F141 AromaticContact CE1-CZ 3.99Å; F137-F141 HydrophobicContact CE1-CZ 3.99Å; F137-F141 HydrophobicContact CE2-CE1 4.03Å; F137-F141 AromaticContact CE2-CZ 3.92Å; F137-F141 HydrophobicContact CE2-CZ 3.92Å; F137-F141 AromaticContact CG-CE1 3.85Å; F137-F141 HydrophobicContact CG-CE1 3.85Å; F137-F141 HydrophobicContact CZ-CE1 4.01Å; F137-F141 AromaticContact CZ-CZ 3.74Å; F137-F141 HydrophobicContact CZ-CZ 3.74Å
142M92.6Very high86.8Confident101 Ų10198.6 Ų98.650%0.49851%0.513SS..  trans-116137.3179.2-66.7-62.6-72.600109.8R123 Y144R123-M142 PolarHBondContact NH2-SD 2.8Å; M142-Y144 HydrophobicContact CB-CD2 4.23Å; M142-Y144 HydrophobicContact CB-CE2 3.51Å; M142-Y144 WeakPolarHBondContact O-CD2 3.4Å
143Q91.8Very high86Confident70 Ų70105.2 Ų105.233%0.32754%0.54SS..  trans-84117176.6-171.466.242.700108.6T119 E120 Q122 N145T119-Q143 PolarHBondContact O-NE2 3.23Å; E120-Q143 PolarHBondContact O-OE1 2.89Å; Q122-Q143 VanDerWaalsContact N-OE1 3.09Å; Q143-N145 WeakPolarHBondContact CG-OD1 3.36Å; Q143-N145 PolarHBondContact NE2-OD1 3.06Å
144Y84.6Confident85.5Confident176 Ų176104.1 Ų104.169%0.6954%0.538SS*.  trans-113.997.1175-64.8-76.6000109.1M142 T147M142-Y144 HydrophobicContact CB-CD2 4.23Å; M142-Y144 HydrophobicContact CB-CE2 3.51Å; M142-Y144 WeakPolarHBondContact O-CD2 3.4Å; Y144-T147 WeakPolarHBondContact O-CG2 3.2Å
145N75.9Confident85.3Confident118 Ų118100.9 Ų100.963%0.63152%0.521SS*.  trans-83.9-22.8-178.5-68-16.6000112.9Q143 T147Q143-N145 WeakPolarHBondContact CG-OD1 3.36Å; Q143-N145 PolarHBondContact NE2-OD1 3.06Å; N145-T147 PolarHBondContact O-N 3.43Å
146S74.6Confident85.1Confident128 Ų128101.9 Ų101.990%0.89553%0.526SS*.  trans-71.971.3172.1-51.50000110.5
147T77.2Confident85.1Confident45 Ų4598.7 Ų98.728%0.27652%0.518SS..  trans-95.4161.9177.370.20000110.3R10 Y144 N145 A149 G150 G151R10-T147 PolarHBondContact NH2-OG1 3.29Å; Y144-T147 WeakPolarHBondContact O-CG2 3.2Å; N145-T147 PolarHBondContact O-N 3.43Å; T147-A149 PolarHBondContact O-N 3.48Å; T147-A149 VanDerWaalsContact O-N 3.11Å; T147-G150 WeakPolarHBondContact O-CA 3.23Å; T147-G150 PolarHBondContact O-N 3.16Å; T147-G150 PolarHBondContact OG1-N 2.85Å; T147-G151 PolarHBondContact O-N 3.02Å; T147-G151 VanDerWaalsContact O-N 3.17Å
148R74.1Confident85.1Confident159 Ų15996.2 Ų96.260%0.651%0.509SS*.THydrogen-bonded Turntrans-57.9-25.2175-65.2-178.4171.8173-0.9113.5V152R148-V152 WeakPolarHBondContact O-CG2 3.09Å
149A72.7Confident85.1Confident6 Ų690.2 Ų90.25%0.0548%0.478CS..THydrogen-bonded Turntrans-77.3-39.6171.700000112.1S14 L17 T147 G151 V152S14-A149 VanDerWaalsContact O-CB 3.24Å; S14-A149 WeakPolarHBondContact O-CB 3.39Å; L17-A149 HydrophobicContact CB-CB 4.08Å; T147-A149 PolarHBondContact O-N 3.48Å; T147-A149 VanDerWaalsContact O-N 3.11Å; A149-G151 PolarHBondContact O-N 3.34Å; A149-V152 PolarHBondContact O-N 3.07Å; A149-V152 VanDerWaalsContact O-N 3.07Å
150G65.3Low85.1Confident61 Ų6187.5 Ų87.563%0.62947%0.468SS*.THydrogen-bonded Turntrans-68.5-12.3177.500000114.7T147T147-G150 WeakPolarHBondContact O-CA 3.23Å; T147-G150 PolarHBondContact O-N 3.16Å; T147-G150 PolarHBondContact OG1-N 2.85Å
151G68.7Low85.3Confident65 Ų6589.7 Ų89.767%0.6747%0.467SS*.THydrogen-bonded Turntrans-95.96.2171.200000114.4T147 A149T147-G151 PolarHBondContact O-N 3.02Å; T147-G151 VanDerWaalsContact O-N 3.17Å; A149-G151 PolarHBondContact O-N 3.34Å
152V78.8Confident85.4Confident18 Ų1887 Ų8711%0.10946%0.456CS..  trans-93.1110.9172.5-173.20000107.7L17 W20 R21 R148 A149 V154L17-V152 HydrophobicContact CD2-CG1 4.47Å; W20-V152 HydrophobicContact CZ3-CG1 3.84Å; W20-V152 HydrophobicContact CZ3-CG2 4.1Å; R21-V152 HydrophobicContact CG-CG2 4.15Å; R148-V152 WeakPolarHBondContact O-CG2 3.09Å; A149-V152 PolarHBondContact O-N 3.07Å; A149-V152 VanDerWaalsContact O-N 3.07Å; V152-V154 HydrophobicContact CG1-CG1 4.25Å; V152-V154 HydrophobicContact CG1-CG2 4.1Å; V152-V154 PolarHBondContact O-N 3.11Å
153E79.4Confident85.7Confident196 Ų19685.8 Ų85.892%0.91645%0.449SS*.  trans-76.5118164.9-65.9-175.1174.300107.9
154V86.8Confident86Confident35 Ų3588 Ų8821%0.21246%0.459CS..  trans-129.6138.8176.4-108.70000107.7L17 L60 V152 T158 I159L17-V154 HydrophobicContact CD1-CG2 3.87Å; L17-V154 HydrophobicContact CD2-CG2 4.47Å; L60-V154 HydrophobicContact CD2-CG1 3.6Å; V152-V154 HydrophobicContact CG1-CG1 4.25Å; V152-V154 HydrophobicContact CG1-CG2 4.1Å; V152-V154 PolarHBondContact O-N 3.11Å; V154-T158 HydrophobicContact CB-CG2 4.26Å; V154-T158 HydrophobicContact CG1-CG2 3.5Å; V154-T158 VanDerWaalsContact CG1-CG2 3.5Å; V154-I159 HydrophobicContact CB-CG1 4.4Å; V154-I159 HydrophobicContact CG2-CG1 4.33Å
155D92.8Very high86.7Confident84 Ų8480.9 Ų80.945%0.44943%0.433SS..  trans-70.2163.7176.26790.5000111.3D157 T158 I159D155-D157 VanDerWaalsContact C-N 3.28Å; D155-D157 PolarHBondContact O-N 3.08Å; D155-D157 WeakPolarHBondContact OD1-CA 3.18Å; D155-D157 WeakPolarHBondContact OD1-CB 3.49Å; D155-D157 PolarHBondContact OD1-N 3.48Å; D155-T158 PolarHBondContact O-N 3.18Å; D155-T158 PolarHBondContact OD1-N 2.94Å; D155-T158 PolarHBondContact OD1-OG1 2.98Å; D155-T158 WeakPolarHBondContact OD2-CB 3.37Å; D155-T158 PolarHBondContact OD2-OG1 2.97Å; D155-I159 WeakPolarHBondContact O-CG1 3.42Å; D155-I159 PolarHBondContact O-N 3.05Å
156N94.4Very high87.8Confident118 Ų11875.3 Ų75.363%0.63140%0.403SS*.Hα-helixtrans-64.9-29.5-176.2-72.1-24.6000113.3I159 R160N156-I159 PolarHBondContact O-N 3.4Å; N156-R160 WeakPolarHBondContact O-CG 3.2Å; N156-R160 PolarHBondContact O-N 3.41Å
157D96.4Very high88.9Confident112 Ų11273 Ų7360%0.59938%0.381SS*.Hα-helixtrans-73.7-39.6-180-64.3-29.9000109.9D155 I159 R160 R161D155-D157 VanDerWaalsContact C-N 3.28Å; D155-D157 PolarHBondContact O-N 3.08Å; D155-D157 WeakPolarHBondContact OD1-CA 3.18Å; D155-D157 WeakPolarHBondContact OD1-CB 3.49Å; D155-D157 PolarHBondContact OD1-N 3.48Å; D157-I159 VanDerWaalsContact C-N 3.34Å; D157-I159 PolarHBondContact O-N 3.38Å; D157-R160 PolarHBondContact O-N 3.05Å; D157-R160 IonicContact OD1-NH1 3.1Å; D157-R161 PolarHBondContact O-N 2.92Å
