A0A087X2K2_POEFO Loading...

Phosphoglycerate kinase

AlphaFold DB , UniProt , Accession A0A087X2K2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 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
1M60.4Low90Very high134 Ų13454.2 Ų54.266%0.6629%0.29SS*.  0131.30-168.2178.7-67.800107.4V407 D412M1-V407 HydrophobicContact CE-CG1 3.95Å; M1-V407 HydrophobicContact SD-CG1 4.08Å; M1-D412 HydrophobicContact CE-CB 3.89Å; M1-D412 WeakPolarHBondContact CE-OD1 3.31Å; M1-D412 HydrophobicContact SD-CB 3.8Å
2S82.9Confident90.6Very high49 Ų4950.4 Ų50.434%0.34327%0.271SS..  trans-83134.8-179.8-1790000110.4S4 E202S2-S4 VanDerWaalsContact C-N 3.28Å; S2-S4 WeakPolarHBondContact OG-CB 3.21Å; S2-S4 PolarHBondContact OG-N 3.44Å; S2-E202 WeakPolarHBondContact CA-OE1 3.46Å; S2-E202 PolarHBondContact OG-OE1 3.12Å; S2-E202 PolarHBondContact OG-OE2 3.4Å
3L87.1Confident91.2Very high21 Ų2154.8 Ų54.811%0.1129%0.294CS..SBendtrans-72.4-28.5171.6-62.6173.9000111N5 L194 F197 A198 L201 E202 L402 V411L3-N5 VanDerWaalsContact C-N 3.31Å; L3-N5 PolarHBondContact O-N 3.48Å; L3-L194 HydrophobicContact CB-CD2 4.43Å; L3-L194 HydrophobicContact CD2-CD2 3.89Å; L3-F197 HydrophobicContact CD1-CB 3.98Å; L3-A198 HydrophobicContact CB-CB 3.97Å; L3-L201 HydrophobicContact CD1-CD1 4.25Å; L3-E202 PolarHBondContact N-OE1 3.08Å; L3-L402 HydrophobicContact CD1-CD1 4.1Å; L3-L402 HydrophobicContact CD1-CD2 4.05Å; L3-L402 HydrophobicContact CD1-CG 4.39Å; L3-L402 HydrophobicContact CD2-CD1 3.84Å; L3-L402 HydrophobicContact CD2-CD2 4.44Å; L3-V411 HydrophobicContact CD2-CG1 4.27Å
4S84.9Confident91.7Very high72 Ų7251 Ų5150%0.50327%0.274SS..THydrogen-bonded Turntrans-75.6-10.9-175.6-52.10000114.7S2 A198 E202S2-S4 VanDerWaalsContact C-N 3.28Å; S2-S4 WeakPolarHBondContact OG-CB 3.21Å; S2-S4 PolarHBondContact OG-N 3.44Å; S4-A198 VanDerWaalsContact OG-CB 3.32Å; S4-A198 WeakPolarHBondContact OG-CB 3.47Å; S4-E202 PolarHBondContact OG-OE2 3.42Å
5N90.8Very high92.1Very high85 Ų8554.5 Ų54.546%0.45529%0.292SS..THydrogen-bonded Turntrans-110.525.7-170.9-164.336000114.3L3 S416 A417L3-N5 VanDerWaalsContact C-N 3.31Å; L3-N5 PolarHBondContact O-N 3.48Å; N5-S416 WeakPolarHBondContact O-CA 3.22Å; N5-A417 PolarHBondContact O-N 3.27Å
6K95.9Very high92.5Very high18 Ų1853.9 Ų53.98%0.07830%0.304CS..BIsolated β-bridgetrans-95.1141.5178.6-63.3-55.6-168.5163.60111.2T8 L194 V411 D412 L414K6-T8 PolarHBondContact O-N 3.05Å; K6-L194 HydrophobicContact CB-CD1 4.12Å; K6-L194 HydrophobicContact CG-CD1 4.31Å; K6-V411 WeakPolarHBondContact CE-O 3.41Å; K6-V411 HydrophobicContact CG-CG1 4.26Å; K6-V411 PolarHBondContact NZ-O 3.17Å; K6-V411 VanDerWaalsContact NZ-O 3.16Å; K6-D412 PolarHBondContact NZ-O 2.69Å; K6-L414 HydrophobicContact CB-CB 4.36Å; K6-L414 HydrophobicContact CB-CD1 4.26Å; K6-L414 HydrophobicContact CD-CB 3.99Å; K6-L414 HydrophobicContact CG-CB 4.37Å; K6-L414 HydrophobicContact CG-CD1 4.45Å; K6-L414 PolarHBondContact NZ-O 3.1Å
7L97.8Very high92.9Very high13 Ų1356.1 Ų56.17%0.06831%0.309CS..  trans-60.9133174.6-176.765.4000108.8K11 V12 Q183 A185 A186 S415L7-K11 HydrophobicContact CD1-CB 3.95Å; L7-V12 HydrophobicContact CD1-CG2 4.19Å; L7-V12 HydrophobicContact CD2-CG2 3.84Å; L7-V12 HydrophobicContact CG-CG2 3.92Å; L7-Q183 HydrophobicContact CD2-CB 4.29Å; L7-Q183 HydrophobicContact CD2-CG 4.48Å; L7-A185 HydrophobicContact CD2-CB 4.19Å; L7-A185 HydrophobicContact CG-CB 4.02Å; L7-A185 CarbonylContact O-C 3.23Å; L7-A185 VanDerWaalsContact O-CA 3.29Å; L7-A185 WeakPolarHBondContact O-CA 3.24Å; L7-A186 PolarHBondContact O-N 3.47Å; L7-S415 WeakPolarHBondContact CB-O 3.48Å; L7-S415 PolarHBondContact N-O 2.76Å
8T98.1Very high93.2Very high11 Ų1154.8 Ų54.87%0.06730%0.299CS..BIsolated β-bridgetrans-119.2155.3-178.754.20000110.7K6 D10 K11 A186 K191K6-T8 PolarHBondContact O-N 3.05Å; T8-D10 WeakPolarHBondContact CB-OD1 3.41Å; T8-D10 PolarHBondContact O-N 3.46Å; T8-D10 VanDerWaalsContact O-N 3.17Å; T8-D10 PolarHBondContact OG1-OD1 3.01Å; T8-K11 WeakPolarHBondContact O-CB 3.41Å; T8-K11 PolarHBondContact O-N 3.29Å; T8-A186 CarbonylContact C-O 3.58Å; T8-A186 WeakPolarHBondContact CA-O 3.27Å; T8-A186 HydrophobicContact CG2-CB 4.23Å; T8-K191 HydrophobicContact CG2-CB 4.03Å; T8-K191 HydrophobicContact CG2-CD 3.68Å; T8-K191 HydrophobicContact CG2-CG 3.65Å
9L98.3Very high93.5Very high0 Ų051.9 Ų51.90%028%0.283CS..G310 helixtrans-55.8-33.4-174-18058.2000113.8K11 V12 V14 Y49 V162 A186 F188L9-K11 PolarHBondContact O-N 2.69Å; L9-V12 PolarHBondContact O-N 3.29Å; L9-V14 HydrophobicContact CD1-CG1 4.14Å; L9-Y49 HydrophobicContact CD1-CD1 4.39Å; L9-Y49 HydrophobicContact CD2-CD1 3.93Å; L9-Y49 HydrophobicContact CG-CD1 3.75Å; L9-Y49 HydrophobicContact CG-CE1 4.01Å; L9-V162 HydrophobicContact CD1-CG2 3.81Å; L9-A186 WeakPolarHBondContact CB-O 3.4Å; L9-A186 PolarHBondContact N-O 3.3Å; L9-F188 HydrophobicContact CD2-CE2 4.37Å
10D97Very high93.8Very high70 Ų7049.3 Ų49.337%0.37427%0.269SS..G310 helixtrans-64.9-14.7175.655.9-52.6000114.1T8 F188T8-D10 WeakPolarHBondContact CB-OD1 3.41Å; T8-D10 PolarHBondContact O-N 3.46Å; T8-D10 VanDerWaalsContact O-N 3.17Å; T8-D10 PolarHBondContact OG1-OD1 3.01Å; D10-F188 HydrophobicContact CB-CE1 4.13Å
11K97.3Very high94Very high123 Ų12347 Ų4754%0.53526%0.256SS..G310 helixtrans-106.59.4178.7-60.4-179179.3178.90113.5L7 T8 L9L7-K11 HydrophobicContact CD1-CB 3.95Å; T8-K11 WeakPolarHBondContact O-CB 3.41Å; T8-K11 PolarHBondContact O-N 3.29Å; L9-K11 PolarHBondContact O-N 2.69Å
12V96.9Very high95.9Very high9 Ų940.6 Ų40.66%0.05522%0.224CC..SBendtrans-112.4133.9179.9-1750000110.6L7 L9 V14 V160 A185L7-V12 HydrophobicContact CD1-CG2 4.19Å; L7-V12 HydrophobicContact CD2-CG2 3.84Å; L7-V12 HydrophobicContact CG-CG2 3.92Å; L9-V12 PolarHBondContact O-N 3.29Å; V12-V14 HydrophobicContact CG1-CG1 4.28Å; V12-V14 PolarHBondContact O-N 3.38Å; V12-V160 HydrophobicContact CG1-CG1 3.78Å; V12-V160 HydrophobicContact CG1-CG2 4.14Å; V12-A185 HydrophobicContact CG2-CB 3.7Å
13D97.8Very high96.6Very high107 Ų10738.2 Ų38.257%0.57221%0.208SC*.  trans-79.5110.2170-178.317.1000110.1N15D13-N15 WeakPolarHBondContact OD1-CB 3.4Å; D13-N15 PolarHBondContact OD1-N 2.83Å
14V98.4Very high97.1Very high2 Ų237.9 Ų37.91%0.01221%0.206CC..  trans-102.2-2.6180-61.50000112.7L9 V12 G16 K17 V19 R53 A55L9-V14 HydrophobicContact CD1-CG1 4.14Å; V12-V14 HydrophobicContact CG1-CG1 4.28Å; V12-V14 PolarHBondContact O-N 3.38Å; V14-G16 PolarHBondContact O-N 2.9Å; V14-K17 WeakPolarHBondContact O-CB 3.38Å; V14-K17 PolarHBondContact O-N 3.25Å; V14-V19 HydrophobicContact CB-CG2 4.1Å; V14-V19 HydrophobicContact CG1-CG2 3.97Å; V14-R53 HydrophobicContact CG2-CB 3.43Å; V14-R53 VanDerWaalsContact CG2-CB 3.43Å; V14-R53 HydrophobicContact CG2-CG 4.4Å; V14-A55 HydrophobicContact CB-CB 4.43Å; V14-A55 VanDerWaalsContact O-CA 3.27Å; V14-A55 WeakPolarHBondContact O-CA 3.25Å
15N98.5Very high97.7Very high103 Ų10334.4 Ų34.455%0.55118%0.182SC*.THydrogen-bonded Turntrans-63.3124.4-174.8-175.727.8000111.4D13 K17 R53 G54D13-N15 WeakPolarHBondContact OD1-CB 3.4Å; D13-N15 PolarHBondContact OD1-N 2.83Å; N15-K17 PolarHBondContact O-N 3.46Å; N15-K17 VanDerWaalsContact O-N 3.15Å; N15-R53 WeakPolarHBondContact CA-O 3.39Å; N15-R53 WeakPolarHBondContact CB-O 3.47Å; N15-G54 PolarHBondContact OD1-O 2.74Å
16G98.4Very high97.9Very high46 Ų4633 Ų3347%0.47417%0.174SC..THydrogen-bonded Turntrans67.14.6-175.100000115.1V14 G54 K56V14-G16 PolarHBondContact O-N 2.9Å; G16-G54 PolarHBondContact N-O 3.41Å; G16-K56 WeakPolarHBondContact O-CB 3.4Å
17K98.6Very high97.8Very high90 Ų9032.3 Ų32.339%0.39117%0.172SC..  trans-91.2150.7-179.8-56.8-62.2-177.81750112V14 N15 A55 K56 S57 D159V14-K17 WeakPolarHBondContact O-CB 3.38Å; V14-K17 PolarHBondContact O-N 3.25Å; N15-K17 PolarHBondContact O-N 3.46Å; N15-K17 VanDerWaalsContact O-N 3.15Å; K17-A55 CarbonylContact O-C 3.47Å; K17-K56 PolarHBondContact O-N 2.97Å; K17-S57 PolarHBondContact O-N 2.99Å; K17-D159 HydrophobicContact CB-CB 4.48Å; K17-D159 HydrophobicContact CD-CB 4.27Å
18R98.8Very high97.3Very high33 Ų3334.9 Ų34.913%0.12519%0.189CC..EExtended strand (participates in β ladder)trans-85.2121.8165.4-55.7179.3-60.8141.28.8108.2K56 C108 K156 G158 D159 V160R18-K56 HydrophobicContact CG-CB 4.49Å; R18-K56 HydrophobicContact CG-CD 4.34Å; R18-C108 VanDerWaalsContact CD-O 3.26Å; R18-C108 WeakPolarHBondContact CD-O 3.47Å; R18-C108 PolarHBondContact NH1-O 2.92Å; R18-K156 PolarHBondContact NH1-O 3.25Å; R18-K156 PolarHBondContact NH2-O 2.67Å; R18-K156 VanDerWaalsContact NH2-O 3.15Å; R18-G158 PolarHBondContact NH2-O 3.09Å; R18-G158 CarbonylContact O-C 3.58Å; R18-G158 WeakPolarHBondContact O-CA 3.4Å; R18-D159 WeakPolarHBondContact CB-OD2 3.41Å; R18-D159 IonicContact CZ-OD1 2.61Å; R18-D159 PolarHBondContact N-OD2 3.39Å; R18-D159 IonicContact NE-OD1 3.68Å; R18-D159 PolarHBondContact NE-OD1 3.1Å; R18-D159 IonicContact NE-OD2 2.72Å; R18-D159 IonicContact NH2-OD1 3.62Å; R18-D159 PolarHBondContact NH2-OD1 3.42Å; R18-D159 PolarHBondContact O-N 3.43Å; R18-V160 PolarHBondContact O-N 3.23Å
19V98.9Very high96.9Very high0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-104.4115.1-179.6-178.30000108.5V14 M21 A55 S57 V58 V59 V162V14-V19 HydrophobicContact CB-CG2 4.1Å; V14-V19 HydrophobicContact CG1-CG2 3.97Å; V19-M21 HydrophobicContact CG1-CB 4.5Å; V19-M21 HydrophobicContact CG1-CE 4.37Å; V19-A55 HydrophobicContact CG2-CB 4.14Å; V19-S57 PolarHBondContact N-O 2.83Å; V19-V58 CarbonylContact O-C 3.48Å; V19-V58 WeakPolarHBondContact O-CA 3.45Å; V19-V59 PolarHBondContact O-N 2.93Å; V19-V162 HydrophobicContact CG1-CB 4.26Å; V19-V162 HydrophobicContact CG1-CG2 3.59Å
20I98.9Very high96.6Very high0 Ų043.8 Ų43.80%023%0.229CC..EExtended strand (participates in β ladder)trans-90120.5167-176.6178.5000108.6V59 M61 L154 L157 V160 Y161 V162 V179 L181I20-V59 CarbonylContact C-O 3.44Å; I20-V59 WeakPolarHBondContact CA-O 3.48Å; I20-M61 HydrophobicContact CD1-CE 3.66Å; I20-M61 HydrophobicContact CD1-SD 3.74Å; I20-M61 HydrophobicContact CG1-CE 3.82Å; I20-M61 HydrophobicContact CG1-CG 4.45Å; I20-M61 HydrophobicContact CG1-SD 4.16Å; I20-L154 HydrophobicContact CD1-CB 4.42Å; I20-L154 VanDerWaalsContact CD1-O 3.22Å; I20-L154 WeakPolarHBondContact CD1-O 3.23Å; I20-L157 HydrophobicContact CD1-CB 4.15Å; I20-L157 HydrophobicContact CD1-CD1 4.41Å; I20-V160 PolarHBondContact N-O 3.4Å; I20-Y161 HydrophobicContact CG2-CD2 4.23Å; I20-Y161 CarbonylContact O-C 3.58Å; I20-Y161 WeakPolarHBondContact O-CA 3.31Å; I20-V162 PolarHBondContact O-N 3.21Å; I20-V179 HydrophobicContact CG2-CG1 4.28Å; I20-L181 HydrophobicContact CG2-CD1 3.7Å
21M98.9Very high96.1Very high0 Ų046.7 Ų46.70%024%0.244CC..EExtended strand (participates in β ladder)trans-123.6124-172.7-174.7-175.1-6200111V19 V23 I47 V58 V59 L60 M61 V162V19-M21 HydrophobicContact CG1-CB 4.5Å; V19-M21 HydrophobicContact CG1-CE 4.37Å; M21-V23 HydrophobicContact CG-CG1 3.76Å; M21-V23 HydrophobicContact SD-CG1 3.71Å; M21-I47 HydrophobicContact SD-CG1 4.11Å; M21-V58 HydrophobicContact CE-CG1 4.28Å; M21-V59 PolarHBondContact N-O 2.94Å; M21-L60 HydrophobicContact CB-CD2 4.09Å; M21-L60 HydrophobicContact CG-CD2 4.39Å; M21-L60 WeakPolarHBondContact O-CA 3.21Å; M21-L60 HydrophobicContact SD-CD2 4.11Å; M21-M61 PolarHBondContact O-N 2.93Å; M21-V162 CarbonylContact C-O 3.58Å; M21-V162 VanDerWaalsContact CA-O 3.22Å; M21-V162 WeakPolarHBondContact CA-O 3.34Å; M21-V162 HydrophobicContact CB-CB 4.19Å; M21-V162 HydrophobicContact CE-CB 4.18Å; M21-V162 HydrophobicContact CE-CG1 4Å; M21-V162 HydrophobicContact CG-CB 3.93Å; M21-V162 HydrophobicContact CG-CG1 3.99Å; M21-V162 HydrophobicContact SD-CG1 4.47Å
22R98.9Very high95.5Very high0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-90.4112.8171.1-178.433163.7146.9-25109.7M61 S62 H63 Y161 V162 D164 A165 S175 M176R22-M61 HydrophobicContact CB-CE 3.8Å; R22-M61 HydrophobicContact CB-CG 4.17Å; R22-M61 WeakPolarHBondContact CD-O 3.48Å; R22-S62 VanDerWaalsContact CZ-CA 3.48Å; R22-S62 PolarHBondContact NH1-OG 3.14Å; R22-H63 PolarHBondContact NH2-ND1 2.99Å; R22-Y161 HydrophobicContact CB-CE2 4.01Å; R22-V162 PolarHBondContact N-O 3.4Å; R22-D164 CarbonylContact O-C 3.49Å; R22-D164 WeakPolarHBondContact O-CA 3.37Å; R22-D164 PolarHBondContact O-N 2.86Å; R22-A165 HydrophobicContact CG-CB 3.9Å; R22-A165 PolarHBondContact O-N 2.76Å; R22-S175 PolarHBondContact NE-OG 2.86Å; R22-M176 HydrophobicContact CB-CE 4.05Å; R22-M176 HydrophobicContact CG-CE 3.1Å
23V98.7Very high95.2Very high0 Ų052.7 Ų52.70%027%0.272CS..EExtended strand (participates in β ladder)trans-114.4152.2-179-65.20000110.9M21 F25 A43 L60 M61 S62 D164M21-V23 HydrophobicContact CG-CG1 3.76Å; M21-V23 HydrophobicContact SD-CG1 3.71Å; V23-F25 HydrophobicContact CB-CD1 4.27Å; V23-F25 HydrophobicContact CB-CE1 3.98Å; V23-F25 HydrophobicContact CB-CE2 4.5Å; V23-F25 HydrophobicContact CB-CZ 4.13Å; V23-F25 HydrophobicContact CG2-CD1 3.91Å; V23-F25 HydrophobicContact CG2-CD2 3.59Å; V23-F25 HydrophobicContact CG2-CE1 3.75Å; V23-F25 HydrophobicContact CG2-CE2 3.45Å; V23-F25 VanDerWaalsContact CG2-CE2 3.45Å; V23-F25 HydrophobicContact CG2-CG 3.84Å; V23-F25 HydrophobicContact CG2-CZ 3.53Å; V23-F25 PolarHBondContact O-N 2.89Å; V23-A43 HydrophobicContact CB-CB 4.14Å; V23-A43 HydrophobicContact CG1-CB 3.91Å; V23-L60 HydrophobicContact CG1-CD2 3.85Å; V23-L60 HydrophobicContact CG2-CB 4.39Å; V23-L60 HydrophobicContact CG2-CD2 4.34Å; V23-M61 PolarHBondContact N-O 3.08Å; V23-S62 WeakPolarHBondContact O-CB 3.32Å; V23-S62 PolarHBondContact O-OG 3.42Å; V23-S62 VanDerWaalsContact O-OG 3.11Å; V23-D164 HydrophobicContact CG1-CB 4.47Å