158T96.4Very high89.9Confident24 Ų2471.9 Ų71.915%0.14737%0.373CS..Hα-helixtrans-60.9-41.9170.3-61.60000111.9L60 M64 V154 D155 R161 I162L60-T158 HydrophobicContact CD2-CG2 3.74Å; M64-T158 HydrophobicContact CE-CG2 4.1Å; M64-T158 HydrophobicContact SD-CG2 4.21Å; V154-T158 HydrophobicContact CB-CG2 4.26Å; V154-T158 HydrophobicContact CG1-CG2 3.5Å; V154-T158 VanDerWaalsContact CG1-CG2 3.5Å; D155-T158 PolarHBondContact O-N 3.18Å; D155-T158 PolarHBondContact OD1-N 2.94Å; D155-T158 PolarHBondContact OD1-OG1 2.98Å; D155-T158 WeakPolarHBondContact OD2-CB 3.37Å; D155-T158 PolarHBondContact OD2-OG1 2.97Å; T158-R161 PolarHBondContact O-N 2.93Å; T158-I162 HydrophobicContact CG2-CD1 4.07Å; T158-I162 WeakPolarHBondContact O-CG1 3.43Å; T158-I162 PolarHBondContact O-N 3.42Å
159I96.6Very high91.1Very high48 Ų4864.3 Ų64.325%0.24634%0.344CS..Hα-helixtrans-60-49.6176.3-69.3169.5000110.7V13 V154 D155 N156 D157 R161 I162 E163V13-I159 HydrophobicContact CG1-CG2 4.48Å; V154-I159 HydrophobicContact CB-CG1 4.4Å; V154-I159 HydrophobicContact CG2-CG1 4.33Å; D155-I159 WeakPolarHBondContact O-CG1 3.42Å; D155-I159 PolarHBondContact O-N 3.05Å; N156-I159 PolarHBondContact O-N 3.4Å; D157-I159 VanDerWaalsContact C-N 3.34Å; D157-I159 PolarHBondContact O-N 3.38Å; I159-R161 VanDerWaalsContact C-N 3.27Å; I159-R161 PolarHBondContact O-N 3.19Å; I159-I162 PolarHBondContact O-N 3.33Å; I159-I162 VanDerWaalsContact O-N 3.08Å; I159-E163 HydrophobicContact CG2-CG 4.43Å; I159-E163 WeakPolarHBondContact O-CG 3.43Å; I159-E163 PolarHBondContact O-N 3.37Å
160R97.9Very high92.4Very high151 Ų15165.7 Ų65.757%0.5735%0.35SS*.Hα-helixtrans-57.8-41.6177.3-73.2174.3-173.8174.13111.8N156 D157 I162 E163 E164N156-R160 WeakPolarHBondContact O-CG 3.2Å; N156-R160 PolarHBondContact O-N 3.41Å; D157-R160 PolarHBondContact O-N 3.05Å; D157-R160 IonicContact OD1-NH1 3.1Å; R160-I162 VanDerWaalsContact C-N 3.32Å; R160-I162 PolarHBondContact O-N 2.81Å; R160-E163 WeakPolarHBondContact O-CB 3.44Å; R160-E163 PolarHBondContact O-N 2.91Å; R160-E164 WeakPolarHBondContact O-CG 3.35Å; R160-E164 PolarHBondContact O-N 3.24Å
161R98.2Very high94Very high112 Ų11266.6 Ų66.642%0.42334%0.338SS..Hα-helixtrans-61.9-40.3176.9-176.355.7177.4169.61.8112.3M64 D157 T158 I159 E164 L165M64-R161 HydrophobicContact SD-CG 4.15Å; D157-R161 PolarHBondContact O-N 2.92Å; T158-R161 PolarHBondContact O-N 2.93Å; I159-R161 VanDerWaalsContact C-N 3.27Å; I159-R161 PolarHBondContact O-N 3.19Å; R161-E164 WeakPolarHBondContact CD-OE2 3.33Å; R161-E164 IonicContact CZ-OE2 3.95Å; R161-E164 IonicContact NH1-OE2 3.36Å; R161-E164 PolarHBondContact NH1-OE2 3.08Å; R161-E164 PolarHBondContact O-N 3Å; R161-L165 HydrophobicContact CG-CD1 4.49Å; R161-L165 WeakPolarHBondContact O-CG 3.36Å; R161-L165 PolarHBondContact O-N 2.81Å
162I98.4Very high95.4Very high0 Ų063.5 Ų63.50%031%0.306CS..Hα-helixtrans-66.5-40175.7-66167.6000110.8V13 Y16 L17 M64 T158 I159 R160 L165 N166V13-I162 HydrophobicContact CB-CG2 4.34Å; V13-I162 HydrophobicContact CG1-CG2 4.24Å; V13-I162 HydrophobicContact CG2-CG2 4.18Å; Y16-I162 HydrophobicContact CD1-CD1 4.32Å; Y16-I162 HydrophobicContact CD1-CG1 4.11Å; Y16-I162 HydrophobicContact CD1-CG2 3.71Å; Y16-I162 HydrophobicContact CE1-CG1 4.28Å; Y16-I162 HydrophobicContact CE1-CG2 4.46Å; Y16-I162 HydrophobicContact CG-CG2 3.85Å; L17-I162 HydrophobicContact CD2-CD1 3.65Å; L17-I162 HydrophobicContact CG-CD1 4.08Å; M64-I162 HydrophobicContact SD-CD1 4.3Å; M64-I162 HydrophobicContact SD-CG1 3.63Å; T158-I162 HydrophobicContact CG2-CD1 4.07Å; T158-I162 WeakPolarHBondContact O-CG1 3.43Å; T158-I162 PolarHBondContact O-N 3.42Å; I159-I162 PolarHBondContact O-N 3.33Å; I159-I162 VanDerWaalsContact O-N 3.08Å; R160-I162 VanDerWaalsContact C-N 3.32Å; R160-I162 PolarHBondContact O-N 2.81Å; I162-L165 PolarHBondContact O-N 2.77Å; I162-N166 WeakPolarHBondContact O-CB 3.24Å; I162-N166 PolarHBondContact O-N 3.02Å; I162-N166 VanDerWaalsContact O-N 3.08Å; I162-N166 PolarHBondContact O-ND2 3.33Å
163E98.4Very high96.4Very high75 Ų7563.1 Ų63.135%0.3530%0.303SS..Hα-helixtrans-59.7-45.4174.5-68.5174.4151.500111.1V13 I159 R160 N166 D167 M170V13-E163 HydrophobicContact CG2-CG 3.62Å; I159-E163 HydrophobicContact CG2-CG 4.43Å; I159-E163 WeakPolarHBondContact O-CG 3.43Å; I159-E163 PolarHBondContact O-N 3.37Å; R160-E163 WeakPolarHBondContact O-CB 3.44Å; R160-E163 PolarHBondContact O-N 2.91Å; E163-N166 CarbonylContact O-C 3.59Å; E163-N166 PolarHBondContact O-N 3.2Å; E163-N166 VanDerWaalsContact O-N 3.11Å; E163-D167 WeakPolarHBondContact O-CA 3.43Å; E163-D167 PolarHBondContact O-N 3.03Å; E163-M170 HydrophobicContact CB-CG 4.46Å; E163-M170 HydrophobicContact CG-CE 4.06Å; E163-M170 HydrophobicContact CG-SD 4.27Å
164E98.4Very high97.3Very high117 Ų11758.4 Ų58.455%0.54728%0.284SS..Hα-helixtrans-59.8-47.4175.5-70.6170.7-178.500112.4R160 R161 N166 D167R160-E164 WeakPolarHBondContact O-CG 3.35Å; R160-E164 PolarHBondContact O-N 3.24Å; R161-E164 WeakPolarHBondContact CD-OE2 3.33Å; R161-E164 IonicContact CZ-OE2 3.95Å; R161-E164 IonicContact NH1-OE2 3.36Å; R161-E164 PolarHBondContact NH1-OE2 3.08Å; R161-E164 PolarHBondContact O-N 3Å; E164-N166 PolarHBondContact O-N 2.74Å; E164-N166 VanDerWaalsContact O-N 3.16Å; E164-D167 PolarHBondContact O-N 3.42Å
165L98.6Very high97.9Very high27 Ų2759.9 Ų59.914%0.14129%0.286CS..Hα-helixtrans-62.7-21.3177.3-71.8172.7000112.8M64 N73 R161 I162M64-L165 HydrophobicContact CB-CD1 3.76Å; M64-L165 HydrophobicContact CG-CD1 3.83Å; M64-L165 HydrophobicContact SD-CD1 4.45Å; N73-L165 PolarHBondContact ND2-O 3.42Å; R161-L165 HydrophobicContact CG-CD1 4.49Å; R161-L165 WeakPolarHBondContact O-CG 3.36Å; R161-L165 PolarHBondContact O-N 2.81Å; I162-L165 PolarHBondContact O-N 2.77Å
166N98.8Very high98.2Very high0 Ų055.9 Ų55.90%027%0.265CS..THydrogen-bonded Turntrans-120.126.8-177.4-65.9-90.7000112.2P12 R15 Y16 A71 N73 I162 E163 E164 L168 D169 M170P12-N166 HydrophobicContact CB-CB 4.1Å; R15-N166 PolarHBondContact NH2-OD1 3.35Å; Y16-N166 WeakPolarHBondContact CD2-ND2 3.36Å; A71-N166 PolarHBondContact O-OD1 3.48Å; N73-N166 PolarHBondContact N-OD1 3.29Å; N73-N166 VanDerWaalsContact OD1-CA 3.24Å; N73-N166 WeakPolarHBondContact OD1-CA 3.47Å; N73-N166 PolarHBondContact OD1-O 3.29Å; I162-N166 WeakPolarHBondContact O-CB 3.24Å; I162-N166 PolarHBondContact O-N 3.02Å; I162-N166 VanDerWaalsContact O-N 3.08Å; I162-N166 PolarHBondContact O-ND2 3.33Å; E163-N166 CarbonylContact O-C 3.59Å; E163-N166 PolarHBondContact O-N 3.2Å; E163-N166 VanDerWaalsContact O-N 3.11Å; E164-N166 PolarHBondContact O-N 2.74Å; E164-N166 VanDerWaalsContact O-N 3.16Å; N166-L168 VanDerWaalsContact C-N 3.28Å; N166-L168 PolarHBondContact O-N 2.96Å; N166-D169 HydrophobicContact CB-CB 4.14Å; N166-D169 CarbonylContact O-C 3.53Å; N166-D169 WeakPolarHBondContact O-CA 3.37Å; N166-D169 WeakPolarHBondContact O-CB 3.35Å; N166-D169 PolarHBondContact O-N 2.96Å; N166-M170 WeakPolarHBondContact O-CG 3.24Å; N166-M170 PolarHBondContact O-N 3.29Å
167D98.7Very high98.4Very high80 Ų8054.4 Ų54.443%0.42825%0.253SS..Hα-helixtrans-55.2-40.2-173.4174.762.7000113.1N73 E163 E164 M170 Q171N73-D167 PolarHBondContact OD1-N 3.02Å; E163-D167 WeakPolarHBondContact O-CA 3.43Å; E163-D167 PolarHBondContact O-N 3.03Å; E164-D167 PolarHBondContact O-N 3.42Å; D167-M170 WeakPolarHBondContact O-CB 3.28Å; D167-M170 PolarHBondContact O-N 2.93Å; D167-Q171 WeakPolarHBondContact O-CG 3.36Å; D167-Q171 PolarHBondContact O-N 2.72Å; D167-Q171 PolarHBondContact OD2-NE2 2.97Å
168L98.9Very high98.5Very high21 Ų2153.3 Ų53.311%0.1125%0.247CC..Hα-helixtrans-69.1-39.4177.2-50.9179.7000111.5N73 V76 A99 N166 M170 Q171 L172N73-L168 HydrophobicContact CB-CB 4.32Å; N73-L168 WeakPolarHBondContact OD1-CA 3.34Å; N73-L168 WeakPolarHBondContact OD1-CB 3.39Å; N73-L168 PolarHBondContact OD1-N 3.34Å; V76-L168 HydrophobicContact CB-CB 4.24Å; V76-L168 HydrophobicContact CG1-CB 4.23Å; V76-L168 HydrophobicContact CG1-CD1 4.37Å; V76-L168 HydrophobicContact CG2-CB 3.82Å; V76-L168 VanDerWaalsContact CG2-O 3.31Å; V76-L168 WeakPolarHBondContact CG2-O 3.22Å; A99-L168 HydrophobicContact CB-CD1 3.89Å; A99-L168 HydrophobicContact CB-CD2 3.94Å; A99-L168 HydrophobicContact CB-CG 4.49Å; N166-L168 VanDerWaalsContact C-N 3.28Å; N166-L168 PolarHBondContact O-N 2.96Å; L168-M170 VanDerWaalsContact C-N 3.3Å; L168-Q171 PolarHBondContact O-N 3.33Å; L168-L172 VanDerWaalsContact O-CB 3.31Å; L168-L172 WeakPolarHBondContact O-CB 3.42Å; L168-L172 PolarHBondContact O-N 3.42Å
169D98.9Very high98.6Very high0 Ų053.2 Ų53.20%025%0.245CC..Hα-helixtrans-63.9-36173.8-92.122.7000111.1P12 R15 N73 R74 Q75 V76 N166 L172 Y173P12-D169 HydrophobicContact CB-CB 3.86Å; P12-D169 VanDerWaalsContact CG-C 3.43Å; P12-D169 HydrophobicContact CG-CB 3.83Å; P12-D169 VanDerWaalsContact CG-O 3.32Å; P12-D169 WeakPolarHBondContact CG-O 3.24Å; R15-D169 IonicContact NE-OD2 2.74Å; N73-D169 VanDerWaalsContact CA-OD1 3.32Å; N73-D169 WeakPolarHBondContact CA-OD1 3.1Å; N73-D169 PolarHBondContact OD1-N 3.12Å; R74-D169 PolarHBondContact N-OD2 2.93Å; Q75-D169 WeakPolarHBondContact CB-OD1 3.49Å; Q75-D169 WeakPolarHBondContact CB-OD2 3.45Å; Q75-D169 WeakPolarHBondContact CG-OD2 3.36Å; Q75-D169 PolarHBondContact N-OD1 2.76Å; Q75-D169 PolarHBondContact N-OD2 3.41Å; Q75-D169 PolarHBondContact NE2-OD2 3.02Å; V76-D169 WeakPolarHBondContact CG2-OD1 3.34Å; V76-D169 PolarHBondContact N-OD1 3.29Å; N166-D169 HydrophobicContact CB-CB 4.14Å; N166-D169 CarbonylContact O-C 3.53Å; N166-D169 WeakPolarHBondContact O-CA 3.37Å; N166-D169 WeakPolarHBondContact O-CB 3.35Å; N166-D169 PolarHBondContact O-N 2.96Å; D169-L172 PolarHBondContact O-N 3.06Å; D169-Y173 WeakPolarHBondContact O-CB 3.36Å; D169-Y173 PolarHBondContact O-N 3.09Å
170M98.9Very high98.7Very high36 Ų3651 Ų5118%0.17723%0.234CC..Hα-helixtrans-60.6-52.7173.7-66.4-59.6-69.700110.5P12 V13 E163 N166 D167 L168 L172 Y173 D174P12-M170 HydrophobicContact CB-CG 4.4Å; P12-M170 HydrophobicContact CB-SD 3.63Å; P12-M170 HydrophobicContact CG-CG 4.33Å; P12-M170 HydrophobicContact CG-SD 3.55Å; P12-M170 VanDerWaalsContact CG-SD 3.55Å; V13-M170 HydrophobicContact CG2-SD 4.45Å; E163-M170 HydrophobicContact CB-CG 4.46Å; E163-M170 HydrophobicContact CG-CE 4.06Å; E163-M170 HydrophobicContact CG-SD 4.27Å; N166-M170 WeakPolarHBondContact O-CG 3.24Å; N166-M170 PolarHBondContact O-N 3.29Å; D167-M170 WeakPolarHBondContact O-CB 3.28Å; D167-M170 PolarHBondContact O-N 2.93Å; L168-M170 VanDerWaalsContact C-N 3.3Å; M170-L172 PolarHBondContact O-N 2.82Å; M170-Y173 PolarHBondContact O-N 3.1Å; M170-D174 PolarHBondContact O-N 3.14Å
171Q98.9Very high98.7Very high79 Ų7945.7 Ų45.737%0.36922%0.216SC..Hα-helixtrans-62.5-39.4178.1-66.5-179.357.600113L103 D167 L168 Y175L103-Q171 HydrophobicContact CD1-CB 4.11Å; L103-Q171 HydrophobicContact CD2-CB 3.87Å; L103-Q171 HydrophobicContact CD2-CG 4.49Å; D167-Q171 WeakPolarHBondContact O-CG 3.36Å; D167-Q171 PolarHBondContact O-N 2.72Å; D167-Q171 PolarHBondContact OD2-NE2 2.97Å; L168-Q171 PolarHBondContact O-N 3.33Å; Q171-Y175 WeakPolarHBondContact O-CB 3.44Å; Q171-Y175 PolarHBondContact O-N 3.04Å