24D96.9Very high95.1Very high13 Ų1349.5 Ų49.57%0.0725%0.254CS..  trans-91.483.5178.3-173.511.1000112.6N26 R39 A165D24-N26 VanDerWaalsContact C-N 3.32Å; D24-N26 PolarHBondContact O-N 2.93Å; D24-N26 WeakPolarHBondContact OD1-CB 3.4Å; D24-N26 PolarHBondContact OD1-N 2.87Å; D24-R39 VanDerWaalsContact O-CB 3.24Å; D24-R39 WeakPolarHBondContact O-CB 3.09Å; D24-R39 IonicContact OD2-CZ 3.38Å; D24-R39 IonicContact OD2-NH1 2.74Å; D24-R39 PolarHBondContact OD2-NH1 3.26Å; D24-A165 HydrophobicContact CB-CB 4.13Å
25F97.6Very high94.6Very high0 Ų053.5 Ų53.50%028%0.278CS..  trans-93.327.6175-61.6-22.5000114.4V23 V27 I40 A43 I47 L60 S62 L78 V81 L85 L118V23-F25 HydrophobicContact CB-CD1 4.27Å; V23-F25 HydrophobicContact CB-CE1 3.98Å; V23-F25 HydrophobicContact CB-CE2 4.5Å; V23-F25 HydrophobicContact CB-CZ 4.13Å; V23-F25 HydrophobicContact CG2-CD1 3.91Å; V23-F25 HydrophobicContact CG2-CD2 3.59Å; V23-F25 HydrophobicContact CG2-CE1 3.75Å; V23-F25 HydrophobicContact CG2-CE2 3.45Å; V23-F25 VanDerWaalsContact CG2-CE2 3.45Å; V23-F25 HydrophobicContact CG2-CG 3.84Å; V23-F25 HydrophobicContact CG2-CZ 3.53Å; V23-F25 PolarHBondContact O-N 2.89Å; F25-V27 PolarHBondContact O-N 3.41Å; F25-I40 HydrophobicContact CD1-CB 4.4Å; F25-I40 HydrophobicContact CD1-CG1 4.02Å; F25-I40 HydrophobicContact CE1-CB 4.24Å; F25-I40 HydrophobicContact CE1-CG1 4.33Å; F25-I40 HydrophobicContact CE1-CG2 4.06Å; F25-I40 HydrophobicContact CG-CG1 4.48Å; F25-I40 HydrophobicContact CZ-CG2 4.25Å; F25-A43 HydrophobicContact CE1-CB 3.71Å; F25-A43 HydrophobicContact CZ-CB 4.23Å; F25-I47 HydrophobicContact CZ-CD1 4.47Å; F25-L60 HydrophobicContact CE2-CD1 4.24Å; F25-L60 HydrophobicContact CZ-CD1 4.48Å; F25-S62 WeakPolarHBondContact CA-OG 3.48Å; F25-S62 WeakPolarHBondContact CB-OG 3.4Å; F25-S62 PolarHBondContact N-OG 3.5Å; F25-L78 HydrophobicContact CB-CD2 4.22Å; F25-V81 HydrophobicContact CB-CG1 3.87Å; F25-V81 HydrophobicContact CD2-CG1 3.43Å; F25-V81 VanDerWaalsContact CD2-CG1 3.43Å; F25-V81 HydrophobicContact CE2-CG1 3.99Å; F25-V81 HydrophobicContact CG-CG1 3.74Å; F25-L85 HydrophobicContact CE2-CD2 4.12Å; F25-L85 HydrophobicContact CZ-CD1 4.36Å; F25-L85 HydrophobicContact CZ-CD2 4.18Å; F25-L118 HydrophobicContact CD2-CD1 4.1Å; F25-L118 HydrophobicContact CE2-CD1 4.13Å
26N95.6Very high94Very high54 Ų5451.7 Ų51.729%0.28927%0.269SS..  trans-77.571.9172.9-174.543.3000110.9D24 R39 G65D24-N26 VanDerWaalsContact C-N 3.32Å; D24-N26 PolarHBondContact O-N 2.93Å; D24-N26 WeakPolarHBondContact OD1-CB 3.4Å; D24-N26 PolarHBondContact OD1-N 2.87Å; N26-R39 WeakPolarHBondContact O-CD 3.38Å; N26-R39 PolarHBondContact O-NE 3.39Å; N26-G65 PolarHBondContact OD1-N 3.45Å
27V92.4Very high93.7Very high5 Ų551.3 Ų51.33%0.0326%0.256CS..  trans-84.4149.9-178.5-68.40000112.1F25 M29 I34 R39 I40 L64 V81F25-V27 PolarHBondContact O-N 3.41Å; V27-M29 HydrophobicContact CG2-SD 3.92Å; V27-M29 PolarHBondContact O-N 3.15Å; V27-I34 HydrophobicContact CB-CG2 4.15Å; V27-I34 HydrophobicContact CG2-CG1 4.06Å; V27-I34 HydrophobicContact CG2-CG2 4.05Å; V27-R39 HydrophobicContact CG1-CB 4.05Å; V27-I40 HydrophobicContact CG1-CD1 4.01Å; V27-I40 HydrophobicContact CG1-CG1 3.84Å; V27-L64 HydrophobicContact CG2-CD1 4.3Å; V27-L64 WeakPolarHBondContact O-CD1 3.39Å; V27-V81 HydrophobicContact CG2-CG2 4.07Å
28P88.6Confident93.1Very high66 Ų6650.7 Ų50.743%0.42925%0.254SS..  trans-69127.517429-33.8000110.6T35 N36P28-T35 WeakPolarHBondContact CB-OG1 3.48Å; P28-T35 WeakPolarHBondContact CG-OG1 3.46Å; P28-T35 PolarHBondContact O-N 3.24Å; P28-T35 PolarHBondContact O-OG1 2.96Å; P28-N36 HydrophobicContact CG-CB 3.75Å
29M90.1Very high92.7Very high60 Ų6053.1 Ų53.130%0.29626%0.264SS..EExtended strand (participates in β ladder)trans-114.4139.1-177.2-61.4-67.7-80.300110.5V27 K32 H33 I34 L64 P80V27-M29 HydrophobicContact CG2-SD 3.92Å; V27-M29 PolarHBondContact O-N 3.15Å; M29-K32 WeakPolarHBondContact CE-O 3.49Å; M29-H33 CarbonylContact C-O 3.56Å; M29-H33 WeakPolarHBondContact CA-O 3.22Å; M29-I34 HydrophobicContact CE-CG1 4.26Å; M29-I34 HydrophobicContact SD-CB 4.24Å; M29-I34 HydrophobicContact SD-CG1 3.56Å; M29-I34 VanDerWaalsContact SD-CG1 3.56Å; M29-L64 HydrophobicContact CG-CD1 4.22Å; M29-L64 HydrophobicContact CG-CD2 4.19Å; M29-P80 HydrophobicContact CE-CB 4Å; M29-P80 HydrophobicContact CE-CG 3.97Å
30K90.5Very high92.6Very high139 Ų13953.1 Ų53.160%0.60426%0.264SS*.EExtended strand (participates in β ladder)trans-131.3121.9167.6-176.2177.5179.2-1780108.2K32 H33 T35K30-K32 VanDerWaalsContact C-N 3.29Å; K30-K32 PolarHBondContact O-N 3.46Å; K30-H33 PolarHBondContact N-O 3.43Å; K30-H33 WeakPolarHBondContact O-CA 3.33Å; K30-H33 WeakPolarHBondContact O-CB 3.45Å; K30-H33 PolarHBondContact O-N 3.45Å; K30-T35 HydrophobicContact CB-CG2 3.51Å
31D87.1Confident92.3Very high130 Ų13058.3 Ų58.370%0.69529%0.286SS*.THydrogen-bonded Turntrans50.445.9179.2-53.2-43000113.4H33D31-H33 PolarHBondContact O-CD2 2.74Å; D31-H33 PolarHBondContact O-N 3.3Å
32K85.6Confident92Very high118 Ų11860 Ų6051%0.51330%0.3SS..THydrogen-bonded Turntrans65.54.3-174.9-57.7178.5169.1-175.20115.8M29 K30 E74M29-K32 WeakPolarHBondContact CE-O 3.49Å; K30-K32 VanDerWaalsContact C-N 3.29Å; K30-K32 PolarHBondContact O-N 3.46Å; K32-E74 WeakPolarHBondContact CE-O 3.26Å; K32-E74 IonicContact NZ-OE2 2.69Å; K32-E74 PolarHBondContact NZ-OE2 2.95Å
33H90.5Very high91.9Very high141 Ų14160.1 Ų60.165%0.65330%0.301SS*.EExtended strand (participates in β ladder)trans-98.5138.9174-62.9-73.6000112M29 K30 D31 T35M29-H33 CarbonylContact C-O 3.56Å; M29-H33 WeakPolarHBondContact CA-O 3.22Å; K30-H33 PolarHBondContact N-O 3.43Å; K30-H33 WeakPolarHBondContact O-CA 3.33Å; K30-H33 WeakPolarHBondContact O-CB 3.45Å; K30-H33 PolarHBondContact O-N 3.45Å; D31-H33 PolarHBondContact O-CD2 2.74Å; D31-H33 PolarHBondContact O-N 3.3Å; H33-T35 PolarHBondContact O-N 3.11Å
34I94.4Very high91.9Very high39 Ų3961.6 Ų61.620%0.231%0.31CS..EExtended strand (participates in β ladder)trans-72.3119.3174.1-59.4167.3000107.9V27 M29 N36 N37 I40 V81 E84V27-I34 HydrophobicContact CB-CG2 4.15Å; V27-I34 HydrophobicContact CG2-CG1 4.06Å; V27-I34 HydrophobicContact CG2-CG2 4.05Å; M29-I34 HydrophobicContact CE-CG1 4.26Å; M29-I34 HydrophobicContact SD-CB 4.24Å; M29-I34 HydrophobicContact SD-CG1 3.56Å; M29-I34 VanDerWaalsContact SD-CG1 3.56Å; I34-N36 WeakPolarHBondContact CG2-O 3.33Å; I34-N37 HydrophobicContact CG2-CB 4.2Å; I34-I40 HydrophobicContact CD1-CD1 3.78Å; I34-V81 HydrophobicContact CD1-CG2 4.22Å; I34-E84 HydrophobicContact CD1-CB 3.66Å; I34-E84 HydrophobicContact CD1-CG 4.02Å
35T89.4Confident92Very high86 Ų8664.2 Ų64.253%0.52833%0.328SS..SBendtrans-88.5-22.8179.4570000112.9P28 K30 H33P28-T35 WeakPolarHBondContact CB-OG1 3.48Å; P28-T35 WeakPolarHBondContact CG-OG1 3.46Å; P28-T35 PolarHBondContact O-N 3.24Å; P28-T35 PolarHBondContact O-OG1 2.96Å; K30-T35 HydrophobicContact CB-CG2 3.51Å; H33-T35 PolarHBondContact O-N 3.11Å
36N85Confident92Very high65 Ų6564.2 Ų64.235%0.34833%0.328SS..  trans-146.8119173.9-179.7-14.2000109.6P28 I34 Q38P28-N36 HydrophobicContact CG-CB 3.75Å; I34-N36 WeakPolarHBondContact CG2-O 3.33Å; N36-Q38 WeakPolarHBondContact OD1-CB 3.37Å; N36-Q38 PolarHBondContact OD1-N 3.3Å
37N92.1Very high92.2Very high39 Ų3961.6 Ų61.621%0.20931%0.314CS..  trans-94.38.5-178.468.6-0.1000114.6I34 R39 I40 K41 E84I34-N37 HydrophobicContact CG2-CB 4.2Å; N37-R39 VanDerWaalsContact C-N 3.31Å; N37-R39 PolarHBondContact O-N 2.84Å; N37-I40 HydrophobicContact CB-CD1 4.39Å; N37-I40 WeakPolarHBondContact O-CB 3.41Å; N37-I40 PolarHBondContact O-N 3.05Å; N37-K41 WeakPolarHBondContact ND2-CE 3.49Å; N37-K41 PolarHBondContact O-N 3.34Å; N37-K41 VanDerWaalsContact OD1-CE 3.26Å; N37-K41 WeakPolarHBondContact OD1-CE 3.27Å; N37-K41 PolarHBondContact OD1-NZ 3.06Å; N37-E84 HydrophobicContact CB-CG 4.09Å; N37-E84 PolarHBondContact ND2-OE1 2.99Å
38Q86.6Confident92.5Very high76 Ų7664.5 Ų64.536%0.35533%0.327SS..Hα-helixtrans-54.5-42.8-176.3179.6179.212.400113.1N36 I40 K41 A42 E386N36-Q38 WeakPolarHBondContact OD1-CB 3.37Å; N36-Q38 PolarHBondContact OD1-N 3.3Å; Q38-I40 VanDerWaalsContact C-N 3.26Å; Q38-I40 PolarHBondContact O-N 3.16Å; Q38-K41 PolarHBondContact O-N 2.72Å; Q38-A42 WeakPolarHBondContact O-CB 3.46Å; Q38-A42 PolarHBondContact O-N 3.48Å; Q38-E386 PolarHBondContact NE2-OE1 2.82Å; Q38-E386 PolarHBondContact OE1-OE1 3.46Å
39R90.8Very high93Very high84 Ų8463.3 Ų63.332%0.31731%0.314SS..Hα-helixtrans-64.9-31.7178.5-61.8-168.4-177.4-88.1-12.4112.8D24 N26 V27 N37 T394D24-R39 VanDerWaalsContact O-CB 3.24Å; D24-R39 WeakPolarHBondContact O-CB 3.09Å; D24-R39 IonicContact OD2-CZ 3.38Å; D24-R39 IonicContact OD2-NH1 2.74Å; D24-R39 PolarHBondContact OD2-NH1 3.26Å; N26-R39 WeakPolarHBondContact O-CD 3.38Å; N26-R39 PolarHBondContact O-NE 3.39Å; V27-R39 HydrophobicContact CG1-CB 4.05Å; N37-R39 VanDerWaalsContact C-N 3.31Å; N37-R39 PolarHBondContact O-N 2.84Å; R39-T394 PolarHBondContact NH1-O 3.44Å
40I95.7Very high93.4Very high0 Ų060.5 Ų60.50%030%0.3CS..Hα-helixtrans-71.9-48.9177.4-54.2167.1000109.2F25 V27 I34 N37 Q38 A42 A43 V81 E84 L85 L88F25-I40 HydrophobicContact CD1-CB 4.4Å; F25-I40 HydrophobicContact CD1-CG1 4.02Å; F25-I40 HydrophobicContact CE1-CB 4.24Å; F25-I40 HydrophobicContact CE1-CG1 4.33Å; F25-I40 HydrophobicContact CE1-CG2 4.06Å; F25-I40 HydrophobicContact CG-CG1 4.48Å; F25-I40 HydrophobicContact CZ-CG2 4.25Å; V27-I40 HydrophobicContact CG1-CD1 4.01Å; V27-I40 HydrophobicContact CG1-CG1 3.84Å; I34-I40 HydrophobicContact CD1-CD1 3.78Å; N37-I40 HydrophobicContact CB-CD1 4.39Å; N37-I40 WeakPolarHBondContact O-CB 3.41Å; N37-I40 PolarHBondContact O-N 3.05Å; Q38-I40 VanDerWaalsContact C-N 3.26Å; Q38-I40 PolarHBondContact O-N 3.16Å; I40-A42 PolarHBondContact O-N 3.41Å; I40-A43 PolarHBondContact O-N 3.04Å; I40-A43 VanDerWaalsContact O-N 3.15Å; I40-V81 HydrophobicContact CD1-CB 4.48Å; I40-V81 HydrophobicContact CD1-CG1 3.84Å; I40-V81 HydrophobicContact CD1-CG2 4.41Å; I40-V81 HydrophobicContact CG1-CG1 4.07Å; I40-E84 HydrophobicContact CD1-CB 4.1Å; I40-E84 HydrophobicContact CD1-CG 3.74Å; I40-L85 HydrophobicContact CG2-CB 4.14Å; I40-L85 HydrophobicContact CG2-CD1 3.82Å; I40-L88 HydrophobicContact CB-CD1 4.11Å; I40-L88 HydrophobicContact CG2-CD1 3.67Å
41K93.9Very high93.8Very high110 Ų11054.9 Ų54.948%0.47828%0.277SS..Hα-helixtrans-54.9-39.5174.6-72.2178.2174.4166.90112.4N37 Q38 A43 V44 P45 L88N37-K41 WeakPolarHBondContact ND2-CE 3.49Å; N37-K41 PolarHBondContact O-N 3.34Å; N37-K41 VanDerWaalsContact OD1-CE 3.26Å; N37-K41 WeakPolarHBondContact OD1-CE 3.27Å; N37-K41 PolarHBondContact OD1-NZ 3.06Å; Q38-K41 PolarHBondContact O-N 2.72Å; K41-A43 VanDerWaalsContact C-N 3.26Å; K41-A43 PolarHBondContact O-N 3.23Å; K41-V44 WeakPolarHBondContact O-CB 3.26Å; K41-V44 PolarHBondContact O-N 3.46Å; K41-P45 WeakPolarHBondContact O-CD 3.45Å; K41-L88 HydrophobicContact CG-CD1 3.76Å; K41-L88 HydrophobicContact CG-CD2 3.92Å
42A92.3Very high94.3Very high36 Ų3654.3 Ų54.330%0.29827%0.274SS..Hα-helixtrans-66.4-23.7-177.500000113.9Q38 I40 L189Q38-A42 WeakPolarHBondContact O-CB 3.46Å; Q38-A42 PolarHBondContact O-N 3.48Å; I40-A42 PolarHBondContact O-N 3.41Å; A42-L189 HydrophobicContact CB-CD1 3.75Å
43A97.2Very high94.9Very high2 Ų255.8 Ų55.82%0.01728%0.276CS..Hα-helixtrans-87.6-18.4176.300000113.5V23 F25 I40 K41 P45 S46 I47V23-A43 HydrophobicContact CB-CB 4.14Å; V23-A43 HydrophobicContact CG1-CB 3.91Å; F25-A43 HydrophobicContact CE1-CB 3.71Å; F25-A43 HydrophobicContact CZ-CB 4.23Å; I40-A43 PolarHBondContact O-N 3.04Å; I40-A43 VanDerWaalsContact O-N 3.15Å; K41-A43 VanDerWaalsContact C-N 3.26Å; K41-A43 PolarHBondContact O-N 3.23Å; A43-P45 VanDerWaalsContact C-CD 3.45Å; A43-P45 VanDerWaalsContact C-N 3.35Å; A43-S46 PolarHBondContact O-N 3.44Å; A43-S46 VanDerWaalsContact O-N 3.16Å; A43-I47 HydrophobicContact CB-CD1 4.27Å; A43-I47 WeakPolarHBondContact O-CG1 3.36Å; A43-I47 PolarHBondContact O-N 3.47Å
44V98.2Very high95.3Very high30 Ų3050.7 Ų50.718%0.18226%0.262CS..Hα-helixtrans-53.1-43.1-177.8169.60000112.9K41 S46 I47 Q48 L85 L88 L89K41-V44 WeakPolarHBondContact O-CB 3.26Å; K41-V44 PolarHBondContact O-N 3.46Å; V44-S46 VanDerWaalsContact C-N 3.32Å; V44-S46 PolarHBondContact O-N 3.11Å; V44-I47 PolarHBondContact O-N 3.43Å; V44-Q48 WeakPolarHBondContact O-CB 3.26Å; V44-Q48 PolarHBondContact O-N 3.37Å; V44-L85 HydrophobicContact CG2-CD1 4.3Å; V44-L88 HydrophobicContact CG2-CB 4.26Å; V44-L89 HydrophobicContact CB-CD2 4.48Å; V44-L89 HydrophobicContact CG1-CD2 3.88Å; V44-L89 HydrophobicContact CG2-CD2 4.21Å
45P98.3Very high95.5Very high68 Ų6848.9 Ų48.944%0.44225%0.253SS..Hα-helixtrans-56.9-42.1178.9-27.536.5000113.7K41 A43 Y49 F188K41-P45 WeakPolarHBondContact O-CD 3.45Å; A43-P45 VanDerWaalsContact C-CD 3.45Å; A43-P45 VanDerWaalsContact C-N 3.35Å; P45-Y49 VanDerWaalsContact O-CB 3.29Å; P45-Y49 WeakPolarHBondContact O-CB 3.44Å; P45-Y49 PolarHBondContact O-N 3.03Å; P45-F188 HydrophobicContact CB-CD2 4.1Å
46S98.8Very high95.9Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-67.9-41.5178.4-61.10000111.4A43 V44 C50 D164 F188A43-S46 PolarHBondContact O-N 3.44Å; A43-S46 VanDerWaalsContact O-N 3.16Å; V44-S46 VanDerWaalsContact C-N 3.32Å; V44-S46 PolarHBondContact O-N 3.11Å; S46-C50 PolarHBondContact O-N 3.17Å; S46-C50 PolarHBondContact O-SG 2.7Å; S46-C50 VanDerWaalsContact O-SG 3.4Å; S46-D164 VanDerWaalsContact CB-OD2 3.24Å; S46-D164 WeakPolarHBondContact CB-OD2 3.44Å; S46-D164 PolarHBondContact OG-OD2 2.95Å; S46-F188 PolarHBondContact OG-N 2.81Å