172L98.9Very high98.7Very high0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-65.5-43.1175.4177.367000111.2Q75 V76 L79 L103 A106 K107 L110 L168 D169 M170 Y175 A176Q75-L172 HydrophobicContact CB-CD2 4.07Å; V76-L172 HydrophobicContact CB-CD2 4.4Å; V76-L172 HydrophobicContact CG2-CB 3.61Å; V76-L172 HydrophobicContact CG2-CD2 3.56Å; V76-L172 HydrophobicContact CG2-CG 4.15Å; L79-L172 HydrophobicContact CD1-CD2 3.96Å; L103-L172 HydrophobicContact CD1-CB 3.96Å; A106-L172 HydrophobicContact CB-CD1 4.11Å; A106-L172 HydrophobicContact CB-CD2 4.22Å; K107-L172 HydrophobicContact CG-CD1 3.88Å; L110-L172 HydrophobicContact CD2-CD1 4.16Å; L168-L172 VanDerWaalsContact O-CB 3.31Å; L168-L172 WeakPolarHBondContact O-CB 3.42Å; L168-L172 PolarHBondContact O-N 3.42Å; D169-L172 PolarHBondContact O-N 3.06Å; M170-L172 PolarHBondContact O-N 2.82Å; L172-Y175 PolarHBondContact O-N 2.74Å; L172-A176 VanDerWaalsContact O-CB 3.28Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 3.36Å
173Y98.9Very high98.7Very high10 Ų1048.3 Ų48.34%0.03923%0.229CC..Hα-helixtrans-68.6-39.7-177.2-175.6-104.2000111.8L9 R10 D11 P12 L118 E120 D169 M170 A176 K177L9-Y173 HydrophobicContact CB-CD2 4.37Å; R10-Y173 WeakPolarHBondContact O-CD2 3.19Å; D11-Y173 HydrophobicContact CB-CE1 4.01Å; D11-Y173 VanDerWaalsContact N-CE2 3.27Å; P12-Y173 HydrophobicContact CG-CG 4.41Å; L118-Y173 HydrophobicContact CD2-CE2 3.98Å; E120-Y173 PolarHBondContact OE1-OH 3.5Å; E120-Y173 PolarHBondContact OE2-OH 3.09Å; D169-Y173 WeakPolarHBondContact O-CB 3.36Å; D169-Y173 PolarHBondContact O-N 3.09Å; M170-Y173 PolarHBondContact O-N 3.1Å; Y173-A176 PolarHBondContact O-N 3.3Å; Y173-K177 HydrophobicContact CE1-CD 4.27Å; Y173-K177 VanDerWaalsContact O-CB 3.22Å; Y173-K177 WeakPolarHBondContact O-CB 3.29Å; Y173-K177 PolarHBondContact O-N 2.69Å
174D98.8Very high98.7Very high98 Ų9847.2 Ų47.252%0.52422%0.223SC..Hα-helixtrans-60.1-47173.5-79.8-20.7000111.7M170 A176 K177 D178M170-D174 PolarHBondContact O-N 3.14Å; D174-A176 PolarHBondContact O-N 2.68Å; D174-K177 PolarHBondContact O-N 2.95Å; D174-D178 PolarHBondContact O-N 3.29Å
175Y98.9Very high98.7Very high65 Ų6546.8 Ų46.826%0.25522%0.221SC..Hα-helixtrans-58.5-47.3173168.7-97.6000112.1K107 Q171 L172 K177 D178 L179K107-Y175 HydrophobicContact CB-CD1 4.03Å; K107-Y175 HydrophobicContact CB-CE1 3.77Å; K107-Y175 HydrophobicContact CD-CD1 4.29Å; K107-Y175 HydrophobicContact CD-CD2 4.3Å; K107-Y175 HydrophobicContact CD-CG 4.09Å; K107-Y175 HydrophobicContact CG-CD1 3.65Å; K107-Y175 HydrophobicContact CG-CE1 3.94Å; K107-Y175 HydrophobicContact CG-CG 3.95Å; Q171-Y175 WeakPolarHBondContact O-CB 3.44Å; Q171-Y175 PolarHBondContact O-N 3.04Å; L172-Y175 PolarHBondContact O-N 2.74Å; Y175-K177 VanDerWaalsContact C-N 3.31Å; Y175-K177 PolarHBondContact O-N 2.89Å; Y175-D178 PolarHBondContact O-N 2.97Å; Y175-L179 HydrophobicContact CE1-CD2 4.08Å; Y175-L179 WeakPolarHBondContact O-CB 3.35Å; Y175-L179 PolarHBondContact O-N 3.42Å
176A98.8Very high98.7Very high0 Ų052.1 Ų52.10%024%0.24CC..Hα-helixtrans-63-39.6-179.400000111.7L9 L110 F116 L172 Y173 D174 F180L9-A176 HydrophobicContact CD1-CB 3.5Å; L9-A176 VanDerWaalsContact CD1-CB 3.5Å; L110-A176 HydrophobicContact CD2-CB 3.62Å; F116-A176 HydrophobicContact CE2-CB 4.03Å; F116-A176 WeakPolarHBondContact CE2-O 3.42Å; F116-A176 HydrophobicContact CZ-CB 4.47Å; L172-A176 VanDerWaalsContact O-CB 3.28Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 3.36Å; Y173-A176 PolarHBondContact O-N 3.3Å; D174-A176 PolarHBondContact O-N 2.68Å; A176-F180 WeakPolarHBondContact O-CB 3.2Å; A176-F180 PolarHBondContact O-N 3.37Å
177K98.8Very high98.6Very high88 Ų8855.9 Ų55.938%0.38326%0.256SS..Hα-helixtrans-64.2-47.5178.6-173.4176.7177.3-175.50111.7L118 F121 Y173 D174 Y175 F180 Q181L118-K177 HydrophobicContact CD1-CB 4.26Å; L118-K177 HydrophobicContact CD1-CG 4.39Å; F121-K177 HydrophobicContact CE2-CG 4.35Å; Y173-K177 HydrophobicContact CE1-CD 4.27Å; Y173-K177 VanDerWaalsContact O-CB 3.22Å; Y173-K177 WeakPolarHBondContact O-CB 3.29Å; Y173-K177 PolarHBondContact O-N 2.69Å; D174-K177 PolarHBondContact O-N 2.95Å; Y175-K177 VanDerWaalsContact C-N 3.31Å; Y175-K177 PolarHBondContact O-N 2.89Å; K177-F180 PolarHBondContact O-N 2.97Å; K177-Q181 VanDerWaalsContact O-CG 3.31Å; K177-Q181 WeakPolarHBondContact O-CG 3.23Å; K177-Q181 PolarHBondContact O-N 2.94Å
178D98.8Very high98.5Very high89 Ų8955.8 Ų55.848%0.47625%0.25SC..Hα-helixtrans-60.8-53.7175.2177.842000111.3D174 Y175 F180 Q181 Q182D174-D178 PolarHBondContact O-N 3.29Å; Y175-D178 PolarHBondContact O-N 2.97Å; D178-F180 VanDerWaalsContact C-N 3.27Å; D178-F180 PolarHBondContact O-N 3.34Å; D178-Q181 PolarHBondContact O-N 3.21Å; D178-Q181 VanDerWaalsContact O-N 3.08Å; D178-Q182 WeakPolarHBondContact O-CG 3.07Å; D178-Q182 PolarHBondContact O-N 3.26Å; D178-Q182 PolarHBondContact OD1-NE2 2.66Å; D178-Q182 PolarHBondContact OD2-NE2 3.44Å
179L98.8Very high98.5Very high22 Ų2260.5 Ų60.512%0.11527%0.271CS..Hα-helixtrans-57.3-40.1178.9178.959.9000112.4K111 F116 Y175 Q182 R183K111-L179 HydrophobicContact CB-CD2 4.15Å; K111-L179 HydrophobicContact CG-CD2 4.19Å; F116-L179 HydrophobicContact CE1-CD2 3.85Å; F116-L179 HydrophobicContact CE1-CG 4.24Å; F116-L179 HydrophobicContact CZ-CB 4.29Å; F116-L179 HydrophobicContact CZ-CD2 4.02Å; F116-L179 HydrophobicContact CZ-CG 4.1Å; Y175-L179 HydrophobicContact CE1-CD2 4.08Å; Y175-L179 WeakPolarHBondContact O-CB 3.35Å; Y175-L179 PolarHBondContact O-N 3.42Å; L179-Q182 PolarHBondContact O-N 3.34Å; L179-R183 HydrophobicContact CD1-CG 4.37Å; L179-R183 WeakPolarHBondContact O-CB 3.27Å; L179-R183 VanDerWaalsContact O-CG 3.31Å; L179-R183 WeakPolarHBondContact O-CG 3.37Å; L179-R183 PolarHBondContact O-N 3.12Å
180F98.8Very high98.3Very high1 Ų162.9 Ų62.90%0.00428%0.284CS..Hα-helixtrans-64.1-44.3177-179.8-93.5000112.2F116 L118 F121 K124 L128 A176 K177 D178 R183 Y184F116-F180 HydrophobicContact CD2-CD2 4.48Å; F116-F180 HydrophobicContact CE2-CB 3.88Å; F116-F180 HydrophobicContact CE2-CD2 4.2Å; F116-F180 HydrophobicContact CZ-CB 4.16Å; L118-F180 HydrophobicContact CD1-CB 3.72Å; L118-F180 HydrophobicContact CD1-CD1 3.7Å; L118-F180 HydrophobicContact CD1-CD2 4.35Å; L118-F180 HydrophobicContact CD1-CE1 4.37Å; L118-F180 HydrophobicContact CD1-CG 3.68Å; L118-F180 HydrophobicContact CG-CB 4.25Å; L118-F180 HydrophobicContact CG-CD1 4.2Å; L118-F180 HydrophobicContact CG-CD2 4.11Å; L118-F180 HydrophobicContact CG-CE2 4.5Å; L118-F180 HydrophobicContact CG-CG 3.94Å; F121-F180 HydrophobicContact CB-CE1 3.92Å; F121-F180 HydrophobicContact CB-CZ 4.35Å; F121-F180 HydrophobicContact CD2-CD1 4.43Å; F121-F180 HydrophobicContact CD2-CE1 4.22Å; F121-F180 HydrophobicContact CG-CE1 4.34Å; K124-F180 HydrophobicContact CB-CE1 3.71Å; K124-F180 HydrophobicContact CB-CZ 3.78Å; K124-F180 HydrophobicContact CD-CE1 4.27Å; L128-F180 HydrophobicContact CD1-CD2 3.85Å; L128-F180 HydrophobicContact CD1-CE2 3.59Å; L128-F180 HydrophobicContact CD1-CG 4.44Å; L128-F180 HydrophobicContact CD1-CZ 3.98Å; A176-F180 WeakPolarHBondContact O-CB 3.2Å; A176-F180 PolarHBondContact O-N 3.37Å; K177-F180 PolarHBondContact O-N 2.97Å; D178-F180 VanDerWaalsContact C-N 3.27Å; D178-F180 PolarHBondContact O-N 3.34Å; F180-R183 PolarHBondContact O-N 2.9Å; F180-Y184 WeakPolarHBondContact O-CB 3.34Å; F180-Y184 PolarHBondContact O-N 3.45Å
181Q98.4Very high98.1Very high40 Ų4063.7 Ų63.719%0.18729%0.287CS..Hα-helixtrans-64.6-41.9176.8-65.7-65.9-14.500111.2K177 D178 Y184 Q185K177-Q181 VanDerWaalsContact O-CG 3.31Å; K177-Q181 WeakPolarHBondContact O-CG 3.23Å; K177-Q181 PolarHBondContact O-N 2.94Å; D178-Q181 PolarHBondContact O-N 3.21Å; D178-Q181 VanDerWaalsContact O-N 3.08Å; Q181-Y184 PolarHBondContact O-N 3Å; Q181-Q185 WeakPolarHBondContact O-CB 3.44Å; Q181-Q185 VanDerWaalsContact O-CG 3.29Å; Q181-Q185 WeakPolarHBondContact O-CG 3Å; Q181-Q185 PolarHBondContact O-N 2.77Å
182Q98.5Very high97.9Very high96 Ų9666.9 Ų66.945%0.44930%0.296SS..Hα-helixtrans-60.1-48.2175.7-68.3177.626.500111.5D178 L179 Y184 Q185 Y186D178-Q182 WeakPolarHBondContact O-CG 3.07Å; D178-Q182 PolarHBondContact O-N 3.26Å; D178-Q182 PolarHBondContact OD1-NE2 2.66Å; D178-Q182 PolarHBondContact OD2-NE2 3.44Å; L179-Q182 PolarHBondContact O-N 3.34Å; Q182-Y184 VanDerWaalsContact C-N 3.32Å; Q182-Y184 PolarHBondContact O-N 3.07Å; Q182-Q185 PolarHBondContact O-N 3.22Å; Q182-Y186 VanDerWaalsContact O-CB 3.31Å; Q182-Y186 WeakPolarHBondContact O-CB 3.48Å; Q182-Y186 PolarHBondContact O-N 2.78Å
183R98.5Very high97.8Very high70 Ų7072.4 Ų72.426%0.26432%0.323SS..Hα-helixtrans-57.2-45175.3-75.9177.1176.9-163.4-4.9111.7K111 L128 L179 F180 K187K111-R183 PolarHBondContact O-NH2 3.31Å; L128-R183 HydrophobicContact CD1-CB 4.2Å; L128-R183 HydrophobicContact CD2-CB 4.39Å; L179-R183 HydrophobicContact CD1-CG 4.37Å; L179-R183 WeakPolarHBondContact O-CB 3.27Å; L179-R183 VanDerWaalsContact O-CG 3.31Å; L179-R183 WeakPolarHBondContact O-CG 3.37Å; L179-R183 PolarHBondContact O-N 3.12Å; F180-R183 PolarHBondContact O-N 2.9Å; R183-K187 PolarHBondContact O-N 3.36Å; R183-K187 VanDerWaalsContact O-N 3.08Å
184Y98.4Very high97.6Very high53 Ų5378 Ų7821%0.20835%0.349CS..Hα-helixtrans-61-50.7177.6177.6-99.8000111.7K124 Y127 L128 F180 Q181 Q182 K187 R188K124-Y184 HydrophobicContact CB-CD2 3.88Å; K124-Y184 HydrophobicContact CB-CE2 4.03Å; K124-Y184 HydrophobicContact CB-CG 4.47Å; K124-Y184 HydrophobicContact CD-CD1 4.12Å; K124-Y184 HydrophobicContact CD-CD2 4.29Å; K124-Y184 HydrophobicContact CD-CE1 4.2Å; K124-Y184 HydrophobicContact CD-CE2 4.38Å; K124-Y184 HydrophobicContact CD-CG 4.17Å; K124-Y184 HydrophobicContact CG-CD2 3.94Å; K124-Y184 HydrophobicContact CG-CE1 4.34Å; K124-Y184 HydrophobicContact CG-CE2 3.75Å; K124-Y184 HydrophobicContact CG-CG 4.33Å; Y127-Y184 AromaticContact CD1-CD2 3.56Å; Y127-Y184 HydrophobicContact CD1-CD2 3.56Å; Y127-Y184 AromaticContact CD1-CE2 3.46Å; Y127-Y184 HydrophobicContact CD1-CE2 3.46Å; Y127-Y184 VanDerWaalsContact CD1-CE2 3.46Å; Y127-Y184 HydrophobicContact CE1-CD2 4.06Å; Y127-Y184 HydrophobicContact CE1-CE2 4.02Å; Y127-Y184 HydrophobicContact CG-CD2 4.38Å; Y127-Y184 AromaticContact CG-CE2 3.9Å; Y127-Y184 HydrophobicContact CG-CE2 3.9Å; L128-Y184 HydrophobicContact CG-CD2 4.3Å; F180-Y184 WeakPolarHBondContact O-CB 3.34Å; F180-Y184 PolarHBondContact O-N 3.45Å; Q181-Y184 PolarHBondContact O-N 3Å; Q182-Y184 VanDerWaalsContact C-N 3.32Å; Q182-Y184 PolarHBondContact O-N 3.07Å; Y184-K187 PolarHBondContact O-N 3.32Å; Y184-R188 HydrophobicContact CD1-CG 4.39Å; Y184-R188 HydrophobicContact CD2-CG 4.48Å; Y184-R188 HydrophobicContact CE1-CG 3.98Å; Y184-R188 HydrophobicContact CE2-CG 4.07Å; Y184-R188 VanDerWaalsContact O-CG 3.26Å; Y184-R188 WeakPolarHBondContact O-CG 3.22Å; Y184-R188 PolarHBondContact O-N 3.23Å
185Q98.4Very high97.4Very high108 Ų10878 Ų7851%0.50535%0.346SS..Hα-helixtrans-62.3-46.1-179.6-72177.38.500111.8Q181 Q182 K187 R188 Q189Q181-Q185 WeakPolarHBondContact O-CB 3.44Å; Q181-Q185 VanDerWaalsContact O-CG 3.29Å; Q181-Q185 WeakPolarHBondContact O-CG 3Å; Q181-Q185 PolarHBondContact O-N 2.77Å; Q182-Q185 PolarHBondContact O-N 3.22Å; Q185-K187 PolarHBondContact O-N 3.21Å; Q185-R188 PolarHBondContact O-N 3.24Å; Q185-Q189 WeakPolarHBondContact O-CG 3.31Å; Q185-Q189 PolarHBondContact O-N 3.4Å
186Y98.1Very high97.2Very high139 Ų13983.9 Ų83.955%0.54537%0.368SS..Hα-helixtrans-57.7-49.6178.2177.2-107.3000111.8Q182 R188 Q189 L190Q182-Y186 VanDerWaalsContact O-CB 3.31Å; Q182-Y186 WeakPolarHBondContact O-CB 3.48Å; Q182-Y186 PolarHBondContact O-N 2.78Å; Y186-R188 VanDerWaalsContact C-N 3.33Å; Y186-R188 PolarHBondContact O-N 3.5Å; Y186-Q189 PolarHBondContact O-N 2.72Å; Y186-L190 HydrophobicContact CD1-CD1 4Å; Y186-L190 HydrophobicContact CE1-CD1 3.39Å; Y186-L190 HydrophobicContact CE1-CG 4.21Å; Y186-L190 HydrophobicContact CE2-CD1 4.27Å; Y186-L190 HydrophobicContact CE2-CD2 4.46Å; Y186-L190 HydrophobicContact CE2-CG 4.29Å; Y186-L190 PolarHBondContact O-N 2.67Å