47I98.8Very high96.6Very high0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-64.1-51.1178.5-61.6167.4000110.2M21 F25 A43 V44 Y49 C50 L51 V58 L60 L85 L89M21-I47 HydrophobicContact SD-CG1 4.11Å; F25-I47 HydrophobicContact CZ-CD1 4.47Å; A43-I47 HydrophobicContact CB-CD1 4.27Å; A43-I47 WeakPolarHBondContact O-CG1 3.36Å; A43-I47 PolarHBondContact O-N 3.47Å; V44-I47 PolarHBondContact O-N 3.43Å; I47-Y49 VanDerWaalsContact C-N 3.32Å; I47-Y49 PolarHBondContact O-N 2.82Å; I47-C50 WeakPolarHBondContact O-CB 3.48Å; I47-C50 PolarHBondContact O-N 2.79Å; I47-L51 HydrophobicContact CG2-CD1 4.23Å; I47-L51 WeakPolarHBondContact O-CG 3.43Å; I47-L51 PolarHBondContact O-N 3.21Å; I47-L51 VanDerWaalsContact O-N 3.17Å; I47-V58 HydrophobicContact CG2-CG1 4.39Å; I47-L60 HydrophobicContact CD1-CD1 3.8Å; I47-L60 HydrophobicContact CD1-CD2 3.91Å; I47-L60 HydrophobicContact CG1-CD1 4.49Å; I47-L60 HydrophobicContact CG1-CD2 3.9Å; I47-L85 HydrophobicContact CD1-CD1 4.04Å; I47-L85 HydrophobicContact CD1-CD2 4.36Å; I47-L89 HydrophobicContact CG2-CD1 3.96Å; I47-L89 HydrophobicContact CG2-CD2 4.12Å
48Q98.6Very high96.9Very high66 Ų6642.8 Ų42.831%0.30821%0.214SC..Hα-helixtrans-61.8-41.2-178.3-168.961.85200111.2V44 C50 L51 D52V44-Q48 WeakPolarHBondContact O-CB 3.26Å; V44-Q48 PolarHBondContact O-N 3.37Å; Q48-C50 VanDerWaalsContact C-N 3.35Å; Q48-C50 PolarHBondContact O-N 3.48Å; Q48-L51 WeakPolarHBondContact O-CB 3.5Å; Q48-L51 PolarHBondContact O-N 3.25Å; Q48-L51 VanDerWaalsContact O-N 3.11Å; Q48-D52 PolarHBondContact NE2-OD1 3.15Å; Q48-D52 WeakPolarHBondContact O-CB 3.32Å; Q48-D52 PolarHBondContact O-N 2.83Å
49Y98.7Very high97.5Very high41 Ų4139.1 Ų39.116%0.16120%0.197CC..Hα-helixtrans-59.7-42.7176.5-178.7-89.7000113L9 P45 I47 L51 D52 R53 F188L9-Y49 HydrophobicContact CD1-CD1 4.39Å; L9-Y49 HydrophobicContact CD2-CD1 3.93Å; L9-Y49 HydrophobicContact CG-CD1 3.75Å; L9-Y49 HydrophobicContact CG-CE1 4.01Å; P45-Y49 VanDerWaalsContact O-CB 3.29Å; P45-Y49 WeakPolarHBondContact O-CB 3.44Å; P45-Y49 PolarHBondContact O-N 3.03Å; I47-Y49 VanDerWaalsContact C-N 3.32Å; I47-Y49 PolarHBondContact O-N 2.82Å; Y49-L51 VanDerWaalsContact C-N 3.32Å; Y49-L51 PolarHBondContact O-N 3.18Å; Y49-D52 PolarHBondContact O-N 2.81Å; Y49-R53 HydrophobicContact CD1-CG 4.24Å; Y49-R53 HydrophobicContact CD2-CG 4.5Å; Y49-R53 HydrophobicContact CE1-CG 3.94Å; Y49-R53 HydrophobicContact CE2-CG 4.21Å; Y49-R53 WeakPolarHBondContact O-CB 3.38Å; Y49-R53 WeakPolarHBondContact O-CG 3.26Å; Y49-R53 PolarHBondContact O-N 3.31Å; Y49-F188 HydrophobicContact CD1-CE2 4.33Å; Y49-F188 HydrophobicContact CD1-CZ 4.16Å; Y49-F188 AromaticContact CD2-CE2 3.88Å; Y49-F188 HydrophobicContact CD2-CE2 3.88Å; Y49-F188 AromaticContact CD2-CZ 3.67Å; Y49-F188 HydrophobicContact CD2-CZ 3.67Å; Y49-F188 HydrophobicContact CE2-CZ 4.05Å; Y49-F188 AromaticContact CG-CE2 3.67Å; Y49-F188 HydrophobicContact CG-CE2 3.67Å; Y49-F188 AromaticContact CG-CZ 3.73Å; Y49-F188 HydrophobicContact CG-CZ 3.73Å
50C98.8Very high97.9Very high0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-60-44.4174.5-69.50000111.6S46 I47 Q48 R53 G54 A55 V58S46-C50 PolarHBondContact O-N 3.17Å; S46-C50 PolarHBondContact O-SG 2.7Å; S46-C50 VanDerWaalsContact O-SG 3.4Å; I47-C50 WeakPolarHBondContact O-CB 3.48Å; I47-C50 PolarHBondContact O-N 2.79Å; Q48-C50 VanDerWaalsContact C-N 3.35Å; Q48-C50 PolarHBondContact O-N 3.48Å; C50-R53 PolarHBondContact O-N 3.04Å; C50-G54 PolarHBondContact O-N 2.81Å; C50-A55 HydrophobicContact CB-CB 4.04Å; C50-A55 WeakPolarHBondContact O-CB 3.3Å; C50-A55 PolarHBondContact O-N 2.97Å; C50-V58 HydrophobicContact CB-CG2 3.56Å
51L98.5Very high98Very high22 Ų2235.1 Ų35.112%0.11518%0.182CC..Hα-helixtrans-64.4-47.2179.4-63.8175.3000111.9I47 Q48 Y49 R53 G54 V58 K91 G114 V116I47-L51 HydrophobicContact CG2-CD1 4.23Å; I47-L51 WeakPolarHBondContact O-CG 3.43Å; I47-L51 PolarHBondContact O-N 3.21Å; I47-L51 VanDerWaalsContact O-N 3.17Å; Q48-L51 WeakPolarHBondContact O-CB 3.5Å; Q48-L51 PolarHBondContact O-N 3.25Å; Q48-L51 VanDerWaalsContact O-N 3.11Å; Y49-L51 VanDerWaalsContact C-N 3.32Å; Y49-L51 PolarHBondContact O-N 3.18Å; L51-R53 PolarHBondContact O-N 2.92Å; L51-G54 PolarHBondContact O-N 2.79Å; L51-V58 HydrophobicContact CD2-CG2 3.99Å; L51-V58 HydrophobicContact CG-CG2 4.31Å; L51-K91 HydrophobicContact CD1-CD 4.13Å; L51-G114 WeakPolarHBondContact CD2-O 3.38Å; L51-V116 HydrophobicContact CD1-CG2 3.88Å; L51-V116 HydrophobicContact CD2-CG2 3.99Å; L51-V116 HydrophobicContact CG-CG2 4.46Å
52D98.3Very high98.3Very high118 Ų11829.9 Ų29.963%0.63116%0.159SC*.Hα-helixtrans-64.7-28.1-179.1-66.6-13.4000112.3Q48 Y49 G54Q48-D52 PolarHBondContact NE2-OD1 3.15Å; Q48-D52 WeakPolarHBondContact O-CB 3.32Å; Q48-D52 PolarHBondContact O-N 2.83Å; Y49-D52 PolarHBondContact O-N 2.81Å; D52-G54 VanDerWaalsContact C-N 3.29Å
53R98.4Very high98.6Very high148 Ų14828.5 Ų28.556%0.55815%0.146SC*.THydrogen-bonded Turntrans-89.210.7176.3-65.5-65.2-171.4141.43.1113.7V14 N15 Y49 C50 L51V14-R53 HydrophobicContact CG2-CB 3.43Å; V14-R53 VanDerWaalsContact CG2-CB 3.43Å; V14-R53 HydrophobicContact CG2-CG 4.4Å; N15-R53 WeakPolarHBondContact CA-O 3.39Å; N15-R53 WeakPolarHBondContact CB-O 3.47Å; Y49-R53 HydrophobicContact CD1-CG 4.24Å; Y49-R53 HydrophobicContact CD2-CG 4.5Å; Y49-R53 HydrophobicContact CE1-CG 3.94Å; Y49-R53 HydrophobicContact CE2-CG 4.21Å; Y49-R53 WeakPolarHBondContact O-CB 3.38Å; Y49-R53 WeakPolarHBondContact O-CG 3.26Å; Y49-R53 PolarHBondContact O-N 3.31Å; C50-R53 PolarHBondContact O-N 3.04Å; L51-R53 PolarHBondContact O-N 2.92Å
54G98.4Very high98.6Very high34 Ų3428.6 Ų28.635%0.35115%0.147SC..THydrogen-bonded Turntrans80.325.2171.800000114.5N15 G16 C50 L51 D52 K56N15-G54 PolarHBondContact OD1-O 2.74Å; G16-G54 PolarHBondContact N-O 3.41Å; C50-G54 PolarHBondContact O-N 2.81Å; L51-G54 PolarHBondContact O-N 2.79Å; D52-G54 VanDerWaalsContact C-N 3.29Å; G54-K56 PolarHBondContact O-N 2.93Å
55A98.7Very high98.5Very high2 Ų228 Ų282%0.01715%0.147CC..  trans-54.6134.517200000111V14 K17 V19 C50 S57 V58 G114V14-A55 HydrophobicContact CB-CB 4.43Å; V14-A55 VanDerWaalsContact O-CA 3.27Å; V14-A55 WeakPolarHBondContact O-CA 3.25Å; K17-A55 CarbonylContact O-C 3.47Å; V19-A55 HydrophobicContact CG2-CB 4.14Å; C50-A55 HydrophobicContact CB-CB 4.04Å; C50-A55 WeakPolarHBondContact O-CB 3.3Å; C50-A55 PolarHBondContact O-N 2.97Å; A55-S57 VanDerWaalsContact C-N 3.28Å; A55-S57 PolarHBondContact O-N 3.26Å; A55-V58 HydrophobicContact CB-CG2 4.47Å; A55-G114 PolarHBondContact O-N 2.58Å
56K98.7Very high98.4Very high61 Ų6133.8 Ų33.827%0.26516%0.16SC..SBendtrans-61.7-41.7174.8-177.7174.4-179.1-179.40110.2G16 K17 R18 G54 S110 P111 A113 G114 S115G16-K56 WeakPolarHBondContact O-CB 3.4Å; K17-K56 PolarHBondContact O-N 2.97Å; R18-K56 HydrophobicContact CG-CB 4.49Å; R18-K56 HydrophobicContact CG-CD 4.34Å; G54-K56 PolarHBondContact O-N 2.93Å; K56-S110 PolarHBondContact NZ-OG 2.97Å; K56-P111 WeakPolarHBondContact CE-O 3.23Å; K56-A113 CarbonylContact O-C 3.58Å; K56-A113 WeakPolarHBondContact O-CA 3.39Å; K56-G114 PolarHBondContact O-N 3.17Å; K56-S115 PolarHBondContact O-N 3.22Å
57S98.8Very high98.3Very high0 Ų033.8 Ų33.80%016%0.16CC..EExtended strand (participates in β ladder)trans-154.9159171.955.90000112.5K17 V19 A55 P111 S115K17-S57 PolarHBondContact O-N 2.99Å; V19-S57 PolarHBondContact N-O 2.83Å; A55-S57 VanDerWaalsContact C-N 3.28Å; A55-S57 PolarHBondContact O-N 3.26Å; S57-P111 VanDerWaalsContact CB-CG 3.44Å; S57-P111 WeakPolarHBondContact OG-CG 3.4Å; S57-S115 CarbonylContact C-O 3.47Å; S57-S115 VanDerWaalsContact CA-O 3.23Å; S57-S115 WeakPolarHBondContact CA-O 3.5Å
58V98.9Very high98.2Very high0 Ų036 Ų360%017%0.172CC..EExtended strand (participates in β ladder)trans-119.5109.1167.9-173.60000108.1V19 M21 I47 C50 L51 A55 L60 S115 V116 I117V19-V58 CarbonylContact O-C 3.48Å; V19-V58 WeakPolarHBondContact O-CA 3.45Å; M21-V58 HydrophobicContact CE-CG1 4.28Å; I47-V58 HydrophobicContact CG2-CG1 4.39Å; C50-V58 HydrophobicContact CB-CG2 3.56Å; L51-V58 HydrophobicContact CD2-CG2 3.99Å; L51-V58 HydrophobicContact CG-CG2 4.31Å; A55-V58 HydrophobicContact CB-CG2 4.47Å; V58-L60 HydrophobicContact CG1-CD2 3.87Å; V58-L60 HydrophobicContact CG1-CG 4.32Å; V58-S115 PolarHBondContact N-O 2.9Å; V58-V116 WeakPolarHBondContact O-CA 3.26Å; V58-I117 PolarHBondContact O-N 3.36Å
59V98.9Very high98.1Very high0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-98.3110.8177.6-176.60000108.6V19 I20 M21 C108 I117 L119 L157V19-V59 PolarHBondContact O-N 2.93Å; I20-V59 CarbonylContact C-O 3.44Å; I20-V59 WeakPolarHBondContact CA-O 3.48Å; M21-V59 PolarHBondContact N-O 2.94Å; V59-C108 HydrophobicContact CG2-CB 4.36Å; V59-I117 CarbonylContact C-O 3.52Å; V59-I117 HydrophobicContact CG2-CB 4.46Å; V59-I117 HydrophobicContact CG2-CD1 4.28Å; V59-L119 HydrophobicContact CG1-CD1 3.95Å; V59-L119 HydrophobicContact CG1-CD2 3.98Å; V59-L119 HydrophobicContact CG1-CG 3.91Å; V59-L157 HydrophobicContact CG1-CB 4.33Å; V59-L157 HydrophobicContact CG1-CD1 4.48Å
60L98.9Very high98Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-94.4128-177.6-57.8170.6000109.8M21 V23 F25 I47 V58 L85 V116 I117 L118 L119M21-L60 HydrophobicContact CB-CD2 4.09Å; M21-L60 HydrophobicContact CG-CD2 4.39Å; M21-L60 WeakPolarHBondContact O-CA 3.21Å; M21-L60 HydrophobicContact SD-CD2 4.11Å; V23-L60 HydrophobicContact CG1-CD2 3.85Å; V23-L60 HydrophobicContact CG2-CB 4.39Å; V23-L60 HydrophobicContact CG2-CD2 4.34Å; F25-L60 HydrophobicContact CE2-CD1 4.24Å; F25-L60 HydrophobicContact CZ-CD1 4.48Å; I47-L60 HydrophobicContact CD1-CD1 3.8Å; I47-L60 HydrophobicContact CD1-CD2 3.91Å; I47-L60 HydrophobicContact CG1-CD1 4.49Å; I47-L60 HydrophobicContact CG1-CD2 3.9Å; V58-L60 HydrophobicContact CG1-CD2 3.87Å; V58-L60 HydrophobicContact CG1-CG 4.32Å; L60-L85 HydrophobicContact CD1-CD2 3.32Å; L60-V116 HydrophobicContact CD1-CG1 4Å; L60-I117 PolarHBondContact N-O 3.05Å; L60-L118 HydrophobicContact CB-CD1 3.75Å; L60-L119 WeakPolarHBondContact O-CG 3.4Å; L60-L119 PolarHBondContact O-N 2.89Å
61M98.9Very high97.9Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-120.2137.6171.558.2175.6171.300110.1I20 M21 R22 V23 L119 L122 L154 Y161 V179I20-M61 HydrophobicContact CD1-CE 3.66Å; I20-M61 HydrophobicContact CD1-SD 3.74Å; I20-M61 HydrophobicContact CG1-CE 3.82Å; I20-M61 HydrophobicContact CG1-CG 4.45Å; I20-M61 HydrophobicContact CG1-SD 4.16Å; M21-M61 PolarHBondContact O-N 2.93Å; R22-M61 HydrophobicContact CB-CE 3.8Å; R22-M61 HydrophobicContact CB-CG 4.17Å; R22-M61 WeakPolarHBondContact CD-O 3.48Å; V23-M61 PolarHBondContact N-O 3.08Å; M61-L119 HydrophobicContact CB-CD1 4.04Å; M61-L122 HydrophobicContact CB-CD1 3.96Å; M61-L122 HydrophobicContact CB-CD2 4.16Å; M61-L122 HydrophobicContact CB-CG 4.2Å; M61-L122 HydrophobicContact CG-CD1 4.18Å; M61-L122 HydrophobicContact SD-CD1 4.27Å; M61-L122 HydrophobicContact SD-CD2 4.3Å; M61-L154 HydrophobicContact SD-CD1 4.31Å; M61-L154 HydrophobicContact SD-CD2 4.1Å; M61-Y161 HydrophobicContact CE-CD2 4.05Å; M61-Y161 HydrophobicContact CE-CE2 3.54Å; M61-V179 HydrophobicContact CE-CG2 3.87Å
62S98.8Very high97.8Very high0 Ų039.3 Ų39.30%021%0.209CC..  trans-146.9177.8179-169.80000113.9R22 V23 F25 L122R22-S62 VanDerWaalsContact CZ-CA 3.48Å; R22-S62 PolarHBondContact NH1-OG 3.14Å; V23-S62 WeakPolarHBondContact O-CB 3.32Å; V23-S62 PolarHBondContact O-OG 3.42Å; V23-S62 VanDerWaalsContact O-OG 3.11Å; F25-S62 WeakPolarHBondContact CA-OG 3.48Å; F25-S62 WeakPolarHBondContact CB-OG 3.4Å; F25-S62 PolarHBondContact N-OG 3.5Å; S62-L122 WeakPolarHBondContact O-CB 3.28Å; S62-L122 WeakPolarHBondContact O-CD1 3.08Å; S62-L122 VanDerWaalsContact O-CG 3.23Å; S62-L122 WeakPolarHBondContact O-CG 3.37Å; S62-L122 PolarHBondContact O-N 3.03Å
63H98.6Very high97.6Very high6 Ų637 Ų373%0.02820%0.2CC..  trans-123.5157.6166.677.4-92000109.5R22 N121 R123R22-H63 PolarHBondContact NH2-ND1 2.99Å; H63-N121 VanDerWaalsContact CA-OD1 3.29Å; H63-N121 WeakPolarHBondContact CA-OD1 3.4Å; H63-R123 HydrophobicContact CB-CB 4.44Å; H63-R123 HydrophobicContact CB-CG 3.8Å; H63-R123 PolarHBondContact CD2-NH1 3.36Å; H63-R123 PolarHBondContact NE2-NH1 3.44Å; H63-R123 VanDerWaalsContact NE2-NH1 3.11Å; H63-R123 PolarHBondContact NE2-NH2 2.92Å
64L97.9Very high97.4Very high4 Ų436.6 Ų36.62%0.02121%0.205CC..  trans-138.7129.9170.6-176.964.4000109.6V27 M29 S77 L78 N121V27-L64 HydrophobicContact CG2-CD1 4.3Å; V27-L64 WeakPolarHBondContact O-CD1 3.39Å; M29-L64 HydrophobicContact CG-CD1 4.22Å; M29-L64 HydrophobicContact CG-CD2 4.19Å; L64-S77 WeakPolarHBondContact CD2-O 3.5Å; L64-L78 HydrophobicContact CB-CD2 3.93Å; L64-L78 HydrophobicContact CB-CG 4.45Å; L64-L78 HydrophobicContact CD2-CD2 4.45Å; L64-N121 PolarHBondContact N-ND2 3.47Å; L64-N121 PolarHBondContact N-OD1 2.91Å; L64-N121 PolarHBondContact O-ND2 3.24Å
65G95.9Very high97.2Very high19 Ų1941.6 Ų41.620%0.19622%0.217CC..SBendtrans61.2-149.6177.600000114.4N26 R123N26-G65 PolarHBondContact OD1-N 3.45Å; G65-R123 PolarHBondContact O-NH1 3.18Å; G65-R123 VanDerWaalsContact O-NH1 3.08Å
66R95.9Very high97.1Very high188 Ų18843.8 Ų43.871%0.70923%0.225SC*.  trans-133.177.3-177.3-61.5-176.2-173.4-1792.5110.2D68R66-D68 PolarHBondContact O-N 2.85Å
67P96.6Very high97.1Very high0 Ų041.5 Ų41.50%022%0.217CC..  trans-76-5.8173.729.2-34.6000113.8G69 N70 M72 Y76 R123 F124P67-G69 PolarHBondContact O-N 3.23Å; P67-G69 VanDerWaalsContact O-N 3.16Å; P67-N70 WeakPolarHBondContact CB-O 3.47Å; P67-N70 PolarHBondContact O-N 3.14Å; P67-N70 VanDerWaalsContact O-N 3.08Å; P67-N70 PolarHBondContact O-ND2 2.63Å; P67-M72 HydrophobicContact CB-CB 4.44Å; P67-M72 HydrophobicContact CB-CG 4.35Å; P67-M72 HydrophobicContact CB-SD 4.33Å; P67-Y76 HydrophobicContact CB-CD2 3.97Å; P67-R123 HydrophobicContact CG-CB 3.5Å; P67-R123 VanDerWaalsContact CG-CB 3.5Å; P67-R123 WeakPolarHBondContact CG-O 3.38Å; P67-F124 HydrophobicContact CB-CD1 3.63Å; P67-F124 HydrophobicContact CB-CE1 3.8Å; P67-F124 HydrophobicContact CG-CD1 3.73Å; P67-F124 HydrophobicContact CG-CE1 4.04Å