187K97.1Very high97Very high78 Ų7888.1 Ų88.134%0.33939%0.39SS..Hα-helixtrans-62.5-38.3177.7-76.2-69.4-177.6-179.80112.7Y127 L128 R183 Y184 Q185 L190 E191Y127-K187 HydrophobicContact CE1-CB 4.01Å; Y127-K187 PolarHBondContact OH-O 2.93Å; L128-K187 HydrophobicContact CD2-CB 4.19Å; L128-K187 HydrophobicContact CD2-CG 4Å; R183-K187 PolarHBondContact O-N 3.36Å; R183-K187 VanDerWaalsContact O-N 3.08Å; Y184-K187 PolarHBondContact O-N 3.32Å; Q185-K187 PolarHBondContact O-N 3.21Å; K187-L190 PolarHBondContact O-N 2.04Å; K187-E191 WeakPolarHBondContact O-CB 3.38Å; K187-E191 PolarHBondContact O-N 3.14Å
188R96.9Very high96.8Very high78 Ų7889.1 Ų89.129%0.29439%0.394SS..Hα-helixtrans-66.1-36.8175-70.4-68.1-70.8161-7.5112.7Y127 Y184 Q185 Y186 E191 R192Y127-R188 HydrophobicContact CE1-CG 3.88Å; Y127-R188 WeakPolarHBondContact OH-CD 3.32Å; Y127-R188 PolarHBondContact OH-N 3.09Å; Y184-R188 HydrophobicContact CD1-CG 4.39Å; Y184-R188 HydrophobicContact CD2-CG 4.48Å; Y184-R188 HydrophobicContact CE1-CG 3.98Å; Y184-R188 HydrophobicContact CE2-CG 4.07Å; Y184-R188 VanDerWaalsContact O-CG 3.26Å; Y184-R188 WeakPolarHBondContact O-CG 3.22Å; Y184-R188 PolarHBondContact O-N 3.23Å; Q185-R188 PolarHBondContact O-N 3.24Å; Y186-R188 VanDerWaalsContact C-N 3.33Å; Y186-R188 PolarHBondContact O-N 3.5Å; R188-E191 IonicContact CZ-OE2 2.76Å; R188-E191 IonicContact NH1-OE2 3.5Å; R188-E191 PolarHBondContact NH1-OE2 3.5Å; R188-R192 WeakPolarHBondContact O-CB 3.32Å; R188-R192 WeakPolarHBondContact O-CD 3.39Å; R188-R192 VanDerWaalsContact O-CG 3.23Å; R188-R192 WeakPolarHBondContact O-CG 3.32Å; R188-R192 PolarHBondContact O-N 3.39Å; R188-R192 VanDerWaalsContact O-N 3.13Å
189Q97.2Very high96.6Very high120 Ų12087.8 Ų87.856%0.56139%0.387SS*.Hα-helixtrans-68.1-43.6177-73.71760.900111.5Q185 Y186 R192 M193Q185-Q189 WeakPolarHBondContact O-CG 3.31Å; Q185-Q189 PolarHBondContact O-N 3.4Å; Y186-Q189 PolarHBondContact O-N 2.72Å; Q189-R192 PolarHBondContact O-N 3.28Å; Q189-M193 PolarHBondContact O-N 2.87Å
190L95.9Very high96.3Very high50 Ų5095.4 Ų95.426%0.26241%0.414SS..Hα-helixtrans-58.7-50.6174.4-72179.2000111.8Y186 K187 R192 M193 E194Y186-L190 HydrophobicContact CD1-CD1 4Å; Y186-L190 HydrophobicContact CE1-CD1 3.39Å; Y186-L190 HydrophobicContact CE1-CG 4.21Å; Y186-L190 HydrophobicContact CE2-CD1 4.27Å; Y186-L190 HydrophobicContact CE2-CD2 4.46Å; Y186-L190 HydrophobicContact CE2-CG 4.29Å; Y186-L190 PolarHBondContact O-N 2.67Å; K187-L190 PolarHBondContact O-N 2.04Å; L190-R192 VanDerWaalsContact C-N 3.27Å; L190-R192 PolarHBondContact O-N 2.78Å; L190-M193 WeakPolarHBondContact O-CA 3.39Å; L190-M193 WeakPolarHBondContact O-CB 3.42Å; L190-M193 PolarHBondContact O-N 2.87Å; L190-E194 WeakPolarHBondContact O-CG 3.47Å; L190-E194 PolarHBondContact O-N 3.31Å
191E94.7Very high96Very high54 Ų54100.6 Ų100.625%0.25244%0.438SS..Hα-helixtrans-59-38.7179.4-174.6178.2-144.100111.8Y127 R131 K187 R188 Q195Y127-E191 VanDerWaalsContact CE2-OE2 3.27Å; Y127-E191 WeakPolarHBondContact CE2-OE2 3.44Å; Y127-E191 PolarHBondContact OH-OE2 2.63Å; R131-E191 IonicContact CZ-OE1 3.52Å; R131-E191 IonicContact NE-OE1 3.28Å; R131-E191 PolarHBondContact NE-OE1 2.94Å; R131-E191 IonicContact NH2-OE1 3.62Å; R131-E191 PolarHBondContact NH2-OE1 3.23Å; K187-E191 WeakPolarHBondContact O-CB 3.38Å; K187-E191 PolarHBondContact O-N 3.14Å; R188-E191 IonicContact CZ-OE2 2.76Å; R188-E191 IonicContact NH1-OE2 3.5Å; R188-E191 PolarHBondContact NH1-OE2 3.5Å; E191-Q195 WeakPolarHBondContact O-CB 3.4Å; E191-Q195 PolarHBondContact O-N 2.84Å
192R95.3Very high95.6Very high146 Ų146103.2 Ų103.255%0.55145%0.451SS*.Hα-helixtrans-67.4-37.1174.8-74.2170.5-179.9-177.5-0.2112.5R188 Q189 L190 R196R188-R192 WeakPolarHBondContact O-CB 3.32Å; R188-R192 WeakPolarHBondContact O-CD 3.39Å; R188-R192 VanDerWaalsContact O-CG 3.23Å; R188-R192 WeakPolarHBondContact O-CG 3.32Å; R188-R192 PolarHBondContact O-N 3.39Å; R188-R192 VanDerWaalsContact O-N 3.13Å; Q189-R192 PolarHBondContact O-N 3.28Å; L190-R192 VanDerWaalsContact C-N 3.27Å; L190-R192 PolarHBondContact O-N 2.78Å; R192-R196 VanDerWaalsContact O-CG 3.27Å; R192-R196 WeakPolarHBondContact O-CG 3.46Å; R192-R196 PolarHBondContact O-N 3.23Å; R192-R196 VanDerWaalsContact O-N 3.11Å
193M95.8Very high95.2Very high115 Ų115107.5 Ų107.557%0.56746%0.463SS*.Hα-helixtrans-67.8-47.4177.7-174.5-179.2-66.700110.8Q189 L190 Q195 R196 I197Q189-M193 PolarHBondContact O-N 2.87Å; L190-M193 WeakPolarHBondContact O-CA 3.39Å; L190-M193 WeakPolarHBondContact O-CB 3.42Å; L190-M193 PolarHBondContact O-N 2.87Å; M193-Q195 VanDerWaalsContact C-N 3.32Å; M193-Q195 PolarHBondContact O-N 2.87Å; M193-R196 WeakPolarHBondContact O-CB 3.42Å; M193-R196 PolarHBondContact O-N 3.05Å; M193-R196 VanDerWaalsContact O-N 3.12Å; M193-I197 HydrophobicContact CG-CD1 4.23Å; M193-I197 WeakPolarHBondContact O-CG1 3.42Å; M193-I197 PolarHBondContact O-N 3.32Å
194E94.9Very high94.8Very high127 Ų127108.9 Ų108.959%0.59348%0.475SS*.Hα-helixtrans-56.6-46.1175.5-71.5169.8-178.300111.2L190 R196 I197 K198L190-E194 WeakPolarHBondContact O-CG 3.47Å; L190-E194 PolarHBondContact O-N 3.31Å; E194-R196 VanDerWaalsContact C-N 3.33Å; E194-R196 PolarHBondContact O-N 2.95Å; E194-I197 PolarHBondContact O-N 2.89Å; E194-K198 WeakPolarHBondContact O-CB 3.33Å; E194-K198 PolarHBondContact O-N 2.86Å
195Q94.3Very high94.2Very high98 Ų98111.4 Ų111.446%0.45849%0.491SS..Hα-helixtrans-63.2-37.7177.3-169.164.445.500112.5E191 M193 K198 N199E191-Q195 WeakPolarHBondContact O-CB 3.4Å; E191-Q195 PolarHBondContact O-N 2.84Å; M193-Q195 VanDerWaalsContact C-N 3.32Å; M193-Q195 PolarHBondContact O-N 2.87Å; Q195-K198 PolarHBondContact O-N 3.48Å; Q195-N199 PolarHBondContact NE2-OD1 3.17Å; Q195-N199 WeakPolarHBondContact O-CB 3.3Å; Q195-N199 PolarHBondContact O-N 3.23Å; Q195-N199 PolarHBondContact O-OD1 3.11Å