68D96.3Very high97.1Very high47 Ų4741.5 Ų41.525%0.25122%0.217SC..THydrogen-bonded Turntrans5334.5175.3-68-11.9000114.1R66 N70 G132 K133R66-D68 PolarHBondContact O-N 2.85Å; D68-N70 PolarHBondContact O-ND2 2.89Å; D68-G132 CarbonylContact O-C 3.58Å; D68-G132 VanDerWaalsContact O-CA 3.23Å; D68-G132 WeakPolarHBondContact O-CA 3.49Å; D68-K133 HydrophobicContact CB-CB 4.18Å; D68-K133 PolarHBondContact O-N 3.44Å
69G97Very high97.1Very high18 Ų1847 Ų4719%0.18624%0.242CC..THydrogen-bonded Turntrans84.517.1179.100000115.1P67 R123 F124P67-G69 PolarHBondContact O-N 3.23Å; P67-G69 VanDerWaalsContact O-N 3.16Å; G69-R123 VanDerWaalsContact CA-O 3.22Å; G69-R123 WeakPolarHBondContact CA-O 3.24Å; G69-R123 PolarHBondContact N-O 3.34Å; G69-F124 CarbonylContact C-O 3.58Å; G69-F124 VanDerWaalsContact O-O 3.05Å
70N96.3Very high97Very high31 Ų3149 Ų4917%0.16626%0.255CS..SBendtrans-116.1142.2176.4-52.9-85.3000111.1P67 D68 M72 F124 K133 P135P67-N70 WeakPolarHBondContact CB-O 3.47Å; P67-N70 PolarHBondContact O-N 3.14Å; P67-N70 VanDerWaalsContact O-N 3.08Å; P67-N70 PolarHBondContact O-ND2 2.63Å; D68-N70 PolarHBondContact O-ND2 2.89Å; N70-M72 HydrophobicContact CB-CE 4.05Å; N70-M72 HydrophobicContact CB-CG 4.39Å; N70-M72 PolarHBondContact O-N 3.27Å; N70-M72 VanDerWaalsContact O-N 3.12Å; N70-F124 VanDerWaalsContact O-CD1 3.23Å; N70-F124 WeakPolarHBondContact O-CD1 3.42Å; N70-K133 PolarHBondContact ND2-O 3.22Å; N70-K133 PolarHBondContact OD1-O 3.22Å; N70-P135 WeakPolarHBondContact OD1-CD 3.41Å
71A96.5Very high97Very high80 Ų8049 Ų4966%0.66126%0.255SS*.  trans-65112.517000000110.4P73 F124A71-P73 VanDerWaalsContact C-CD 3.41Å; A71-F124 HydrophobicContact CB-CD2 4.47Å
72M96.1Very high97Very high70 Ų7049.4 Ų49.435%0.34526%0.259SS..  trans-12858.6178.3-63.7-169.7-178.500111.1P67 N70 E74 K75 Y76 F124P67-M72 HydrophobicContact CB-CB 4.44Å; P67-M72 HydrophobicContact CB-CG 4.35Å; P67-M72 HydrophobicContact CB-SD 4.33Å; N70-M72 HydrophobicContact CB-CE 4.05Å; N70-M72 HydrophobicContact CB-CG 4.39Å; N70-M72 PolarHBondContact O-N 3.27Å; N70-M72 VanDerWaalsContact O-N 3.12Å; M72-E74 PolarHBondContact O-N 3.14Å; M72-K75 PolarHBondContact O-N 3.04Å; M72-Y76 HydrophobicContact CB-CD2 4.08Å; M72-Y76 PolarHBondContact O-N 3.37Å; M72-Y76 HydrophobicContact SD-CD2 4.02Å; M72-Y76 HydrophobicContact SD-CE2 3.99Å; M72-F124 VanDerWaalsContact C-CZ 3.41Å; M72-F124 HydrophobicContact CB-CE1 4.07Å; M72-F124 HydrophobicContact CB-CZ 4.49Å; M72-F124 WeakPolarHBondContact O-CZ 2.89Å
73P95.4Very high96.9Very high70 Ų7052.2 Ų52.246%0.45528%0.282SS..Hα-helixtrans-59.8-34.8-172.424.3-34.4000112.3A71 K75 S77A71-P73 VanDerWaalsContact C-CD 3.41Å; P73-K75 PolarHBondContact O-N 3.21Å; P73-K75 VanDerWaalsContact O-N 3.14Å; P73-S77 WeakPolarHBondContact O-CB 3.29Å; P73-S77 PolarHBondContact O-N 3.21Å
74E94Very high96.9Very high139 Ų13954.1 Ų54.165%0.6529%0.291SS*.Hα-helixtrans-66.1-16.6178.9-66-58.4154.900114.8K32 M72K32-E74 WeakPolarHBondContact CE-O 3.26Å; K32-E74 IonicContact NZ-OE2 2.69Å; K32-E74 PolarHBondContact NZ-OE2 2.95Å; M72-E74 PolarHBondContact O-N 3.14Å
75K94.5Very high96.9Very high138 Ų13854 Ų5460%0.629%0.29SS*.Hα-helixtrans-120.6-37.1-175.4-170.6173.9-179177.50113.6M72 P73M72-K75 PolarHBondContact O-N 3.04Å; P73-K75 PolarHBondContact O-N 3.21Å; P73-K75 VanDerWaalsContact O-N 3.14Å
76Y96.9Very high97Very high49 Ų4957.7 Ų57.719%0.19230%0.301CS..Hα-helixtrans-131.522.8-169.6-60-54.6000112.8P67 M72 N121P67-Y76 HydrophobicContact CB-CD2 3.97Å; M72-Y76 HydrophobicContact CB-CD2 4.08Å; M72-Y76 PolarHBondContact O-N 3.37Å; M72-Y76 HydrophobicContact SD-CD2 4.02Å; M72-Y76 HydrophobicContact SD-CE2 3.99Å; Y76-N121 PolarHBondContact O-ND2 3.3Å
77S98.1Very high97.1Very high13 Ų1353.8 Ų53.89%0.09130%0.298CS..  trans-65.7146.5171-179.20000111.5L64 P73 E79 E120L64-S77 WeakPolarHBondContact CD2-O 3.5Å; P73-S77 WeakPolarHBondContact O-CB 3.29Å; P73-S77 PolarHBondContact O-N 3.21Å; S77-E79 VanDerWaalsContact C-N 3.32Å; S77-E79 PolarHBondContact OG-N 3.2Å; S77-E79 VanDerWaalsContact OG-N 3.14Å; S77-E120 WeakPolarHBondContact CA-OE1 3.38Å; S77-E120 VanDerWaalsContact CB-OE2 3.28Å; S77-E120 WeakPolarHBondContact CB-OE2 3.17Å; S77-E120 PolarHBondContact OG-OE1 3.21Å; S77-E120 PolarHBondContact OG-OE2 3.44Å
78L98.6Very high97.2Very high0 Ų056.5 Ų56.50%031%0.312CS..SBendtrans-85.12.3171.9-74.2171.4000113.6F25 L64 V81 A82 F95 L118 E120 N121F25-L78 HydrophobicContact CB-CD2 4.22Å; L64-L78 HydrophobicContact CB-CD2 3.93Å; L64-L78 HydrophobicContact CB-CG 4.45Å; L64-L78 HydrophobicContact CD2-CD2 4.45Å; L78-V81 HydrophobicContact CD2-CB 4.21Å; L78-V81 HydrophobicContact CD2-CG2 3.84Å; L78-V81 WeakPolarHBondContact O-CA 3.42Å; L78-V81 VanDerWaalsContact O-CB 3.25Å; L78-V81 WeakPolarHBondContact O-CB 3.06Å; L78-V81 PolarHBondContact O-N 3.16Å; L78-A82 PolarHBondContact O-N 3.4Å; L78-A82 VanDerWaalsContact O-N 3.08Å; L78-F95 HydrophobicContact CB-CE2 3.9Å; L78-F95 HydrophobicContact CB-CZ 4.4Å; L78-L118 HydrophobicContact CB-CD2 4.18Å; L78-E120 PolarHBondContact N-OE1 2.8Å; L78-N121 HydrophobicContact CD1-CB 4.42Å; L78-N121 HydrophobicContact CG-CB 4.45Å
79E98.2Very high97.3Very high114 Ų11455.2 Ų55.253%0.53331%0.305SS..Hα-helixtrans-53.9-43.9178.6-175.1174-147.100113.7S77 V81 A82 A83 F95S77-E79 VanDerWaalsContact C-N 3.32Å; S77-E79 PolarHBondContact OG-N 3.2Å; S77-E79 VanDerWaalsContact OG-N 3.14Å; E79-V81 PolarHBondContact O-N 2.95Å; E79-A82 WeakPolarHBondContact O-CB 3.24Å; E79-A82 PolarHBondContact O-N 2.57Å; E79-A82 VanDerWaalsContact O-N 3.11Å; E79-A83 PolarHBondContact O-N 2.85Å; E79-F95 HydrophobicContact CB-CD1 3.99Å; E79-F95 HydrophobicContact CB-CE1 3.64Å; E79-F95 HydrophobicContact CB-CZ 3.98Å; E79-F95 HydrophobicContact CG-CD1 4.12Å; E79-F95 HydrophobicContact CG-CE1 4.23Å
80P98Very high97.3Very high42 Ų4258 Ų5827%0.27333%0.334SS..Hα-helixtrans-61.7-30.6175-22.835.1000113.1M29 A83 E84M29-P80 HydrophobicContact CE-CB 4Å; M29-P80 HydrophobicContact CE-CG 3.97Å; P80-A83 PolarHBondContact O-N 3.27Å; P80-E84 PolarHBondContact O-N 3.35Å; P80-E84 VanDerWaalsContact O-N 3.15Å
81V98.5Very high97.3Very high0 Ų060.4 Ų60.40%034%0.343CS..Hα-helixtrans-70.9-36.3177178.40000111F25 V27 I34 I40 L78 E79 A83 E84 L85 L118F25-V81 HydrophobicContact CB-CG1 3.87Å; F25-V81 HydrophobicContact CD2-CG1 3.43Å; F25-V81 VanDerWaalsContact CD2-CG1 3.43Å; F25-V81 HydrophobicContact CE2-CG1 3.99Å; F25-V81 HydrophobicContact CG-CG1 3.74Å; V27-V81 HydrophobicContact CG2-CG2 4.07Å; I34-V81 HydrophobicContact CD1-CG2 4.22Å; I40-V81 HydrophobicContact CD1-CB 4.48Å; I40-V81 HydrophobicContact CD1-CG1 3.84Å; I40-V81 HydrophobicContact CD1-CG2 4.41Å; I40-V81 HydrophobicContact CG1-CG1 4.07Å; L78-V81 HydrophobicContact CD2-CB 4.21Å; L78-V81 HydrophobicContact CD2-CG2 3.84Å; L78-V81 WeakPolarHBondContact O-CA 3.42Å; L78-V81 VanDerWaalsContact O-CB 3.25Å; L78-V81 WeakPolarHBondContact O-CB 3.06Å; L78-V81 PolarHBondContact O-N 3.16Å; E79-V81 PolarHBondContact O-N 2.95Å; V81-A83 VanDerWaalsContact C-N 3.32Å; V81-A83 PolarHBondContact O-N 2.92Å; V81-E84 PolarHBondContact O-N 3.36Å; V81-L85 VanDerWaalsContact O-CB 3.26Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 PolarHBondContact O-N 3.15Å; V81-L118 HydrophobicContact CB-CD2 4.23Å; V81-L118 HydrophobicContact CG1-CD2 4.14Å
82A98.3Very high97.4Very high9 Ų961.8 Ų61.87%0.07434%0.339CS..Hα-helixtrans-60.2-43.117400000111.5L78 E79 L85 K86 V93 F95 L118L78-A82 PolarHBondContact O-N 3.4Å; L78-A82 VanDerWaalsContact O-N 3.08Å; E79-A82 WeakPolarHBondContact O-CB 3.24Å; E79-A82 PolarHBondContact O-N 2.57Å; E79-A82 VanDerWaalsContact O-N 3.11Å; A82-L85 PolarHBondContact O-N 3.26Å; A82-K86 WeakPolarHBondContact O-CB 3.47Å; A82-K86 PolarHBondContact O-N 2.79Å; A82-V93 HydrophobicContact CB-CG1 4.13Å; A82-F95 HydrophobicContact CB-CB 3.99Å; A82-F95 HydrophobicContact CB-CD2 4.05Å; A82-F95 HydrophobicContact CB-CG 4.25Å; A82-L118 HydrophobicContact CB-CD2 3.82Å
83A97.8Very high97.5Very high59 Ų5959.4 Ų59.449%0.48833%0.329SS..Hα-helixtrans-65.1-42.9178.700000112.5E79 P80 V81 K86 T87E79-A83 PolarHBondContact O-N 2.85Å; P80-A83 PolarHBondContact O-N 3.27Å; V81-A83 VanDerWaalsContact C-N 3.32Å; V81-A83 PolarHBondContact O-N 2.92Å; A83-K86 PolarHBondContact O-N 2.96Å; A83-T87 PolarHBondContact O-N 3.27Å; A83-T87 PolarHBondContact O-OG1 2.84Å
84E98.2Very high97.6Very high47 Ų4759.6 Ų59.622%0.2233%0.329CS..Hα-helixtrans-64.6-45.9175.4-177.161.1-15800111.5I34 N37 I40 P80 V81 K86 T87 L88I34-E84 HydrophobicContact CD1-CB 3.66Å; I34-E84 HydrophobicContact CD1-CG 4.02Å; N37-E84 HydrophobicContact CB-CG 4.09Å; N37-E84 PolarHBondContact ND2-OE1 2.99Å; I40-E84 HydrophobicContact CD1-CB 4.1Å; I40-E84 HydrophobicContact CD1-CG 3.74Å; P80-E84 PolarHBondContact O-N 3.35Å; P80-E84 VanDerWaalsContact O-N 3.15Å; V81-E84 PolarHBondContact O-N 3.36Å; E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 PolarHBondContact O-N 3.03Å; E84-T87 WeakPolarHBondContact O-CB 3.01Å; E84-T87 PolarHBondContact O-N 2.75Å; E84-T87 VanDerWaalsContact O-N 3.1Å; E84-L88 HydrophobicContact CG-CD1 4.22Å; E84-L88 WeakPolarHBondContact O-CG 3.43Å; E84-L88 PolarHBondContact O-N 3.28Å
85L98.4Very high97.9Very high0 Ų055 Ų550%031%0.307CS..Hα-helixtrans-62.8-39179-176.565.3000111.9F25 I40 V44 I47 L60 V81 A82 T87 L88 L89 V93F25-L85 HydrophobicContact CE2-CD2 4.12Å; F25-L85 HydrophobicContact CZ-CD1 4.36Å; F25-L85 HydrophobicContact CZ-CD2 4.18Å; I40-L85 HydrophobicContact CG2-CB 4.14Å; I40-L85 HydrophobicContact CG2-CD1 3.82Å; V44-L85 HydrophobicContact CG2-CD1 4.3Å; I47-L85 HydrophobicContact CD1-CD1 4.04Å; I47-L85 HydrophobicContact CD1-CD2 4.36Å; L60-L85 HydrophobicContact CD1-CD2 3.32Å; V81-L85 VanDerWaalsContact O-CB 3.26Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 PolarHBondContact O-N 3.15Å; A82-L85 PolarHBondContact O-N 3.26Å; L85-T87 VanDerWaalsContact C-N 3.27Å; L85-T87 PolarHBondContact O-N 3.25Å; L85-L88 PolarHBondContact O-N 2.99Å; L85-L89 HydrophobicContact CD1-CD1 3.85Å; L85-L89 HydrophobicContact CD1-CG 3.91Å; L85-L89 HydrophobicContact CD2-CD1 4.23Å; L85-L89 HydrophobicContact CG-CD1 3.74Å; L85-L89 HydrophobicContact CG-CG 4.17Å; L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 WeakPolarHBondContact O-CG 3.38Å; L85-L89 PolarHBondContact O-N 2.91Å; L85-V93 HydrophobicContact CB-CG2 4.37Å; L85-V93 HydrophobicContact CD2-CG1 4.37Å; L85-V93 HydrophobicContact CD2-CG2 4.17Å; L85-V93 HydrophobicContact CG-CG2 4.11Å
86K98.4Very high98.1Very high97 Ų9750 Ų5042%0.42229%0.286SS..Hα-helixtrans-56-43.4172.6167.8169.6175.7160.60111.7A82 A83 E84 G90 K91 D92 V93A82-K86 WeakPolarHBondContact O-CB 3.47Å; A82-K86 PolarHBondContact O-N 2.79Å; A83-K86 PolarHBondContact O-N 2.96Å; E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 PolarHBondContact O-N 3.03Å; K86-G90 PolarHBondContact O-N 3.4Å; K86-K91 WeakPolarHBondContact CA-O 3.47Å; K86-K91 WeakPolarHBondContact CG-O 3.43Å; K86-K91 PolarHBondContact O-N 3.15Å; K86-D92 VanDerWaalsContact CE-OD1 3.27Å; K86-D92 WeakPolarHBondContact CE-OD1 3.37Å; K86-D92 IonicContact NZ-OD1 3.95Å; K86-D92 PolarHBondContact NZ-OD1 3.23Å; K86-V93 HydrophobicContact CB-CB 4.37Å; K86-V93 HydrophobicContact CB-CG2 4.05Å
87T97.9Very high98.1Very high107 Ų10756.1 Ų56.166%0.65631%0.314SS*.Hα-helixtrans-65.3-45.5177.7-57.10000111.3A83 E84 L85 G90A83-T87 PolarHBondContact O-N 3.27Å; A83-T87 PolarHBondContact O-OG1 2.84Å; E84-T87 WeakPolarHBondContact O-CB 3.01Å; E84-T87 PolarHBondContact O-N 2.75Å; E84-T87 VanDerWaalsContact O-N 3.1Å; L85-T87 VanDerWaalsContact C-N 3.27Å; L85-T87 PolarHBondContact O-N 3.25Å; T87-G90 PolarHBondContact O-N 3.12Å
88L97.9Very high98.2Very high56 Ų5658.6 Ų58.629%0.29333%0.326SS..Hα-helixtrans-67.9-35.5-179-67.7173.3000113.5I40 K41 V44 E84 L85I40-L88 HydrophobicContact CB-CD1 4.11Å; I40-L88 HydrophobicContact CG2-CD1 3.67Å; K41-L88 HydrophobicContact CG-CD1 3.76Å; K41-L88 HydrophobicContact CG-CD2 3.92Å; V44-L88 HydrophobicContact CG2-CB 4.26Å; E84-L88 HydrophobicContact CG-CD1 4.22Å; E84-L88 WeakPolarHBondContact O-CG 3.43Å; E84-L88 PolarHBondContact O-N 3.28Å; L85-L88 PolarHBondContact O-N 2.99Å
89L97.4Very high98.2Very high20 Ų2058.7 Ų58.711%0.10533%0.327CS..Hα-helixtrans-84.4-20179-68.1177.8000113.4V44 I47 L85 K91 V93 V116V44-L89 HydrophobicContact CB-CD2 4.48Å; V44-L89 HydrophobicContact CG1-CD2 3.88Å; V44-L89 HydrophobicContact CG2-CD2 4.21Å; I47-L89 HydrophobicContact CG2-CD1 3.96Å; I47-L89 HydrophobicContact CG2-CD2 4.12Å; L85-L89 HydrophobicContact CD1-CD1 3.85Å; L85-L89 HydrophobicContact CD1-CG 3.91Å; L85-L89 HydrophobicContact CD2-CD1 4.23Å; L85-L89 HydrophobicContact CG-CD1 3.74Å; L85-L89 HydrophobicContact CG-CG 4.17Å; L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 WeakPolarHBondContact O-CG 3.38Å; L85-L89 PolarHBondContact O-N 2.91Å; L89-K91 HydrophobicContact CB-CB 4.16Å; L89-K91 PolarHBondContact O-N 3.38Å; L89-V93 HydrophobicContact CD1-CG2 4.35Å; L89-V116 HydrophobicContact CD1-CG1 4.23Å; L89-V116 HydrophobicContact CD1-CG2 4.43Å
90G97.4Very high98.2Very high77 Ų7754.1 Ų54.179%0.79431%0.306SS*.THydrogen-bonded Turntrans60.627.4-168.400000112.7K86 T87K86-G90 PolarHBondContact O-N 3.4Å; T87-G90 PolarHBondContact O-N 3.12Å
91K96.6Very high98.2Very high82 Ų8253.1 Ų53.136%0.35730%0.304SS..SBendtrans-140.1146.8-175.2-167.2172.8-164174.40110.5L51 K86 L89 V93 G114 V116L51-K91 HydrophobicContact CD1-CD 4.13Å; K86-K91 WeakPolarHBondContact CA-O 3.47Å; K86-K91 WeakPolarHBondContact CG-O 3.43Å; K86-K91 PolarHBondContact O-N 3.15Å; L89-K91 HydrophobicContact CB-CB 4.16Å; L89-K91 PolarHBondContact O-N 3.38Å; K91-V93 PolarHBondContact O-N 3.26Å; K91-G114 WeakPolarHBondContact CE-O 3.22Å; K91-G114 PolarHBondContact NZ-O 3.26Å; K91-V116 HydrophobicContact CD-CG2 4.28Å
92D97.9Very high98.2Very high109 Ų10958.2 Ų58.258%0.58334%0.337SS*.  trans-61136.5175.6-73.5-41.7000111.9K86K86-D92 VanDerWaalsContact CE-OD1 3.27Å; K86-D92 WeakPolarHBondContact CE-OD1 3.37Å; K86-D92 IonicContact NZ-OD1 3.95Å; K86-D92 PolarHBondContact NZ-OD1 3.23Å
93V98.7Very high98.1Very high20 Ų2065.9 Ų65.912%0.12137%0.371CS..EExtended strand (participates in β ladder)trans-118113.4175.5178.20000107.6A82 L85 K86 L89 K91 F95 V116 L118A82-V93 HydrophobicContact CB-CG1 4.13Å; L85-V93 HydrophobicContact CB-CG2 4.37Å; L85-V93 HydrophobicContact CD2-CG1 4.37Å; L85-V93 HydrophobicContact CD2-CG2 4.17Å; L85-V93 HydrophobicContact CG-CG2 4.11Å; K86-V93 HydrophobicContact CB-CB 4.37Å; K86-V93 HydrophobicContact CB-CG2 4.05Å; L89-V93 HydrophobicContact CD1-CG2 4.35Å; K91-V93 PolarHBondContact O-N 3.26Å; V93-F95 PolarHBondContact O-N 2.84Å; V93-V116 HydrophobicContact CG1-CG1 4.37Å; V93-V116 HydrophobicContact CG2-CB 4.48Å; V93-V116 HydrophobicContact CG2-CG1 4.1Å; V93-L118 HydrophobicContact CG1-CB 3.89Å
94T98.7Very high98.2Very high74 Ų7463.3 Ų63.345%0.45435%0.35SS..EExtended strand (participates in β ladder)trans-76.6119.1174.9-59.80000109.1L96 V116 I117 L118T94-L96 HydrophobicContact CG2-CD2 4.06Å; T94-V116 PolarHBondContact N-O 2.88Å; T94-I117 CarbonylContact O-C 3.58Å; T94-I117 VanDerWaalsContact O-CA 3.3Å; T94-I117 WeakPolarHBondContact O-CA 3.37Å; T94-L118 PolarHBondContact O-N 3.47Å
95F98.8Very high98.2Very high42 Ų4263.2 Ų63.218%0.18435%0.349CS..EExtended strand (participates in β ladder)trans-95.3127.1174.9-175.6-112.4000111L78 E79 A82 V93 K97 L118 E120L78-F95 HydrophobicContact CB-CE2 3.9Å; L78-F95 HydrophobicContact CB-CZ 4.4Å; E79-F95 HydrophobicContact CB-CD1 3.99Å; E79-F95 HydrophobicContact CB-CE1 3.64Å; E79-F95 HydrophobicContact CB-CZ 3.98Å; E79-F95 HydrophobicContact CG-CD1 4.12Å; E79-F95 HydrophobicContact CG-CE1 4.23Å; A82-F95 HydrophobicContact CB-CB 3.99Å; A82-F95 HydrophobicContact CB-CD2 4.05Å; A82-F95 HydrophobicContact CB-CG 4.25Å; V93-F95 PolarHBondContact O-N 2.84Å; F95-K97 HydrophobicContact CE1-CG 4.49Å; F95-L118 WeakPolarHBondContact CA-O 3.35Å; F95-L118 HydrophobicContact CD2-CB 4.21Å; F95-L118 HydrophobicContact CD2-CD2 4.24Å; F95-L118 HydrophobicContact CD2-CG 4.09Å; F95-L118 WeakPolarHBondContact CD2-O 3.43Å; F95-L118 HydrophobicContact CE2-CD2 4.46Å; F95-L118 HydrophobicContact CE2-CG 4.34Å; F95-E120 HydrophobicContact CZ-CB 4.23Å; F95-E120 HydrophobicContact CZ-CG 4.47Å; F95-E120 WeakPolarHBondContact CZ-OE2 3.32Å
96L98.7Very high98.2Very high32 Ų3266.1 Ų66.117%0.16837%0.373CS..EExtended strand (participates in β ladder)trans-105.4136.5173.9-57.3-175.8000109.5T94 D98 V104 A107 I117 L118 L119 E120T94-L96 HydrophobicContact CG2-CD2 4.06Å; L96-D98 PolarHBondContact O-N 2.88Å; L96-V104 HydrophobicContact CD1-CB 4.41Å; L96-V104 HydrophobicContact CD1-CG1 4.01Å; L96-V104 HydrophobicContact CD1-CG2 4.32Å; L96-A107 HydrophobicContact CD1-CB 3.93Å; L96-A107 HydrophobicContact CD2-CB 4.37Å; L96-I117 HydrophobicContact CD1-CG2 3.8Å; L96-I117 HydrophobicContact CG-CG2 3.91Å; L96-L118 PolarHBondContact N-O 3.41Å; L96-L119 HydrophobicContact CB-CD2 4.32Å; L96-L119 HydrophobicContact CD1-CD2 3.84Å; L96-L119 HydrophobicContact CG-CD2 4.43Å; L96-E120 WeakPolarHBondContact O-CB 3.27Å; L96-E120 PolarHBondContact O-N 3.41Å
97K98.4Very high98.2Very high178 Ų17863.6 Ų63.677%0.77437%0.37SS*.SBendtrans-78.43-175.6-64.4-174.6177-176.60114.4F95 E120F95-K97 HydrophobicContact CE1-CG 4.49Å; K97-E120 VanDerWaalsContact C-CB 3.47Å
98D98.6Very high98.2Very high66 Ų6658.5 Ų58.535%0.35334%0.339SS..  trans-142.8169.2171.2-150.5-32.3000108.9L96 V104 H125L96-D98 PolarHBondContact O-N 2.88Å; D98-V104 HydrophobicContact CB-CG2 4.01Å; D98-V104 WeakPolarHBondContact O-CG2 3.29Å; D98-H125 IonicContact OD1-CD2 2.95Å; D98-H125 IonicContact OD1-CE1 2.94Å; D98-H125 PolarHBondContact OD1-CE1 3.36Å; D98-H125 IonicContact OD1-NE2 3.92Å; D98-H125 PolarHBondContact OD1-NE2 3.33Å
99C98.6Very high98.1Very high1 Ų159 Ų591%0.00735%0.348CS..SBendtrans-112.5-8.9178.363.70000114.2L119 L122 H125C99-L119 HydrophobicContact CB-CB 3.84Å; C99-L119 HydrophobicContact CB-CD1 4Å; C99-L122 HydrophobicContact CB-CD2 4.03Å; C99-H125 PolarHBondContact SG-CD2 2.82Å
100V98.6Very high98Very high18 Ų1861.9 Ų61.911%0.10937%0.369CS..SBendtrans-142.3174.8-179.2-70.10000110.7V104 F150 S153 L154V100-V104 WeakPolarHBondContact O-CG2 3.2Å; V100-F150 HydrophobicContact CB-CD2 4.31Å; V100-F150 HydrophobicContact CB-CE2 4.36Å; V100-F150 HydrophobicContact CG1-CD2 3.6Å; V100-F150 HydrophobicContact CG1-CE2 3.54Å; V100-F150 HydrophobicContact CG1-CG 4.36Å; V100-F150 HydrophobicContact CG1-CZ 4.28Å; V100-F150 HydrophobicContact CG2-CD2 3.86Å; V100-F150 HydrophobicContact CG2-CE2 3.87Å; V100-S153 WeakPolarHBondContact CB-OG 3.46Å; V100-L154 HydrophobicContact CG1-CD2 3.77Å; V100-L154 HydrophobicContact CG1-CG 3.98Å
101G98.1Very high98Very high21 Ų2159.1 Ų59.122%0.21634%0.337CS..SBendtrans94.2172.5174.400000114E103 V104 E105 S153G101-E103 VanDerWaalsContact C-N 3.33Å; G101-E103 PolarHBondContact O-N 2.84Å; G101-V104 PolarHBondContact O-N 3.09Å; G101-E105 WeakPolarHBondContact O-CB 3.41Å; G101-E105 VanDerWaalsContact O-CG 3.29Å; G101-E105 WeakPolarHBondContact O-CG 3.42Å; G101-E105 PolarHBondContact O-N 2.98Å; G101-S153 PolarHBondContact N-OG 3.16Å
102P97.9Very high98.1Very high108 Ų10858.6 Ų58.670%0.70135%0.348SS*.Hα-helixtrans-62.9-35-165.723.4-33.8000113.7A106P102-A106 VanDerWaalsContact O-CB 3.26Å; P102-A106 WeakPolarHBondContact O-CB 3.5Å; P102-A106 PolarHBondContact O-N 3.16Å
103E97.9Very high98.1Very high169 Ų16957.9 Ų57.979%0.7936%0.358SS*.Hα-helixtrans-67.8-43.6178.4-64.6-177.4-17800111.9G101 A106 A107G101-E103 VanDerWaalsContact C-N 3.33Å; G101-E103 PolarHBondContact O-N 2.84Å; E103-A106 PolarHBondContact O-N 3.36Å; E103-A107 WeakPolarHBondContact O-CB 3.43Å; E103-A107 PolarHBondContact O-N 3Å
104V98.6Very high98Very high6 Ų657.6 Ų57.64%0.03636%0.358CS..Hα-helixtrans-67-44.6176.4176.40000110.6L96 D98 V100 G101 A106 A107 C108 L119 L157L96-V104 HydrophobicContact CD1-CB 4.41Å; L96-V104 HydrophobicContact CD1-CG1 4.01Å; L96-V104 HydrophobicContact CD1-CG2 4.32Å; D98-V104 HydrophobicContact CB-CG2 4.01Å; D98-V104 WeakPolarHBondContact O-CG2 3.29Å; V100-V104 WeakPolarHBondContact O-CG2 3.2Å; G101-V104 PolarHBondContact O-N 3.09Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 2.74Å; V104-A107 PolarHBondContact O-N 2.66Å; V104-C108 WeakPolarHBondContact O-CB 3.37Å; V104-C108 PolarHBondContact O-N 2.72Å; V104-C108 PolarHBondContact O-SG 3.12Å; V104-C108 VanDerWaalsContact O-SG 3.41Å; V104-L119 HydrophobicContact CG1-CD2 3.77Å; V104-L157 HydrophobicContact CG1-CD1 4.03Å; V104-L157 HydrophobicContact CG1-CD2 4Å
105E98.5Very high98Very high44 Ų4455.4 Ų55.421%0.20635%0.346CS..Hα-helixtrans-59.4-43.7176.5-72.1176.2-164.100111.5G101 C108 S109 S153 K156 L157G101-E105 WeakPolarHBondContact O-CB 3.41Å; G101-E105 VanDerWaalsContact O-CG 3.29Å; G101-E105 WeakPolarHBondContact O-CG 3.42Å; G101-E105 PolarHBondContact O-N 2.98Å; E105-C108 PolarHBondContact O-N 3.03Å; E105-S109 WeakPolarHBondContact O-CB 3.45Å; E105-S109 PolarHBondContact O-N 2.72Å; E105-S153 WeakPolarHBondContact OE1-CB 3.33Å; E105-S153 PolarHBondContact OE1-OG 3.06Å; E105-K156 HydrophobicContact CG-CB 4.4Å; E105-K156 HydrophobicContact CG-CD 4.03Å; E105-K156 WeakPolarHBondContact OE1-CD 3.47Å; E105-K156 IonicContact OE1-NZ 2.84Å; E105-K156 PolarHBondContact OE1-NZ 2.81Å; E105-K156 WeakPolarHBondContact OE2-CD 3.2Å; E105-K156 IonicContact OE2-NZ 3.04Å; E105-K156 PolarHBondContact OE2-NZ 3.41Å; E105-L157 HydrophobicContact CB-CD2 4.5Å; E105-L157 HydrophobicContact CG-CD2 4.02Å
106A98.1Very high98Very high62 Ų6253.5 Ų53.551%0.51234%0.338SS..Hα-helixtrans-62.2-47.1176.500000111.7P102 E103 V104 C108 S109P102-A106 VanDerWaalsContact O-CB 3.26Å; P102-A106 WeakPolarHBondContact O-CB 3.5Å; P102-A106 PolarHBondContact O-N 3.16Å; E103-A106 PolarHBondContact O-N 3.36Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 2.74Å; A106-C108 VanDerWaalsContact C-N 3.28Å; A106-C108 PolarHBondContact O-N 3.4Å; A106-S109 PolarHBondContact O-N 2.99Å; A106-S109 PolarHBondContact O-OG 3.3Å
107A98.1Very high98Very high43 Ų4352.2 Ų52.236%0.35533%0.331SS..Hα-helixtrans-60.9-35.2178.400000112.8L96 E103 V104L96-A107 HydrophobicContact CD1-CB 3.93Å; L96-A107 HydrophobicContact CD2-CB 4.37Å; E103-A107 WeakPolarHBondContact O-CB 3.43Å; E103-A107 PolarHBondContact O-N 3Å; V104-A107 PolarHBondContact O-N 2.66Å
108C98.1Very high98.1Very high0 Ų043.8 Ų43.80%029%0.294CS..Hα-helixtrans-90.4-9-179.4-660000114.1R18 V59 V104 E105 A106 P111 L157R18-C108 VanDerWaalsContact CD-O 3.26Å; R18-C108 WeakPolarHBondContact CD-O 3.47Å; R18-C108 PolarHBondContact NH1-O 2.92Å; V59-C108 HydrophobicContact CG2-CB 4.36Å; V104-C108 WeakPolarHBondContact O-CB 3.37Å; V104-C108 PolarHBondContact O-N 2.72Å; V104-C108 PolarHBondContact O-SG 3.12Å; V104-C108 VanDerWaalsContact O-SG 3.41Å; E105-C108 PolarHBondContact O-N 3.03Å; A106-C108 VanDerWaalsContact C-N 3.28Å; A106-C108 PolarHBondContact O-N 3.4Å; C108-P111 WeakPolarHBondContact O-CD 3.22Å; C108-L157 HydrophobicContact CB-CB 4.12Å; C108-L157 HydrophobicContact CB-CD2 3.9Å
109S97.3Very high98.1Very high68 Ų6840.6 Ų40.648%0.47628%0.278SS..Hα-helixtrans-66.6-46.2-175.466.40000113E105 A106E105-S109 WeakPolarHBondContact O-CB 3.45Å; E105-S109 PolarHBondContact O-N 2.72Å; A106-S109 PolarHBondContact O-N 2.99Å; A106-S109 PolarHBondContact O-OG 3.3Å
110S94.8Very high98.1Very high80 Ų8040.9 Ų40.956%0.55928%0.279SS*.SBendtrans-150.365.1179.3-173.50000112.3K56K56-S110 PolarHBondContact NZ-OG 2.97Å
111P96.7Very high98.1Very high19 Ų1940.1 Ų40.112%0.12327%0.274CS..PPolyproline II helixtrans-66167173.631-37.2000111.6K56 S57 C108 I117K56-P111 WeakPolarHBondContact CE-O 3.23Å; S57-P111 VanDerWaalsContact CB-CG 3.44Å; S57-P111 WeakPolarHBondContact OG-CG 3.4Å; C108-P111 WeakPolarHBondContact O-CD 3.22Å; P111-I117 HydrophobicContact CB-CD1 4.25Å; P111-I117 HydrophobicContact CG-CD1 4.46Å
112A97.9Very high98.1Very high71 Ų7139.1 Ų39.159%0.58726%0.264SS*.PPolyproline II helixtrans-59149.7170.600000110.8G114 S115A112-G114 PolarHBondContact O-N 2.83Å; A112-S115 WeakPolarHBondContact O-CB 3.05Å; A112-S115 PolarHBondContact O-N 3.19Å; A112-S115 VanDerWaalsContact O-N 3.14Å; A112-S115 PolarHBondContact O-OG 3.3Å
113A98.1Very high98.2Very high94 Ų9434.7 Ų34.778%0.77723%0.233SC*.THydrogen-bonded Turntrans-60.8132.9-179.700000111.3K56 S115K56-A113 CarbonylContact O-C 3.58Å; K56-A113 WeakPolarHBondContact O-CA 3.39Å; A113-S115 VanDerWaalsContact C-N 3.34Å
114G98Very high98.2Very high13 Ų1327.6 Ų27.613%0.13420%0.2CC..THydrogen-bonded Turntrans76.413.2-17700000114.8L51 A55 K56 K91 A112L51-G114 WeakPolarHBondContact CD2-O 3.38Å; A55-G114 PolarHBondContact O-N 2.58Å; K56-G114 PolarHBondContact O-N 3.17Å; K91-G114 WeakPolarHBondContact CE-O 3.22Å; K91-G114 PolarHBondContact NZ-O 3.26Å; A112-G114 PolarHBondContact O-N 2.83Å
115S98.7Very high98.2Very high28 Ų2829.6 Ų29.620%0.19621%0.208CC..EExtended strand (participates in β ladder)trans-61.3139.2176.3-76.60000112.3K56 S57 V58 A112 A113K56-S115 PolarHBondContact O-N 3.22Å; S57-S115 CarbonylContact C-O 3.47Å; S57-S115 VanDerWaalsContact CA-O 3.23Å; S57-S115 WeakPolarHBondContact CA-O 3.5Å; V58-S115 PolarHBondContact N-O 2.9Å; A112-S115 WeakPolarHBondContact O-CB 3.05Å; A112-S115 PolarHBondContact O-N 3.19Å; A112-S115 VanDerWaalsContact O-N 3.14Å; A112-S115 PolarHBondContact O-OG 3.3Å; A113-S115 VanDerWaalsContact C-N 3.34Å
116V98.9Very high98.2Very high2 Ų228.9 Ų28.91%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-110.8125168.6-176.30000108.2L51 V58 L60 L89 K91 V93 T94L51-V116 HydrophobicContact CD1-CG2 3.88Å; L51-V116 HydrophobicContact CD2-CG2 3.99Å; L51-V116 HydrophobicContact CG-CG2 4.46Å; V58-V116 WeakPolarHBondContact O-CA 3.26Å; L60-V116 HydrophobicContact CD1-CG1 4Å; L89-V116 HydrophobicContact CD1-CG1 4.23Å; L89-V116 HydrophobicContact CD1-CG2 4.43Å; K91-V116 HydrophobicContact CD-CG2 4.28Å; V93-V116 HydrophobicContact CG1-CG1 4.37Å; V93-V116 HydrophobicContact CG2-CB 4.48Å; V93-V116 HydrophobicContact CG2-CG1 4.1Å; T94-V116 PolarHBondContact N-O 2.88Å
117I98.9Very high98.2Very high6 Ų626.3 Ų26.33%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-124.6127.8-177.1-60.8164.9000107.9V58 V59 L60 T94 L96 P111 L119V58-I117 PolarHBondContact O-N 3.36Å; V59-I117 CarbonylContact C-O 3.52Å; V59-I117 HydrophobicContact CG2-CB 4.46Å; V59-I117 HydrophobicContact CG2-CD1 4.28Å; L60-I117 PolarHBondContact N-O 3.05Å; T94-I117 CarbonylContact O-C 3.58Å; T94-I117 VanDerWaalsContact O-CA 3.3Å; T94-I117 WeakPolarHBondContact O-CA 3.37Å; L96-I117 HydrophobicContact CD1-CG2 3.8Å; L96-I117 HydrophobicContact CG-CG2 3.91Å; P111-I117 HydrophobicContact CB-CD1 4.25Å; P111-I117 HydrophobicContact CG-CD1 4.46Å; I117-L119 HydrophobicContact CG2-CD2 4.13Å
118L98.9Very high98.2Very high0 Ų024.3 Ų24.30%017%0.169CC..EExtended strand (participates in β ladder)trans-106.3122.7169-18061.2000109.3F25 L60 L78 V81 A82 V93 T94 F95 L96F25-L118 HydrophobicContact CD2-CD1 4.1Å; F25-L118 HydrophobicContact CE2-CD1 4.13Å; L60-L118 HydrophobicContact CB-CD1 3.75Å; L78-L118 HydrophobicContact CB-CD2 4.18Å; V81-L118 HydrophobicContact CB-CD2 4.23Å; V81-L118 HydrophobicContact CG1-CD2 4.14Å; A82-L118 HydrophobicContact CB-CD2 3.82Å; V93-L118 HydrophobicContact CG1-CB 3.89Å; T94-L118 PolarHBondContact O-N 3.47Å; F95-L118 WeakPolarHBondContact CA-O 3.35Å; F95-L118 HydrophobicContact CD2-CB 4.21Å; F95-L118 HydrophobicContact CD2-CD2 4.24Å; F95-L118 HydrophobicContact CD2-CG 4.09Å; F95-L118 WeakPolarHBondContact CD2-O 3.43Å; F95-L118 HydrophobicContact CE2-CD2 4.46Å; F95-L118 HydrophobicContact CE2-CG 4.34Å; L96-L118 PolarHBondContact N-O 3.41Å