196R95.1Very high93.3Very high189 Ų189111.7 Ų111.771%0.71349%0.492SS*.Hα-helixtrans-65.5-40.7176.8-76.4170.9179.4-174.3-0.8111.9R192 M193 E194 R200R192-R196 VanDerWaalsContact O-CG 3.27Å; R192-R196 WeakPolarHBondContact O-CG 3.46Å; R192-R196 PolarHBondContact O-N 3.23Å; R192-R196 VanDerWaalsContact O-N 3.11Å; M193-R196 WeakPolarHBondContact O-CB 3.42Å; M193-R196 PolarHBondContact O-N 3.05Å; M193-R196 VanDerWaalsContact O-N 3.12Å; E194-R196 VanDerWaalsContact C-N 3.33Å; E194-R196 PolarHBondContact O-N 2.95Å; R196-R200 WeakPolarHBondContact O-CB 3.38Å; R196-R200 PolarHBondContact O-N 2.93Å; R196-R200 VanDerWaalsContact O-N 3.09Å
197I95.3Very high92.5Very high89 Ų89113.8 Ų113.846%0.45650%0.5SS..Hα-helixtrans-63-51.5176.2-67.7167.8000109.2M193 E194 N199 R200 E201M193-I197 HydrophobicContact CG-CD1 4.23Å; M193-I197 WeakPolarHBondContact O-CG1 3.42Å; M193-I197 PolarHBondContact O-N 3.32Å; E194-I197 PolarHBondContact O-N 2.89Å; I197-N199 PolarHBondContact O-N 3.12Å; I197-R200 WeakPolarHBondContact O-CA 3.07Å; I197-R200 WeakPolarHBondContact O-CB 3.13Å; I197-R200 PolarHBondContact O-N 3.14Å; I197-E201 HydrophobicContact CG2-CG 4.44Å; I197-E201 WeakPolarHBondContact O-CG 3.41Å; I197-E201 PolarHBondContact O-N 3.06Å
198K94.1Very high91.5Very high110 Ų110112.9 Ų112.948%0.47850%0.503SS..Hα-helixtrans-56.7-47.2178.5-167.8-177.5-178.8-169.60112.5E194 Q195 R200 E201 E202E194-K198 WeakPolarHBondContact O-CB 3.33Å; E194-K198 PolarHBondContact O-N 2.86Å; Q195-K198 PolarHBondContact O-N 3.48Å; K198-R200 PolarHBondContact O-N 3.41Å; K198-E201 PolarHBondContact O-N 3.02Å; K198-E202 WeakPolarHBondContact CE-OE1 3.13Å; K198-E202 IonicContact NZ-OE1 3.87Å; K198-E202 WeakPolarHBondContact O-CB 3.4Å; K198-E202 WeakPolarHBondContact O-CG 3.39Å; K198-E202 PolarHBondContact O-N 3.47Å
199N93.4Very high90.2Very high61 Ų61114.5 Ų114.533%0.32652%0.517SS..Hα-helixtrans-61.8-32.4177.2-69.1-0.1000112.5Q195 I197 R203Q195-N199 PolarHBondContact NE2-OD1 3.17Å; Q195-N199 WeakPolarHBondContact O-CB 3.3Å; Q195-N199 PolarHBondContact O-N 3.23Å; Q195-N199 PolarHBondContact O-OD1 3.11Å; I197-N199 PolarHBondContact O-N 3.12Å; N199-R203 VanDerWaalsContact O-CG 3.24Å; N199-R203 WeakPolarHBondContact O-CG 3.08Å; N199-R203 PolarHBondContact O-N 3.14Å
200R92.8Very high88.7Confident182 Ų182115.3 Ų115.369%0.68752%0.521SS*.Hα-helixtrans-72.7-43.1176.6-176.2179.8179.8-177.2-0.1111R196 I197 K198 R203 L204R196-R200 WeakPolarHBondContact O-CB 3.38Å; R196-R200 PolarHBondContact O-N 2.93Å; R196-R200 VanDerWaalsContact O-N 3.09Å; I197-R200 WeakPolarHBondContact O-CA 3.07Å; I197-R200 WeakPolarHBondContact O-CB 3.13Å; I197-R200 PolarHBondContact O-N 3.14Å; K198-R200 PolarHBondContact O-N 3.41Å; R200-R203 PolarHBondContact O-N 3.21Å; R200-L204 HydrophobicContact CG-CD1 4.37Å; R200-L204 WeakPolarHBondContact O-CG 3.41Å; R200-L204 PolarHBondContact O-N 3.1Å
201E92.4Very high87Confident109 Ų109116.6 Ų116.651%0.50954%0.539SS..Hα-helixtrans-61.9-45.9175.8-70.3172.7170.600111.3I197 K198 R203 L204 L205I197-E201 HydrophobicContact CG2-CG 4.44Å; I197-E201 WeakPolarHBondContact O-CG 3.41Å; I197-E201 PolarHBondContact O-N 3.06Å; K198-E201 PolarHBondContact O-N 3.02Å; E201-R203 VanDerWaalsContact C-N 3.3Å; E201-R203 PolarHBondContact O-N 3.06Å; E201-L204 PolarHBondContact O-N 3.42Å; E201-L204 VanDerWaalsContact O-N 3.1Å; E201-L205 WeakPolarHBondContact O-CG 3.49Å; E201-L205 PolarHBondContact O-N 3.46Å
202E91Very high85.2Confident96 Ų96119.8 Ų119.845%0.44956%0.557SS.*Hα-helixtrans-58-41.1175.3-73.8172.2-179.600111.9K198 L205 H206K198-E202 WeakPolarHBondContact CE-OE1 3.13Å; K198-E202 IonicContact NZ-OE1 3.87Å; K198-E202 WeakPolarHBondContact O-CB 3.4Å; K198-E202 WeakPolarHBondContact O-CG 3.39Å; K198-E202 PolarHBondContact O-N 3.47Å; E202-L205 PolarHBondContact O-N 3.08Å; E202-H206 WeakPolarHBondContact O-CB 3.32Å; E202-H206 PolarHBondContact O-N 3.43Å
203R89.6Confident83.1Confident185 Ų185118.1 Ų118.170%0.69857%0.565SS**Hα-helixtrans-66.3-38175-74.3173.3-173.7-160.50.7112.9N199 R200 E201 R207N199-R203 VanDerWaalsContact O-CG 3.24Å; N199-R203 WeakPolarHBondContact O-CG 3.08Å; N199-R203 PolarHBondContact O-N 3.14Å; R200-R203 PolarHBondContact O-N 3.21Å; E201-R203 VanDerWaalsContact C-N 3.3Å; E201-R203 PolarHBondContact O-N 3.06Å; R203-R207 WeakPolarHBondContact O-CG 3.37Å; R203-R207 PolarHBondContact O-N 2.77Å; R203-R207 VanDerWaalsContact O-N 3.13Å
204L89.9Confident81.1Confident99 Ų99122.2 Ų122.252%0.51858%0.58SS.*Hα-helixtrans-67.6-42.7177.2-72.3169.4000110.9R200 E201 R207 S208R200-L204 HydrophobicContact CG-CD1 4.37Å; R200-L204 WeakPolarHBondContact O-CG 3.41Å; R200-L204 PolarHBondContact O-N 3.1Å; E201-L204 PolarHBondContact O-N 3.42Å; E201-L204 VanDerWaalsContact O-N 3.1Å; L204-R207 PolarHBondContact O-N 3.18Å; L204-S208 PolarHBondContact O-N 3.39Å; L204-S208 PolarHBondContact O-OG 2.78Å
205L85.6Confident78.8Confident106 Ų106124.8 Ų124.856%0.55559%0.592SS**Hα-helixtrans-62.9-40.4175.4-72166.9000112.3E201 E202 S208 N209E201-L205 WeakPolarHBondContact O-CG 3.49Å; E201-L205 PolarHBondContact O-N 3.46Å; E202-L205 PolarHBondContact O-N 3.08Å; L205-S208 WeakPolarHBondContact CA-OG 3.2Å; L205-S208 PolarHBondContact O-N 2.98Å; L205-S208 PolarHBondContact O-OG 3.05Å; L205-N209 WeakPolarHBondContact O-CB 3.26Å; L205-N209 VanDerWaalsContact O-CG 3.31Å; L205-N209 PolarHBondContact O-N 3.41Å
206H80.4Confident76.3Confident114 Ų114128.9 Ų128.953%0.52861%0.611SS.*Hα-helixtrans-62.7-45.4175.6-162.8-71.5000111.4E202 S208 N209 E210E202-H206 WeakPolarHBondContact O-CB 3.32Å; E202-H206 PolarHBondContact O-N 3.43Å; H206-S208 PolarHBondContact O-N 3.12Å; H206-N209 PolarHBondContact O-N 2.84Å; H206-E210 VanDerWaalsContact CE1-CD 3.43Å; H206-E210 IonicContact CE1-OE1 2.97Å; H206-E210 PolarHBondContact CE1-OE1 2.57Å; H206-E210 IonicContact CE1-OE2 3.96Å; H206-E210 IonicContact ND1-OE1 3.99Å; H206-E210 PolarHBondContact ND1-OE1 3.43Å; H206-E210 IonicContact ND1-OE2 3.59Å; H206-E210 PolarHBondContact ND1-OE2 3.4Å; H206-E210 WeakPolarHBondContact O-CG 3.48Å; H206-E210 PolarHBondContact O-N 2.82Å