119L98.9Very high98.2Very high0 Ų026.1 Ų26.10%018%0.177CC..EExtended strand (participates in β ladder)trans-79.9157.4173.1-54.7-175.6000111V59 L60 M61 L96 C99 V104 I117 L157V59-L119 HydrophobicContact CG1-CD1 3.95Å; V59-L119 HydrophobicContact CG1-CD2 3.98Å; V59-L119 HydrophobicContact CG1-CG 3.91Å; L60-L119 WeakPolarHBondContact O-CG 3.4Å; L60-L119 PolarHBondContact O-N 2.89Å; M61-L119 HydrophobicContact CB-CD1 4.04Å; L96-L119 HydrophobicContact CB-CD2 4.32Å; L96-L119 HydrophobicContact CD1-CD2 3.84Å; L96-L119 HydrophobicContact CG-CD2 4.43Å; C99-L119 HydrophobicContact CB-CB 3.84Å; C99-L119 HydrophobicContact CB-CD1 4Å; V104-L119 HydrophobicContact CG1-CD2 3.77Å; I117-L119 HydrophobicContact CG2-CD2 4.13Å; L119-L157 HydrophobicContact CD1-CD1 3.56Å
120E98.8Very high98.2Very high7 Ų724.1 Ų24.13%0.03317%0.167CC..  trans-66.1166.4170.8-172.654.3-71.900111.8S77 L78 F95 L96 K97 L122 F124S77-E120 WeakPolarHBondContact CA-OE1 3.38Å; S77-E120 VanDerWaalsContact CB-OE2 3.28Å; S77-E120 WeakPolarHBondContact CB-OE2 3.17Å; S77-E120 PolarHBondContact OG-OE1 3.21Å; S77-E120 PolarHBondContact OG-OE2 3.44Å; L78-E120 PolarHBondContact N-OE1 2.8Å; F95-E120 HydrophobicContact CZ-CB 4.23Å; F95-E120 HydrophobicContact CZ-CG 4.47Å; F95-E120 WeakPolarHBondContact CZ-OE2 3.32Å; L96-E120 WeakPolarHBondContact O-CB 3.27Å; L96-E120 PolarHBondContact O-N 3.41Å; K97-E120 VanDerWaalsContact C-CB 3.47Å; E120-L122 PolarHBondContact O-N 2.84Å; E120-L122 VanDerWaalsContact O-N 3.16Å; E120-F124 HydrophobicContact CG-CD2 3.68Å; E120-F124 HydrophobicContact CG-CE2 3.58Å
121N98.8Very high98.3Very high1 Ų127.5 Ų27.51%0.00517%0.172CC..  trans-52.8112.4-176.8-170.3-16.7000113.5H63 L64 Y76 L78 R123 F124H63-N121 VanDerWaalsContact CA-OD1 3.29Å; H63-N121 WeakPolarHBondContact CA-OD1 3.4Å; L64-N121 PolarHBondContact N-ND2 3.47Å; L64-N121 PolarHBondContact N-OD1 2.91Å; L64-N121 PolarHBondContact O-ND2 3.24Å; Y76-N121 PolarHBondContact O-ND2 3.3Å; L78-N121 HydrophobicContact CD1-CB 4.42Å; L78-N121 HydrophobicContact CG-CB 4.45Å; N121-R123 PolarHBondContact O-N 2.95Å; N121-R123 VanDerWaalsContact O-N 3.09Å; N121-R123 PolarHBondContact OD1-N 3.3Å; N121-R123 VanDerWaalsContact OD1-N 3.08Å; N121-F124 HydrophobicContact CB-CD1 3.98Å; N121-F124 HydrophobicContact CB-CD2 4.12Å; N121-F124 HydrophobicContact CB-CE1 3.89Å; N121-F124 HydrophobicContact CB-CE2 4.03Å; N121-F124 HydrophobicContact CB-CG 4.09Å; N121-F124 HydrophobicContact CB-CZ 3.91Å; N121-F124 WeakPolarHBondContact O-CB 3.39Å; N121-F124 WeakPolarHBondContact O-CG 3.4Å; N121-F124 PolarHBondContact O-N 2.9Å
122L98.9Very high98.3Very high0 Ų027.2 Ų27.20%017%0.172CC..G310 helixtrans-52.5-35.2178.3-71.1167.2000113.1M61 S62 C99 E120 F124 H125 E128 F150 L154M61-L122 HydrophobicContact CB-CD1 3.96Å; M61-L122 HydrophobicContact CB-CD2 4.16Å; M61-L122 HydrophobicContact CB-CG 4.2Å; M61-L122 HydrophobicContact CG-CD1 4.18Å; M61-L122 HydrophobicContact SD-CD1 4.27Å; M61-L122 HydrophobicContact SD-CD2 4.3Å; S62-L122 WeakPolarHBondContact O-CB 3.28Å; S62-L122 WeakPolarHBondContact O-CD1 3.08Å; S62-L122 VanDerWaalsContact O-CG 3.23Å; S62-L122 WeakPolarHBondContact O-CG 3.37Å; S62-L122 PolarHBondContact O-N 3.03Å; C99-L122 HydrophobicContact CB-CD2 4.03Å; E120-L122 PolarHBondContact O-N 2.84Å; E120-L122 VanDerWaalsContact O-N 3.16Å; L122-F124 PolarHBondContact O-N 3.36Å; L122-H125 PolarHBondContact O-N 2.84Å; L122-H125 VanDerWaalsContact O-N 3.12Å; L122-E128 HydrophobicContact CB-CB 4.38Å; L122-E128 HydrophobicContact CB-CG 3.94Å; L122-E128 WeakPolarHBondContact O-CB 3.36Å; L122-F150 HydrophobicContact CD2-CZ 3.96Å; L122-L154 HydrophobicContact CD2-CD1 4.3Å; L122-L154 HydrophobicContact CD2-CD2 3.98Å
123R98.6Very high98.2Very high15 Ų1528.6 Ų28.66%0.05717%0.165CC..G310 helixtrans-76.8-1.8-177.6-71.3-173.9176.5153.69.4113.8H63 G65 P67 G69 N121 H125 E128 E129H63-R123 HydrophobicContact CB-CB 4.44Å; H63-R123 HydrophobicContact CB-CG 3.8Å; H63-R123 PolarHBondContact CD2-NH1 3.36Å; H63-R123 PolarHBondContact NE2-NH1 3.44Å; H63-R123 VanDerWaalsContact NE2-NH1 3.11Å; H63-R123 PolarHBondContact NE2-NH2 2.92Å; G65-R123 PolarHBondContact O-NH1 3.18Å; G65-R123 VanDerWaalsContact O-NH1 3.08Å; P67-R123 HydrophobicContact CG-CB 3.5Å; P67-R123 VanDerWaalsContact CG-CB 3.5Å; P67-R123 WeakPolarHBondContact CG-O 3.38Å; G69-R123 VanDerWaalsContact CA-O 3.22Å; G69-R123 WeakPolarHBondContact CA-O 3.24Å; G69-R123 PolarHBondContact N-O 3.34Å; N121-R123 PolarHBondContact O-N 2.95Å; N121-R123 VanDerWaalsContact O-N 3.09Å; N121-R123 PolarHBondContact OD1-N 3.3Å; N121-R123 VanDerWaalsContact OD1-N 3.08Å; R123-H125 PolarHBondContact O-N 3.05Å; R123-E128 HydrophobicContact CG-CG 4.04Å; R123-E129 WeakPolarHBondContact CD-OE2 3.44Å; R123-E129 HydrophobicContact CG-CG 3.96Å; R123-E129 IonicContact CZ-OE1 2.7Å; R123-E129 VanDerWaalsContact NE-CD 3.29Å; R123-E129 IonicContact NE-OE1 3.6Å; R123-E129 PolarHBondContact NE-OE1 2.89Å; R123-E129 IonicContact NE-OE2 3.63Å; R123-E129 IonicContact NH2-OE1 2.67Å
124F98.6Very high97.8Very high21 Ų2126.4 Ų26.49%0.09214%0.14CC..G310 helixtrans-64.8-18.9163.7-69.4-6.8000112P67 G69 N70 A71 M72 E120 N121 L122P67-F124 HydrophobicContact CB-CD1 3.63Å; P67-F124 HydrophobicContact CB-CE1 3.8Å; P67-F124 HydrophobicContact CG-CD1 3.73Å; P67-F124 HydrophobicContact CG-CE1 4.04Å; G69-F124 CarbonylContact C-O 3.58Å; G69-F124 VanDerWaalsContact O-O 3.05Å; N70-F124 VanDerWaalsContact O-CD1 3.23Å; N70-F124 WeakPolarHBondContact O-CD1 3.42Å; A71-F124 HydrophobicContact CB-CD2 4.47Å; M72-F124 VanDerWaalsContact C-CZ 3.41Å; M72-F124 HydrophobicContact CB-CE1 4.07Å; M72-F124 HydrophobicContact CB-CZ 4.49Å; M72-F124 WeakPolarHBondContact O-CZ 2.89Å; E120-F124 HydrophobicContact CG-CD2 3.68Å; E120-F124 HydrophobicContact CG-CE2 3.58Å; N121-F124 HydrophobicContact CB-CD1 3.98Å; N121-F124 HydrophobicContact CB-CD2 4.12Å; N121-F124 HydrophobicContact CB-CE1 3.89Å; N121-F124 HydrophobicContact CB-CE2 4.03Å; N121-F124 HydrophobicContact CB-CG 4.09Å; N121-F124 HydrophobicContact CB-CZ 3.91Å; N121-F124 WeakPolarHBondContact O-CB 3.39Å; N121-F124 WeakPolarHBondContact O-CG 3.4Å; N121-F124 PolarHBondContact O-N 2.9Å; L122-F124 PolarHBondContact O-N 3.36Å
125H98.5Very high97.5Very high48 Ų4831.8 Ų31.822%0.22217%0.173CC..SBendtrans-103.2122.8175.1-63.1-88.7000110.5D98 C99 L122 R123 A127 E128 F150D98-H125 IonicContact OD1-CD2 2.95Å; D98-H125 IonicContact OD1-CE1 2.94Å; D98-H125 PolarHBondContact OD1-CE1 3.36Å; D98-H125 IonicContact OD1-NE2 3.92Å; D98-H125 PolarHBondContact OD1-NE2 3.33Å; C99-H125 PolarHBondContact SG-CD2 2.82Å; L122-H125 PolarHBondContact O-N 2.84Å; L122-H125 VanDerWaalsContact O-N 3.12Å; R123-H125 PolarHBondContact O-N 3.05Å; H125-A127 PolarHBondContact O-N 3.44Å; H125-A127 VanDerWaalsContact O-N 3.09Å; H125-E128 WeakPolarHBondContact O-CB 3.5Å; H125-E128 PolarHBondContact O-N 2.76Å; H125-F150 HydrophobicContact CB-CD2 4.01Å; H125-F150 HydrophobicContact CB-CE2 3.49Å; H125-F150 VanDerWaalsContact CB-CE2 3.49Å; H125-F150 HydrophobicContact CB-CZ 4.01Å; H125-F150 AromaticContact CD2-CE2 3.76Å; H125-F150 AromaticContact CG-CE2 3.52Å
126V98.1Very high97.2Very high29 Ų2934.4 Ų34.418%0.17620%0.196CC..Hα-helixtrans-57.8-25.8176.167.80000112.7E128 E129 G130 A142V126-E128 PolarHBondContact O-N 3.06Å; V126-E129 PolarHBondContact O-N 2.77Å; V126-G130 WeakPolarHBondContact O-CA 3.48Å; V126-G130 PolarHBondContact O-N 3Å; V126-A142 HydrophobicContact CG1-CB 4.14Å
127A98.3Very high96.9Very high7 Ų736.5 Ų36.56%0.05822%0.218CC..Hα-helixtrans-65.6-17.5176.900000114H125 F150 S174H125-A127 PolarHBondContact O-N 3.44Å; H125-A127 VanDerWaalsContact O-N 3.09Å; A127-F150 HydrophobicContact CB-CB 3.59Å; A127-F150 HydrophobicContact CB-CD1 4.02Å; A127-F150 HydrophobicContact CB-CD2 4.2Å; A127-F150 HydrophobicContact CB-CG 3.69Å; A127-S174 WeakPolarHBondContact O-CB 3.17Å; A127-S174 PolarHBondContact O-OG 3.46Å
128E98.7Very high96.7Very high1 Ų140.9 Ų40.91%0.00524%0.242CC..Hα-helixtrans-68.7-52.3174.3169.158.7-173.900111.4L122 R123 H125 V126 F150 H173 S174 S175L122-E128 HydrophobicContact CB-CB 4.38Å; L122-E128 HydrophobicContact CB-CG 3.94Å; L122-E128 WeakPolarHBondContact O-CB 3.36Å; R123-E128 HydrophobicContact CG-CG 4.04Å; H125-E128 WeakPolarHBondContact O-CB 3.5Å; H125-E128 PolarHBondContact O-N 2.76Å; V126-E128 PolarHBondContact O-N 3.06Å; E128-F150 HydrophobicContact CB-CE1 4.1Å; E128-F150 HydrophobicContact CB-CZ 4.31Å; E128-H173 CarbonylContact O-C 3.54Å; E128-H173 VanDerWaalsContact O-CA 3.28Å; E128-H173 WeakPolarHBondContact O-CA 3.29Å; E128-H173 VanDerWaalsContact O-CB 3.24Å; E128-H173 WeakPolarHBondContact O-CB 3.35Å; E128-H173 WeakPolarHBondContact OE1-CB 3.46Å; E128-H173 IonicContact OE1-ND1 3.84Å; E128-S174 PolarHBondContact O-N 3.16Å; E128-S175 PolarHBondContact OE1-OG 3.18Å; E128-S175 WeakPolarHBondContact OE2-CB 3.41Å; E128-S175 PolarHBondContact OE2-N 3.26Å; E128-S175 PolarHBondContact OE2-OG 3.07Å
129E98.1Very high96.6Very high39 Ų3950.3 Ų50.318%0.18228%0.283CS..Hα-helixtrans-92.6-11.6-177.8-51.6-164.89100112.8R123 V126 K131 H173R123-E129 WeakPolarHBondContact CD-OE2 3.44Å; R123-E129 HydrophobicContact CG-CG 3.96Å; R123-E129 IonicContact CZ-OE1 2.7Å; R123-E129 VanDerWaalsContact NE-CD 3.29Å; R123-E129 IonicContact NE-OE1 3.6Å; R123-E129 PolarHBondContact NE-OE1 2.89Å; R123-E129 IonicContact NE-OE2 3.63Å; R123-E129 IonicContact NH2-OE1 2.67Å; V126-E129 PolarHBondContact O-N 2.77Å; E129-K131 PolarHBondContact O-N 2.86Å; E129-H173 IonicContact OE1-CE1 2.65Å; E129-H173 PolarHBondContact OE1-CE1 3.41Å; E129-H173 VanDerWaalsContact OE1-CE1 3.27Å; E129-H173 IonicContact OE1-NE2 3.46Å
130G97.6Very high96.4Very high25 Ų2552.6 Ų52.626%0.25830%0.297SS..SBendtrans74.5-8.2-175.400000114.4V126 K141 A142V126-G130 WeakPolarHBondContact O-CA 3.48Å; V126-G130 PolarHBondContact O-N 3Å; G130-K141 WeakPolarHBondContact O-CG 3.43Å; G130-A142 PolarHBondContact O-N 3.3Å
131K96.4Very high96.3Very high152 Ų15260.8 Ų60.866%0.66133%0.332SS*.EExtended strand (participates in β ladder)trans-150.6154.2179.165.2-174.8178.3-1740110.4E129 T140E129-K131 PolarHBondContact O-N 2.86Å; K131-T140 CarbonylContact C-O 3.51Å; K131-T140 VanDerWaalsContact CA-O 3.29Å; K131-T140 WeakPolarHBondContact CA-O 3.29Å
132G95.8Very high96.2Very high13 Ų1361.2 Ų61.213%0.13434%0.336CS..EExtended strand (participates in β ladder)trans-162.9-157.4-178.700000112.2D68 T140D68-G132 CarbonylContact O-C 3.58Å; D68-G132 VanDerWaalsContact O-CA 3.23Å; D68-G132 WeakPolarHBondContact O-CA 3.49Å; G132-T140 WeakPolarHBondContact CA-OG1 3.23Å; G132-T140 PolarHBondContact N-O 2.65Å; G132-T140 PolarHBondContact O-N 3.3Å; G132-T140 PolarHBondContact O-OG1 3.01Å
133K95.8Very high96.1Very high99 Ų9964.4 Ų64.443%0.4336%0.356SS..EExtended strand (participates in β ladder)trans-133.8142.7170.4-64.4179.5-174.9170.70109.4D68 N70 N138 T140D68-K133 HydrophobicContact CB-CB 4.18Å; D68-K133 PolarHBondContact O-N 3.44Å; N70-K133 PolarHBondContact ND2-O 3.22Å; N70-K133 PolarHBondContact OD1-O 3.22Å; K133-N138 CarbonylContact C-O 3.54Å; K133-N138 WeakPolarHBondContact CA-O 3.35Å; K133-T140 PolarHBondContact N-OG1 3.48Å
134D91.3Very high96.1Very high49 Ų4969 Ų6926%0.26238%0.378SS..  trans-73171.2169.77113.7000110.8A136 G137 N138 T140D134-A136 PolarHBondContact O-N 3.49Å; D134-A136 VanDerWaalsContact O-N 3.11Å; D134-A136 VanDerWaalsContact OD1-C 3.25Å; D134-A136 VanDerWaalsContact OD1-CA 3.29Å; D134-A136 WeakPolarHBondContact OD1-CA 3.29Å; D134-A136 WeakPolarHBondContact OD1-CB 3.38Å; D134-A136 PolarHBondContact OD1-N 2.9Å; D134-G137 PolarHBondContact O-N 2.73Å; D134-G137 PolarHBondContact OD1-N 3.11Å; D134-N138 PolarHBondContact N-O 2.94Å; D134-N138 PolarHBondContact OD1-N 3.32Å; D134-N138 PolarHBondContact OD1-ND2 3.11Å; D134-N138 WeakPolarHBondContact OD2-CB 3.46Å; D134-N138 PolarHBondContact OD2-ND2 3.06Å; D134-T140 HydrophobicContact CB-CG2 3.85Å
135P90.4Very high96.1Very high125 Ų12574.4 Ų74.481%0.81240%0.403SS*.THydrogen-bonded Turntrans-60.5-18176.6-2737.1000114.7N70 G137N70-P135 WeakPolarHBondContact OD1-CD 3.41Å; P135-G137 VanDerWaalsContact C-N 3.35Å
136A92.6Very high96Very high83 Ų8376.9 Ų76.969%0.68642%0.415SS*.THydrogen-bonded Turntrans-87.1-4.1174.200000112.9D134D134-A136 PolarHBondContact O-N 3.49Å; D134-A136 VanDerWaalsContact O-N 3.11Å; D134-A136 VanDerWaalsContact OD1-C 3.25Å; D134-A136 VanDerWaalsContact OD1-CA 3.29Å; D134-A136 WeakPolarHBondContact OD1-CA 3.29Å; D134-A136 WeakPolarHBondContact OD1-CB 3.38Å; D134-A136 PolarHBondContact OD1-N 2.9Å
137G92.6Very high96Very high47 Ų4776.1 Ų76.149%0.48541%0.41SS..SBendtrans89.44.1178.800000115D134 P135D134-G137 PolarHBondContact O-N 2.73Å; D134-G137 PolarHBondContact OD1-N 3.11Å; P135-G137 VanDerWaalsContact C-N 3.35Å
138N95.1Very high96Very high97 Ų9779.4 Ų79.452%0.51943%0.427SS..  trans-75.9143.4178.1-51.8-58.7000110.7K133 D134 T140K133-N138 CarbonylContact C-O 3.54Å; K133-N138 WeakPolarHBondContact CA-O 3.35Å; D134-N138 PolarHBondContact N-O 2.94Å; D134-N138 PolarHBondContact OD1-N 3.32Å; D134-N138 PolarHBondContact OD1-ND2 3.11Å; D134-N138 WeakPolarHBondContact OD2-CB 3.46Å; D134-N138 PolarHBondContact OD2-ND2 3.06Å; N138-T140 PolarHBondContact O-N 3.36Å
139K96.3Very high96Very high199 Ų19983.4 Ų83.487%0.86546%0.455SS*.EExtended strand (participates in β ladder)trans-64.2129.5177.9-67.5178.5-179.41740110.6