207R80.1Confident74Confident184 Ų184126.3 Ų126.369%0.69462%0.617SS**Hα-helixtrans-66.2-34.5177.8-71.6179.176.7-174.24.6112.9R203 L204 A211R203-R207 WeakPolarHBondContact O-CG 3.37Å; R203-R207 PolarHBondContact O-N 2.77Å; R203-R207 VanDerWaalsContact O-N 3.13Å; L204-R207 PolarHBondContact O-N 3.18Å; R207-A211 WeakPolarHBondContact O-CB 3.12Å; R207-A211 PolarHBondContact O-N 2.97Å; R207-A211 VanDerWaalsContact O-N 3.17Å
208S76.1Confident71.5Confident58 Ų58130.9 Ų130.941%0.40664%0.636SS.*Hα-helixtrans-70.7-36174.759.60000112.2L204 L205 H206 A211 L212L204-S208 PolarHBondContact O-N 3.39Å; L204-S208 PolarHBondContact O-OG 2.78Å; L205-S208 WeakPolarHBondContact CA-OG 3.2Å; L205-S208 PolarHBondContact O-N 2.98Å; L205-S208 PolarHBondContact O-OG 3.05Å; H206-S208 PolarHBondContact O-N 3.12Å; S208-A211 PolarHBondContact O-N 2.8Å; S208-L212 PolarHBondContact O-N 3.17Å
209N71.1Confident69.2Low112 Ų112135 Ų13560%0.59966%0.657SS**Hα-helixtrans-70.8-32.2176-74.1-6.1000112.7L205 H206 A211L205-N209 WeakPolarHBondContact O-CB 3.26Å; L205-N209 VanDerWaalsContact O-CG 3.31Å; L205-N209 PolarHBondContact O-N 3.41Å; H206-N209 PolarHBondContact O-N 2.84Å; N209-A211 VanDerWaalsContact C-N 3.32Å
210E65.6Low66.5Low137 Ų137141.5 Ų141.564%0.6469%0.685SS**Hα-helixtrans-73.2-23171.6-73.6175.2146.500113.2H206H206-E210 VanDerWaalsContact CE1-CD 3.43Å; H206-E210 IonicContact CE1-OE1 2.97Å; H206-E210 PolarHBondContact CE1-OE1 2.57Å; H206-E210 IonicContact CE1-OE2 3.96Å; H206-E210 IonicContact ND1-OE1 3.99Å; H206-E210 PolarHBondContact ND1-OE1 3.43Å; H206-E210 IonicContact ND1-OE2 3.59Å; H206-E210 PolarHBondContact ND1-OE2 3.4Å; H206-E210 WeakPolarHBondContact O-CG 3.48Å; H206-E210 PolarHBondContact O-N 2.82Å
211A60.5Low63.8Low78 Ų78136.3 Ų136.365%0.64569%0.688SS**SBendtrans-90.7-5.6-179.500000114.2R207 S208 N209 P213R207-A211 WeakPolarHBondContact O-CB 3.12Å; R207-A211 PolarHBondContact O-N 2.97Å; R207-A211 VanDerWaalsContact O-N 3.17Å; S208-A211 PolarHBondContact O-N 2.8Å; N209-A211 VanDerWaalsContact C-N 3.32Å; A211-P213 WeakPolarHBondContact O-CD 3.46Å
212L55.9Low61.1Low121 Ų121142.5 Ų142.563%0.63471%0.707SS**SBendtrans-74.7117.3169.9-87.2149.9000108.6S208 K214S208-L212 PolarHBondContact O-N 3.17Å; L212-K214 PolarHBondContact O-N 3.21Å
213P51.9Low58.6Low111 Ų111145.1 Ų145.172%0.72172%0.723SS**  trans-59.8132.5175.4-15.528.4000108.8A211 E215A211-P213 WeakPolarHBondContact O-CD 3.46Å; P213-E215 PolarHBondContact O-N 3.4Å
214K54Low56.3Low201 Ų201141.9 Ų141.987%0.87473%0.726SS**  trans-60.5107.8156.6-72.8-179.2177.1179.20105.3L212 E216L212-K214 PolarHBondContact O-N 3.21Å; K214-E216 PolarHBondContact O-N 2.98Å
215E45.8Very low54.4Low181 Ų181143 Ų14385%0.84674%0.737SS**  trans-54.6108.8163.7-81.8-179.1159.700106.6P213 T217P213-E215 PolarHBondContact O-N 3.4Å; E215-T217 PolarHBondContact O-N 2.84Å
216E42.5Very low52.5Low184 Ų184147 Ų14786%0.8675%0.753SS**  trans-61.5100.5166.8-73.9176.8160.700106.9K214 E218K214-E216 PolarHBondContact O-N 2.98Å; E216-E218 PolarHBondContact O-N 2.82Å
217T45.2Very low51.1Low135 Ų135147.9 Ų147.983%0.82876%0.762SS**  trans-70.980.5159.443.80000108.4E215E215-T217 PolarHBondContact O-N 2.84Å
218E43.8Very low49.5Very low185 Ų185147.9 Ų147.986%0.86476%0.763SS**  trans-130.884.6158.7-83.3-166.6170.600109.7E216E216-E218 PolarHBondContact O-N 2.82Å
219E44.8Very low48Very low196 Ų196151.8 Ų151.892%0.91678%0.777SS**  trans-142.583.7151.5-126.8-175.9-17600108.8
220Q37.1Very low46.9Very low198 Ų198150 Ų15093%0.92577%0.773SS**  trans-122119.5154.7-85.3-174.9-9.300107
221G37Very low46.1Very low72 Ų72151.4 Ų151.474%0.74278%0.779SS**  trans-85.7177-166.300000115.8
222R35.6Very low45.7Very low239 Ų239153.4 Ų153.490%0.90278%0.778SS**  trans68.8129.1153.7-76.8179.8-177.5-177.40.7115.9
223L38.2Very low45.3Very low151 Ų151154.5 Ų154.579%0.79178%0.783SS**  cis-157.716023.3-87.7136.9000110.3
224P40.3Very low45.1Very low117 Ų117158.3 Ų158.376%0.7679%0.791SS**  trans-77.6141.5167.81.716.7000111.4
225T50Low44.6Very low123 Ų123157.6 Ų157.676%0.75579%0.788SS**  trans-73.1147.5177.138.60000112.5D227T225-D227 PolarHBondContact O-N 3.32Å
226E47.6Very low44.3Very low189 Ų189164.6 Ų164.688%0.88381%0.807SS**G310 helixtrans-56.1-7.9-173.4-96.8173.4150.800116.6Y228E226-Y228 PolarHBondContact O-N 2.9Å
227D49.7Very low44.4Very low134 Ų134163.7 Ų163.772%0.71780%0.804SS**G310 helixtrans-82.1-10.4-172.4-120-1.2000114.4T225T225-D227 PolarHBondContact O-N 3.32Å
228Y46.8Very low44.4Very low184 Ų184165.2 Ų165.272%0.72280%0.803SS**G310 helixtrans-91.2-12.4-179.9-160.4-101.8000113.9E226E226-Y228 PolarHBondContact O-N 2.9Å
229M44.9Very low44.4Very low139 Ų139164.1 Ų164.169%0.68580%0.799SS**SBendtrans-98.1-7.5-175.8-68.3-64-71.900114.1
230S47.1Very low44.4Very low75 Ų75162.2 Ų162.252%0.52479%0.793SS.*SBendtrans-84.3-16.2179.558.90000114
231H49.3Very low44.8Very low166 Ų166159.9 Ų159.977%0.76978%0.784SS**SBendtrans-952.2-174.2-81.5-75.9000115.8
232I52Low45.4Very low120 Ų120165.8 Ų165.862%0.61579%0.787SS**SBendtrans-111.7-5.5-173.9-66175.3000113.4
233I48.4Very low46.1Very low144 Ų144160.6 Ų160.674%0.73878%0.779SS**SBendtrans-101.7-3.9-174.7-65.9174000114.6
234E46.9Very low46.7Very low191 Ų191161.3 Ų161.389%0.89378%0.778SS**SBendtrans-100.717.2178.7-84.6-165.2167.600116.5
235K44.4Very low47.2Very low186 Ų186165 Ų16581%0.80978%0.78SS**  trans-140.785.4162.6-83-171.1175.4176.90109.5
236W39.3Very low46.9Very low329 Ų329168.8 Ų168.8100%1.24678%0.782SS**  trans-173.80139.9-88.8105.4000108.9

Retrieved 236 of 236 residues in 2127 ms (Link to these results)

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