140T95.1Very high96.1Very high48 Ų4882 Ų8229%0.29445%0.449SS..EExtended strand (participates in β ladder)trans-114.8154173.658.20000110.4K131 G132 K133 D134 N138K131-T140 CarbonylContact C-O 3.51Å; K131-T140 VanDerWaalsContact CA-O 3.29Å; K131-T140 WeakPolarHBondContact CA-O 3.29Å; G132-T140 WeakPolarHBondContact CA-OG1 3.23Å; G132-T140 PolarHBondContact N-O 2.65Å; G132-T140 PolarHBondContact O-N 3.3Å; G132-T140 PolarHBondContact O-OG1 3.01Å; K133-T140 PolarHBondContact N-OG1 3.48Å; D134-T140 HydrophobicContact CB-CG2 3.85Å; N138-T140 PolarHBondContact O-N 3.36Å
141K96.8Very high96.1Very high178 Ų17883.8 Ų83.877%0.77445%0.447SS*.EExtended strand (participates in β ladder)trans-135.2133.5176.2-166.3-177.7178.7-175.10108.3G130G130-K141 WeakPolarHBondContact O-CG 3.43Å
142A96.9Very high96.2Very high11 Ų1179 Ų799%0.09144%0.436CS..  trans-66.9140.9173.500000109.7V126 G130V126-A142 HydrophobicContact CG1-CB 4.14Å; G130-A142 PolarHBondContact O-N 3.3Å
143T97.7Very high96.4Very high66 Ų6678.8 Ų78.841%0.40543%0.432SS..  trans-71.4164.6166.882.40000110.1E145 Q146 T147T143-E145 VanDerWaalsContact C-N 3.3Å; T143-E145 VanDerWaalsContact CB-OE2 3.28Å; T143-E145 WeakPolarHBondContact CB-OE2 3.37Å; T143-E145 PolarHBondContact OG1-N 3.27Å; T143-E145 PolarHBondContact OG1-OE2 3.25Å; T143-Q146 PolarHBondContact O-N 2.88Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.26Å; T143-Q146 PolarHBondContact OG1-N 2.91Å; T143-T147 PolarHBondContact O-N 2.96Å; T143-T147 VanDerWaalsContact O-N 3.08Å; T143-T147 PolarHBondContact O-OG1 3.03Å
144Q97.6Very high96.5Very high112 Ų11274 Ų7452%0.52341%0.412SS..Hα-helixtrans-62.6-42.6176.2-173.258.149.700110.4Q146 T147 D148Q144-Q146 PolarHBondContact O-N 3.31Å; Q144-T147 WeakPolarHBondContact O-CB 3.36Å; Q144-T147 PolarHBondContact O-N 3.4Å; Q144-T147 VanDerWaalsContact O-N 3.12Å; Q144-D148 VanDerWaalsContact NE2-CG 3.32Å; Q144-D148 PolarHBondContact NE2-OD1 2.94Å; Q144-D148 PolarHBondContact NE2-OD2 2.94Å; Q144-D148 WeakPolarHBondContact O-CB 3.22Å; Q144-D148 VanDerWaalsContact O-CG 3.23Å; Q144-D148 PolarHBondContact O-N 3.49Å
145E97.9Very high96.9Very high135 Ų13572.6 Ų72.663%0.63141%0.405SS*.Hα-helixtrans-62.9-39.9179.1-57.275.8-16500112.3T143 T147 D148 S149T143-E145 VanDerWaalsContact C-N 3.3Å; T143-E145 VanDerWaalsContact CB-OE2 3.28Å; T143-E145 WeakPolarHBondContact CB-OE2 3.37Å; T143-E145 PolarHBondContact OG1-N 3.27Å; T143-E145 PolarHBondContact OG1-OE2 3.25Å; E145-T147 VanDerWaalsContact C-N 3.33Å; E145-D148 PolarHBondContact O-N 3.28Å; E145-S149 VanDerWaalsContact O-CB 3.25Å; E145-S149 WeakPolarHBondContact O-CB 3.4Å; E145-S149 PolarHBondContact O-N 2.85Å
146Q97.5Very high97.3Very high99 Ų9971.8 Ų71.846%0.46339%0.389SS..Hα-helixtrans-63.4-42.6174.4-72.2177.3-43.100111.3T143 Q144 F150T143-Q146 PolarHBondContact O-N 2.88Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.26Å; T143-Q146 PolarHBondContact OG1-N 2.91Å; Q144-Q146 PolarHBondContact O-N 3.31Å; Q146-F150 VanDerWaalsContact O-CB 3.26Å; Q146-F150 WeakPolarHBondContact O-CB 3.25Å; Q146-F150 PolarHBondContact O-N 3.37Å
147T98.3Very high97.6Very high13 Ų1367.9 Ų67.98%0.0836%0.357CS..Hα-helixtrans-64.6-45.3178.4-56.50000111T143 Q144 E145 F150 R151T143-T147 PolarHBondContact O-N 2.96Å; T143-T147 VanDerWaalsContact O-N 3.08Å; T143-T147 PolarHBondContact O-OG1 3.03Å; Q144-T147 WeakPolarHBondContact O-CB 3.36Å; Q144-T147 PolarHBondContact O-N 3.4Å; Q144-T147 VanDerWaalsContact O-N 3.12Å; E145-T147 VanDerWaalsContact C-N 3.33Å; T147-F150 PolarHBondContact O-N 3.08Å; T147-R151 WeakPolarHBondContact O-CB 3.39Å; T147-R151 WeakPolarHBondContact O-CG 3.48Å; T147-R151 PolarHBondContact O-N 3.12Å
148D98.4Very high97.8Very high77 Ų7765.7 Ų65.741%0.41234%0.335SS..Hα-helixtrans-67.6-43.2-179.5-66.8-20.8000111.7Q144 E145 F150 R151 A152Q144-D148 VanDerWaalsContact NE2-CG 3.32Å; Q144-D148 PolarHBondContact NE2-OD1 2.94Å; Q144-D148 PolarHBondContact NE2-OD2 2.94Å; Q144-D148 WeakPolarHBondContact O-CB 3.22Å; Q144-D148 VanDerWaalsContact O-CG 3.23Å; Q144-D148 PolarHBondContact O-N 3.49Å; E145-D148 PolarHBondContact O-N 3.28Å; D148-F150 PolarHBondContact O-N 3.08Å; D148-R151 PolarHBondContact O-N 3.27Å; D148-A152 VanDerWaalsContact O-CB 3.29Å; D148-A152 WeakPolarHBondContact O-CB 3.45Å; D148-A152 PolarHBondContact O-N 3.46Å
149S98.4Very high98Very high84 Ų8464 Ų6459%0.58733%0.325SS*.Hα-helixtrans-62.3-43.6176-176.30000112E145 A152 S153E145-S149 VanDerWaalsContact O-CB 3.25Å; E145-S149 WeakPolarHBondContact O-CB 3.4Å; E145-S149 PolarHBondContact O-N 2.85Å; S149-A152 PolarHBondContact O-N 3.02Å; S149-S153 PolarHBondContact O-N 3.49Å
150F98.8Very high98.1Very high11 Ų1154.6 Ų54.65%0.04828%0.284CS..Hα-helixtrans-60.9-47.8176.6-175.5-102.7000111.6V100 L122 H125 A127 E128 Q146 T147 D148 S153 L154V100-F150 HydrophobicContact CB-CD2 4.31Å; V100-F150 HydrophobicContact CB-CE2 4.36Å; V100-F150 HydrophobicContact CG1-CD2 3.6Å; V100-F150 HydrophobicContact CG1-CE2 3.54Å; V100-F150 HydrophobicContact CG1-CG 4.36Å; V100-F150 HydrophobicContact CG1-CZ 4.28Å; V100-F150 HydrophobicContact CG2-CD2 3.86Å; V100-F150 HydrophobicContact CG2-CE2 3.87Å; L122-F150 HydrophobicContact CD2-CZ 3.96Å; H125-F150 HydrophobicContact CB-CD2 4.01Å; H125-F150 HydrophobicContact CB-CE2 3.49Å; H125-F150 VanDerWaalsContact CB-CE2 3.49Å; H125-F150 HydrophobicContact CB-CZ 4.01Å; H125-F150 AromaticContact CD2-CE2 3.76Å; H125-F150 AromaticContact CG-CE2 3.52Å; A127-F150 HydrophobicContact CB-CB 3.59Å; A127-F150 HydrophobicContact CB-CD1 4.02Å; A127-F150 HydrophobicContact CB-CD2 4.2Å; A127-F150 HydrophobicContact CB-CG 3.69Å; E128-F150 HydrophobicContact CB-CE1 4.1Å; E128-F150 HydrophobicContact CB-CZ 4.31Å; Q146-F150 VanDerWaalsContact O-CB 3.26Å; Q146-F150 WeakPolarHBondContact O-CB 3.25Å; Q146-F150 PolarHBondContact O-N 3.37Å; T147-F150 PolarHBondContact O-N 3.08Å; D148-F150 PolarHBondContact O-N 3.08Å; F150-S153 PolarHBondContact O-N 3.07Å; F150-L154 HydrophobicContact CD1-CD1 3.99Å; F150-L154 HydrophobicContact CE1-CD1 3.58Å; F150-L154 HydrophobicContact CE1-CG 4.3Å; F150-L154 HydrophobicContact CZ-CD1 4.14Å; F150-L154 WeakPolarHBondContact O-CG 3.48Å; F150-L154 PolarHBondContact O-N 3.09Å
151R98.8Very high98.3Very high62 Ų6252.4 Ų52.423%0.23427%0.271CS..Hα-helixtrans-61.8-42.8176.6-75173.4-178.5-168.40.8112.8T147 D148 S153 L154 S155 S174 G178T147-R151 WeakPolarHBondContact O-CB 3.39Å; T147-R151 WeakPolarHBondContact O-CG 3.48Å; T147-R151 PolarHBondContact O-N 3.12Å; D148-R151 PolarHBondContact O-N 3.27Å; R151-S153 VanDerWaalsContact C-N 3.33Å; R151-S153 PolarHBondContact O-N 3.34Å; R151-L154 PolarHBondContact O-N 3.43Å; R151-S155 WeakPolarHBondContact O-CB 3.43Å; R151-S155 PolarHBondContact O-N 2.74Å; R151-S155 PolarHBondContact O-OG 3.14Å; R151-S174 PolarHBondContact NE-OG 3.5Å; R151-G178 WeakPolarHBondContact CB-O 3.39Å
152A98.8Very high98.4Very high52 Ų5244 Ų4443%0.4323%0.234SC..Hα-helixtrans-62.2-42.1176.200000111.3D148 S149 S155 K156D148-A152 VanDerWaalsContact O-CB 3.29Å; D148-A152 WeakPolarHBondContact O-CB 3.45Å; D148-A152 PolarHBondContact O-N 3.46Å; S149-A152 PolarHBondContact O-N 3.02Å; A152-S155 PolarHBondContact O-N 2.94Å; A152-K156 WeakPolarHBondContact O-CG 3.29Å; A152-K156 PolarHBondContact O-N 3.28Å
153S98.8Very high98.5Very high7 Ų743.4 Ų43.45%0.04923%0.23CC..Hα-helixtrans-63.5-46.3177-166.50000111.9V100 G101 E105 S149 F150 R151 S155 K156 L157V100-S153 WeakPolarHBondContact CB-OG 3.46Å; G101-S153 PolarHBondContact N-OG 3.16Å; E105-S153 WeakPolarHBondContact OE1-CB 3.33Å; E105-S153 PolarHBondContact OE1-OG 3.06Å; S149-S153 PolarHBondContact O-N 3.49Å; F150-S153 PolarHBondContact O-N 3.07Å; R151-S153 VanDerWaalsContact C-N 3.33Å; R151-S153 PolarHBondContact O-N 3.34Å; S153-S155 VanDerWaalsContact C-N 3.3Å; S153-S155 PolarHBondContact O-N 3.08Å; S153-K156 PolarHBondContact O-N 3.49Å; S153-L157 WeakPolarHBondContact O-CG 3.44Å
154L98.8Very high98.5Very high0 Ų040.3 Ų40.30%021%0.211CC..Hα-helixtrans-58.3-41.8174.1-67.5178.7000112.1I20 M61 V100 L122 F150 R151 K156 L157 V179I20-L154 HydrophobicContact CD1-CB 4.42Å; I20-L154 VanDerWaalsContact CD1-O 3.22Å; I20-L154 WeakPolarHBondContact CD1-O 3.23Å; M61-L154 HydrophobicContact SD-CD1 4.31Å; M61-L154 HydrophobicContact SD-CD2 4.1Å; V100-L154 HydrophobicContact CG1-CD2 3.77Å; V100-L154 HydrophobicContact CG1-CG 3.98Å; L122-L154 HydrophobicContact CD2-CD1 4.3Å; L122-L154 HydrophobicContact CD2-CD2 3.98Å; F150-L154 HydrophobicContact CD1-CD1 3.99Å; F150-L154 HydrophobicContact CE1-CD1 3.58Å; F150-L154 HydrophobicContact CE1-CG 4.3Å; F150-L154 HydrophobicContact CZ-CD1 4.14Å; F150-L154 WeakPolarHBondContact O-CG 3.48Å; F150-L154 PolarHBondContact O-N 3.09Å; R151-L154 PolarHBondContact O-N 3.43Å; L154-K156 PolarHBondContact O-N 3.02Å; L154-L157 HydrophobicContact CD2-CD1 4.33Å; L154-L157 WeakPolarHBondContact O-CG 3.48Å; L154-L157 PolarHBondContact O-N 3.05Å; L154-L157 VanDerWaalsContact O-N 3.12Å; L154-V179 HydrophobicContact CB-CG2 4.46Å
155S98.8Very high98.5Very high18 Ų1835 Ų3513%0.12619%0.186CC..Hα-helixtrans-65.5-25.1-177.7-54.40000113R151 A152 S153 L157 V179 D180R151-S155 WeakPolarHBondContact O-CB 3.43Å; R151-S155 PolarHBondContact O-N 2.74Å; R151-S155 PolarHBondContact O-OG 3.14Å; A152-S155 PolarHBondContact O-N 2.94Å; S153-S155 VanDerWaalsContact C-N 3.3Å; S153-S155 PolarHBondContact O-N 3.08Å; S155-L157 VanDerWaalsContact C-N 3.27Å; S155-L157 PolarHBondContact O-N 3.23Å; S155-V179 WeakPolarHBondContact OG-CA 3.38Å; S155-D180 PolarHBondContact OG-N 3.12Å
156K98.7Very high98.4Very high109 Ų10928.6 Ų28.647%0.47416%0.156SC..THydrogen-bonded Turntrans-72.3-17.6175.8-69.1167.9-179174.20113.8R18 E105 A152 S153 L154 G158R18-K156 PolarHBondContact NH1-O 3.25Å; R18-K156 PolarHBondContact NH2-O 2.67Å; R18-K156 VanDerWaalsContact NH2-O 3.15Å; E105-K156 HydrophobicContact CG-CB 4.4Å; E105-K156 HydrophobicContact CG-CD 4.03Å; E105-K156 WeakPolarHBondContact OE1-CD 3.47Å; E105-K156 IonicContact OE1-NZ 2.84Å; E105-K156 PolarHBondContact OE1-NZ 2.81Å; E105-K156 WeakPolarHBondContact OE2-CD 3.2Å; E105-K156 IonicContact OE2-NZ 3.04Å; E105-K156 PolarHBondContact OE2-NZ 3.41Å; A152-K156 WeakPolarHBondContact O-CG 3.29Å; A152-K156 PolarHBondContact O-N 3.28Å; S153-K156 PolarHBondContact O-N 3.49Å; L154-K156 PolarHBondContact O-N 3.02Å; K156-G158 VanDerWaalsContact C-N 3.27Å; K156-G158 PolarHBondContact O-N 2.97Å
157L98.7Very high98.2Very high0 Ų024.5 Ų24.50%014%0.14CC..THydrogen-bonded Turntrans-81.8-5.4-170.8-45.1-179.6000113.4I20 V59 V104 E105 C108 L119 S153 L154 S155I20-L157 HydrophobicContact CD1-CB 4.15Å; I20-L157 HydrophobicContact CD1-CD1 4.41Å; V59-L157 HydrophobicContact CG1-CB 4.33Å; V59-L157 HydrophobicContact CG1-CD1 4.48Å; V104-L157 HydrophobicContact CG1-CD1 4.03Å; V104-L157 HydrophobicContact CG1-CD2 4Å; E105-L157 HydrophobicContact CB-CD2 4.5Å; E105-L157 HydrophobicContact CG-CD2 4.02Å; C108-L157 HydrophobicContact CB-CB 4.12Å; C108-L157 HydrophobicContact CB-CD2 3.9Å; L119-L157 HydrophobicContact CD1-CD1 3.56Å; S153-L157 WeakPolarHBondContact O-CG 3.44Å; L154-L157 HydrophobicContact CD2-CD1 4.33Å; L154-L157 WeakPolarHBondContact O-CG 3.48Å; L154-L157 PolarHBondContact O-N 3.05Å; L154-L157 VanDerWaalsContact O-N 3.12Å; S155-L157 VanDerWaalsContact C-N 3.27Å; S155-L157 PolarHBondContact O-N 3.23Å
158G98.4Very high98.1Very high2 Ų224 Ų242%0.02114%0.137CC..  trans-148.6172.5178.900000112.9R18 K156R18-G158 PolarHBondContact NH2-O 3.09Å; R18-G158 CarbonylContact O-C 3.58Å; R18-G158 WeakPolarHBondContact O-CA 3.4Å; K156-G158 VanDerWaalsContact C-N 3.27Å; K156-G158 PolarHBondContact O-N 2.97Å
159D98.6Very high98.1Very high60 Ų6020.4 Ų20.432%0.32112%0.118SC..SBendtrans-108.5-24.4171.4-44.6-41.6000110.5K17 R18K17-D159 HydrophobicContact CB-CB 4.48Å; K17-D159 HydrophobicContact CD-CB 4.27Å; R18-D159 WeakPolarHBondContact CB-OD2 3.41Å; R18-D159 IonicContact CZ-OD1 2.61Å; R18-D159 PolarHBondContact N-OD2 3.39Å; R18-D159 IonicContact NE-OD1 3.68Å; R18-D159 PolarHBondContact NE-OD1 3.1Å; R18-D159 IonicContact NE-OD2 2.72Å; R18-D159 IonicContact NH2-OD1 3.62Å; R18-D159 PolarHBondContact NH2-OD1 3.42Å; R18-D159 PolarHBondContact O-N 3.43Å
160V98.7Very high97.9Very high2 Ų217.8 Ų17.81%0.01210%0.097CC..EExtended strand (participates in β ladder)trans-129.4136.9175.3175.70000109V12 R18 I20 V162 Q183V12-V160 HydrophobicContact CG1-CG1 3.78Å; V12-V160 HydrophobicContact CG1-CG2 4.14Å; R18-V160 PolarHBondContact O-N 3.23Å; I20-V160 PolarHBondContact N-O 3.4Å; V160-V162 HydrophobicContact CG1-CG2 4.34Å; V160-Q183 HydrophobicContact CG1-CB 4.37Å
161Y98.9Very high97.8Very high3 Ų321.8 Ų21.81%0.01211%0.111CC..EExtended strand (participates in β ladder)trans-99.1133.4171.8171.8-109.6000111.3I20 R22 M61 N163 S175 V179 Q183 K184 A185I20-Y161 HydrophobicContact CG2-CD2 4.23Å; I20-Y161 CarbonylContact O-C 3.58Å; I20-Y161 WeakPolarHBondContact O-CA 3.31Å; R22-Y161 HydrophobicContact CB-CE2 4.01Å; M61-Y161 HydrophobicContact CE-CD2 4.05Å; M61-Y161 HydrophobicContact CE-CE2 3.54Å; Y161-N163 HydrophobicContact CE1-CB 3.75Å; Y161-N163 WeakPolarHBondContact OH-CB 3.41Å; Y161-N163 VanDerWaalsContact OH-CG 3.31Å; Y161-N163 PolarHBondContact OH-ND2 3.48Å; Y161-S175 PolarHBondContact OH-O 2.86Å; Y161-V179 HydrophobicContact CD2-CB 4.02Å; Y161-V179 HydrophobicContact CD2-CG1 3.88Å; Y161-V179 HydrophobicContact CD2-CG2 4.07Å; Y161-V179 HydrophobicContact CE2-CB 4.38Å; Y161-V179 HydrophobicContact CE2-CG2 4.09Å; Y161-V179 HydrophobicContact CG-CB 4.2Å; Y161-V179 HydrophobicContact CG-CG1 3.99Å; Y161-Q183 PolarHBondContact N-O 3.29Å; Y161-K184 HydrophobicContact CD1-CB 3.8Å; Y161-K184 HydrophobicContact CD1-CD 4.48Å; Y161-K184 HydrophobicContact CD1-CG 3.75Å; Y161-K184 HydrophobicContact CG-CG 4.37Å; Y161-K184 WeakPolarHBondContact O-CA 3.31Å; Y161-A185 PolarHBondContact O-N 3.15Å
162V98.9Very high97.7Very high0 Ų021.9 Ų21.90%013%0.126CC..EExtended strand (participates in β ladder)trans-122.1122.9173-179.40000109.6L9 V19 I20 M21 R22 V160 A185L9-V162 HydrophobicContact CD1-CG2 3.81Å; V19-V162 HydrophobicContact CG1-CB 4.26Å; V19-V162 HydrophobicContact CG1-CG2 3.59Å; I20-V162 PolarHBondContact O-N 3.21Å; M21-V162 CarbonylContact C-O 3.58Å; M21-V162 VanDerWaalsContact CA-O 3.22Å; M21-V162 WeakPolarHBondContact CA-O 3.34Å; M21-V162 HydrophobicContact CB-CB 4.19Å; M21-V162 HydrophobicContact CE-CB 4.18Å; M21-V162 HydrophobicContact CE-CG1 4Å; M21-V162 HydrophobicContact CG-CB 3.93Å; M21-V162 HydrophobicContact CG-CG1 3.99Å; M21-V162 HydrophobicContact SD-CG1 4.47Å; R22-V162 PolarHBondContact N-O 3.4Å; V160-V162 HydrophobicContact CG1-CG2 4.34Å; V162-A185 CarbonylContact C-O 3.5Å; V162-A185 VanDerWaalsContact CA-O 3.3Å; V162-A185 WeakPolarHBondContact CA-O 3.22Å
163N98.8Very high97.7Very high0 Ų020.2 Ų20.20%011%0.109CC..EExtended strand (participates in β ladder)trans-99.2112.7171.4-165.5-9.4000109.9Y161 A165 A185 A186 G187 M190 G410 L414Y161-N163 HydrophobicContact CE1-CB 3.75Å; Y161-N163 WeakPolarHBondContact OH-CB 3.41Å; Y161-N163 VanDerWaalsContact OH-CG 3.31Å; Y161-N163 PolarHBondContact OH-ND2 3.48Å; N163-A165 PolarHBondContact OD1-N 2.85Å; N163-A185 PolarHBondContact N-O 3.49Å; N163-A186 WeakPolarHBondContact O-CA 3.45Å; N163-G187 PolarHBondContact O-N 3.37Å; N163-M190 HydrophobicContact CB-CE 4.21Å; N163-M190 WeakPolarHBondContact O-CB 3.45Å; N163-G410 PolarHBondContact ND2-O 3.35Å; N163-L414 HydrophobicContact CB-CD2 3.94Å
164D98.5Very high97.7Very high1 Ų120 Ų201%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-11921.9174.7-143.724.4000112.3R22 V23 S46 G187 F188 L189 M190R22-D164 CarbonylContact O-C 3.49Å; R22-D164 WeakPolarHBondContact O-CA 3.37Å; R22-D164 PolarHBondContact O-N 2.86Å; V23-D164 HydrophobicContact CG1-CB 4.47Å; S46-D164 VanDerWaalsContact CB-OD2 3.24Å; S46-D164 WeakPolarHBondContact CB-OD2 3.44Å; S46-D164 PolarHBondContact OG-OD2 2.95Å; D164-G187 WeakPolarHBondContact OD1-CA 3.44Å; D164-F188 PolarHBondContact OD1-N 2.94Å; D164-L189 WeakPolarHBondContact OD1-CA 3.2Å; D164-L189 VanDerWaalsContact OD1-CB 3.27Å; D164-L189 WeakPolarHBondContact OD1-CB 3.39Å; D164-L189 PolarHBondContact OD1-N 3.42Å; D164-M190 PolarHBondContact OD1-N 2.82Å
165A97.6Very high97.7Very high0 Ų020 Ų200%011%0.107CC..  trans-115.462.8-176.100000112.3R22 D24 N163 G167 T168 A169 M176R22-A165 HydrophobicContact CG-CB 3.9Å; R22-A165 PolarHBondContact O-N 2.76Å; D24-A165 HydrophobicContact CB-CB 4.13Å; N163-A165 PolarHBondContact OD1-N 2.85Å; A165-G167 PolarHBondContact O-N 3.07Å; A165-G167 VanDerWaalsContact O-N 3.15Å; A165-T168 PolarHBondContact O-N 2.95Å; A165-A169 PolarHBondContact O-N 3.23Å; A165-M176 HydrophobicContact CB-CE 4.18Å
166F96.2Very high97.7Very high1 Ų119.3 Ų19.30%0.00410%0.102CC..G310 helixtrans-53.1-38.3-178.4-179.2-110000113.3T168 A169 L189 M190 E193 F197 G395 A398 L402 L408F166-T168 PolarHBondContact O-N 2.75Å; F166-A169 HydrophobicContact CD2-CB 4.5Å; F166-A169 VanDerWaalsContact O-CB 3.29Å; F166-A169 WeakPolarHBondContact O-CB 3.36Å; F166-A169 PolarHBondContact O-N 3.2Å; F166-L189 HydrophobicContact CB-CD2 4.05Å; F166-M190 HydrophobicContact CB-CE 4.07Å; F166-M190 HydrophobicContact CB-SD 3.89Å; F166-M190 HydrophobicContact CD2-CE 4.47Å; F166-M190 HydrophobicContact CD2-SD 3.59Å; F166-M190 VanDerWaalsContact CD2-SD 3.59Å; F166-M190 HydrophobicContact CG-SD 4.21Å; F166-E193 HydrophobicContact CB-CB 4.22Å; F166-E193 HydrophobicContact CB-CG 3.78Å; F166-E193 HydrophobicContact CD1-CB 3.74Å; F166-E193 HydrophobicContact CD1-CG 3.49Å; F166-E193 VanDerWaalsContact CD1-CG 3.49Å; F166-E193 HydrophobicContact CD2-CB 3.82Å; F166-E193 HydrophobicContact CD2-CG 4.28Å; F166-E193 HydrophobicContact CE1-CB 4Å; F166-E193 HydrophobicContact CE1-CG 4.13Å; F166-E193 HydrophobicContact CE2-CB 4.05Å; F166-E193 HydrophobicContact CG-CB 3.65Å; F166-E193 HydrophobicContact CG-CG 3.59Å; F166-E193 HydrophobicContact CZ-CB 4.15Å; F166-F197 HydrophobicContact CE1-CD2 4.24Å; F166-F197 AromaticContact CE1-CE2 3.78Å; F166-F197 HydrophobicContact CE1-CE2 3.78Å; F166-F197 AromaticContact CZ-CD2 3.86Å; F166-F197 HydrophobicContact CZ-CD2 3.86Å; F166-F197 AromaticContact CZ-CE2 3.83Å; F166-F197 HydrophobicContact CZ-CE2 3.83Å; F166-G395 VanDerWaalsContact CD1-CA 3.44Å; F166-A398 HydrophobicContact CD1-CB 4.42Å; F166-A398 HydrophobicContact CE1-CB 4.21Å; F166-A398 HydrophobicContact CZ-CB 4.4Å; F166-A398 WeakPolarHBondContact O-CB 3.3Å; F166-L402 HydrophobicContact CE2-CD2 4.21Å; F166-L402 HydrophobicContact CZ-CD2 3.9Å; F166-L408 HydrophobicContact CD2-CD1 4.45Å; F166-L408 HydrophobicContact CE2-CD1 3.63Å; F166-L408 HydrophobicContact CZ-CD1 4.05Å
167G93.1Very high97.7Very high13 Ų1316.4 Ų16.413%0.1349%0.093CC..G310 helixtrans-59.5-17.317700000115.8A165 H170A165-G167 PolarHBondContact O-N 3.07Å; A165-G167 VanDerWaalsContact O-N 3.15Å; G167-H170 PolarHBondContact O-CE1 2.89Å; G167-H170 PolarHBondContact O-ND1 3.41Å
168T96.3Very high97.6Very high3 Ų317 Ų172%0.01810%0.099CC..G310 helixtrans-105.9-4.7175.5-49.10000112.5A165 F166 H170 R171 M176A165-T168 PolarHBondContact O-N 2.95Å; F166-T168 PolarHBondContact O-N 2.75Å; T168-H170 VanDerWaalsContact C-N 3.26Å; T168-H170 PolarHBondContact O-N 2.81Å; T168-R171 HydrophobicContact CG2-CB 4.43Å; T168-R171 WeakPolarHBondContact O-CB 3.46Å; T168-R171 PolarHBondContact O-N 2.9Å; T168-M176 HydrophobicContact CG2-CG 3.99Å; T168-M176 HydrophobicContact CG2-SD 4.14Å
169A97Very high97.7Very high0 Ų017 Ų170%010%0.099CC..THydrogen-bonded Turntrans-67.8-20.3-171.900000114.8A165 F166 R171 M190 L408 P409 G410 V411A165-A169 PolarHBondContact O-N 3.23Å; F166-A169 HydrophobicContact CD2-CB 4.5Å; F166-A169 VanDerWaalsContact O-CB 3.29Å; F166-A169 WeakPolarHBondContact O-CB 3.36Å; F166-A169 PolarHBondContact O-N 3.2Å; A169-R171 PolarHBondContact O-N 3.11Å; A169-M190 HydrophobicContact CB-CE 4.14Å; A169-L408 HydrophobicContact CB-CB 4.44Å; A169-L408 HydrophobicContact CB-CD1 4.37Å; A169-L408 CarbonylContact O-C 3.43Å; A169-P409 WeakPolarHBondContact O-CD 3.21Å; A169-G410 PolarHBondContact O-N 2.8Å; A169-V411 HydrophobicContact CB-CG2 4.07Å
170H95.3Very high97.6Very high30 Ų3020.4 Ų20.414%0.13912%0.117CC..THydrogen-bonded Turntrans-69.6-8.2171.365.4-73.4000113.5G167 T168 A398 E401 L408 P409G167-H170 PolarHBondContact O-CE1 2.89Å; G167-H170 PolarHBondContact O-ND1 3.41Å; T168-H170 VanDerWaalsContact C-N 3.26Å; T168-H170 PolarHBondContact O-N 2.81Å; H170-A398 HydrophobicContact CB-CB 4.18Å; H170-E401 IonicContact CD2-OE1 2.9Å; H170-E401 PolarHBondContact CD2-OE1 3.39Å; H170-E401 VanDerWaalsContact CD2-OE1 3.32Å; H170-E401 IonicContact CG-OE1 3.55Å; H170-L408 HydrophobicContact CB-CD2 3.84Å; H170-P409 WeakPolarHBondContact O-CD 3.48Å
171R95.6Very high97.6Very high94 Ų9421.1 Ų21.136%0.35512%0.121SC..SBendtrans-106.8132.1-175.9-51.1-169.3172.6-129.2-7.6111T168 A169 H173 M176T168-R171 HydrophobicContact CG2-CB 4.43Å; T168-R171 WeakPolarHBondContact O-CB 3.46Å; T168-R171 PolarHBondContact O-N 2.9Å; A169-R171 PolarHBondContact O-N 3.11Å; R171-H173 WeakPolarHBondContact CD-CE1 3.36Å; R171-H173 WeakPolarHBondContact CD-NE2 3.3Å; R171-H173 PolarHBondContact O-N 3.48Å; R171-M176 WeakPolarHBondContact O-CB 3.42Å
172A97.5Very high97.5Very high65 Ų6526.5 Ų26.554%0.53716%0.156SC..  trans-79.146.1172.400000112.3P409A172-P409 HydrophobicContact CB-CB 4.01Å; A172-P409 HydrophobicContact CB-CG 4.16Å
173H98.6Very high97.5Very high17 Ų1730.2 Ų30.28%0.07917%0.173CC..  trans-77.8158.3179.1-71.2-169.4000111.9E128 E129 R171 S175 M176 V177E128-H173 CarbonylContact O-C 3.54Å; E128-H173 VanDerWaalsContact O-CA 3.28Å; E128-H173 WeakPolarHBondContact O-CA 3.29Å; E128-H173 VanDerWaalsContact O-CB 3.24Å; E128-H173 WeakPolarHBondContact O-CB 3.35Å; E128-H173 WeakPolarHBondContact OE1-CB 3.46Å; E128-H173 IonicContact OE1-ND1 3.84Å; E129-H173 IonicContact OE1-CE1 2.65Å; E129-H173 PolarHBondContact OE1-CE1 3.41Å; E129-H173 VanDerWaalsContact OE1-CE1 3.27Å; E129-H173 IonicContact OE1-NE2 3.46Å; R171-H173 WeakPolarHBondContact CD-CE1 3.36Å; R171-H173 WeakPolarHBondContact CD-NE2 3.3Å; R171-H173 PolarHBondContact O-N 3.48Å; H173-S175 PolarHBondContact O-N 3.31Å; H173-M176 HydrophobicContact CB-CG 4.29Å; H173-M176 WeakPolarHBondContact O-CB 3.44Å; H173-M176 PolarHBondContact O-N 3.35Å; H173-V177 WeakPolarHBondContact O-CG2 3.46Å; H173-V177 PolarHBondContact O-N 3.4Å
174S98.8Very high97.5Very high2 Ų232.8 Ų32.81%0.01418%0.184CC..Hα-helixtrans-57.2-44.4-177.3-70.50000113.1A127 E128 R151 M176 G178A127-S174 WeakPolarHBondContact O-CB 3.17Å; A127-S174 PolarHBondContact O-OG 3.46Å; E128-S174 PolarHBondContact O-N 3.16Å; R151-S174 PolarHBondContact NE-OG 3.5Å; S174-M176 PolarHBondContact O-N 2.87Å; S174-G178 WeakPolarHBondContact O-CA 3.49Å; S174-G178 PolarHBondContact O-N 2.95Å
175S98.8Very high97.5Very high0 Ų032.7 Ų32.70%018%0.184CC..Hα-helixtrans-66.3-18.3175.869.70000114.8R22 E128 Y161 H173R22-S175 PolarHBondContact NE-OG 2.86Å; E128-S175 PolarHBondContact OE1-OG 3.18Å; E128-S175 WeakPolarHBondContact OE2-CB 3.41Å; E128-S175 PolarHBondContact OE2-N 3.26Å; E128-S175 PolarHBondContact OE2-OG 3.07Å; Y161-S175 PolarHBondContact OH-O 2.86Å; H173-S175 PolarHBondContact O-N 3.31Å
176M98.6Very high97.6Very high3 Ų332.7 Ų32.72%0.01518%0.184CC..Hα-helixtrans-90.5-42.1-179.5-68.9-69.997.500113.1R22 A165 T168 R171 H173 S174R22-M176 HydrophobicContact CB-CE 4.05Å; R22-M176 HydrophobicContact CG-CE 3.1Å; A165-M176 HydrophobicContact CB-CE 4.18Å; T168-M176 HydrophobicContact CG2-CG 3.99Å; T168-M176 HydrophobicContact CG2-SD 4.14Å; R171-M176 WeakPolarHBondContact O-CB 3.42Å; H173-M176 HydrophobicContact CB-CG 4.29Å; H173-M176 WeakPolarHBondContact O-CB 3.44Å; H173-M176 PolarHBondContact O-N 3.35Å; S174-M176 PolarHBondContact O-N 2.87Å
177V98.4Very high97.7Very high49 Ų4932.7 Ų32.730%0.29718%0.184SC..Hα-helixtrans-122.6-11.3-169.4-54.10000113.9H173 P409 A413H173-V177 WeakPolarHBondContact O-CG2 3.46Å; H173-V177 PolarHBondContact O-N 3.4Å; V177-P409 HydrophobicContact CG1-CB 3.84Å; V177-A413 HydrophobicContact CB-CB 4.31Å; V177-A413 HydrophobicContact CG1-CB 4.19Å
178G98.1Very high97.9Very high11 Ų1135 Ų3511%0.11319%0.19CC..  trans-104.8-4.1-168.200000115.6R151 S174 D180R151-G178 WeakPolarHBondContact CB-O 3.39Å; S174-G178 WeakPolarHBondContact O-CA 3.49Å; S174-G178 PolarHBondContact O-N 2.95Å; G178-D180 PolarHBondContact O-N 3.23Å
179V98.5Very high97.8Very high4 Ų436 Ų362%0.02420%0.196CC..  trans-76.9111.7174.9-178.20000108.8I20 M61 L154 S155 Y161 L181I20-V179 HydrophobicContact CG2-CG1 4.28Å; M61-V179 HydrophobicContact CE-CG2 3.87Å; L154-V179 HydrophobicContact CB-CG2 4.46Å; S155-V179 WeakPolarHBondContact OG-CA 3.38Å; Y161-V179 HydrophobicContact CD2-CB 4.02Å; Y161-V179 HydrophobicContact CD2-CG1 3.88Å; Y161-V179 HydrophobicContact CD2-CG2 4.07Å; Y161-V179 HydrophobicContact CE2-CB 4.38Å; Y161-V179 HydrophobicContact CE2-CG2 4.09Å; Y161-V179 HydrophobicContact CG-CB 4.2Å; Y161-V179 HydrophobicContact CG-CG1 3.99Å; V179-L181 HydrophobicContact CG1-CD1 4.02Å; V179-L181 HydrophobicContact CG1-CG 4.16Å; V179-L181 PolarHBondContact O-N 3.16Å
180D98Very high97.8Very high130 Ų13036 Ų3670%0.69520%0.196SC*.  trans-96.383.6-175.8-168.725.7000110.8S155 G178S155-D180 PolarHBondContact OG-N 3.12Å; G178-D180 PolarHBondContact O-N 3.23Å
181L98.4Very high97.9Very high18 Ų1837.2 Ų37.29%0.09420%0.2CC..  trans-127.3149.9173.3-69.9173.8000110.2I20 V179 Q183I20-L181 HydrophobicContact CG2-CD1 3.7Å; V179-L181 HydrophobicContact CG1-CD1 4.02Å; V179-L181 HydrophobicContact CG1-CG 4.16Å; V179-L181 PolarHBondContact O-N 3.16Å; L181-Q183 VanDerWaalsContact C-N 3.31Å; L181-Q183 PolarHBondContact O-N 3.26Å
182P97.4Very high97.8Very high116 Ų11637.5 Ų37.575%0.75320%0.204SC*.SBendtrans-60.7-37.4-175.9-24.633.8000113.8S415P182-S415 PolarHBondContact O-OG 3.2Å
183Q98.2Very high97.7Very high77 Ų7734.4 Ų34.436%0.3618%0.179SC..  trans-111.7118.2179-67.3-176.9-64.200110.2L7 V160 Y161 L181L7-Q183 HydrophobicContact CD2-CB 4.29Å; L7-Q183 HydrophobicContact CD2-CG 4.48Å; V160-Q183 HydrophobicContact CG1-CB 4.37Å; Y161-Q183 PolarHBondContact N-O 3.29Å; L181-Q183 VanDerWaalsContact C-N 3.31Å; L181-Q183 PolarHBondContact O-N 3.26Å
184K98.7Very high97.5Very high54 Ų5433.8 Ų33.824%0.23518%0.176CC..EExtended strand (participates in β ladder)trans-12399.5178.2-66.4173.4-70.9-152.80108.2Y161 A413 L414 S415Y161-K184 HydrophobicContact CD1-CB 3.8Å; Y161-K184 HydrophobicContact CD1-CD 4.48Å; Y161-K184 HydrophobicContact CD1-CG 3.75Å; Y161-K184 HydrophobicContact CG-CG 4.37Å; Y161-K184 WeakPolarHBondContact O-CA 3.31Å; K184-A413 WeakPolarHBondContact CD-O 3.45Å; K184-A413 WeakPolarHBondContact CE-O 3.48Å; K184-L414 HydrophobicContact CB-CD2 4.44Å; K184-S415 PolarHBondContact N-OG 3.28Å; K184-S415 VanDerWaalsContact N-OG 3.11Å; K184-S415 PolarHBondContact O-N 3.23Å
185A98.6Very high97.2Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-108.7150.8-17200000112.8L7 V12 Y161 V162 N163L7-A185 HydrophobicContact CD2-CB 4.19Å; L7-A185 HydrophobicContact CG-CB 4.02Å; L7-A185 CarbonylContact O-C 3.23Å; L7-A185 VanDerWaalsContact O-CA 3.29Å; L7-A185 WeakPolarHBondContact O-CA 3.24Å; V12-A185 HydrophobicContact CG2-CB 3.7Å; Y161-A185 PolarHBondContact O-N 3.15Å; V162-A185 CarbonylContact C-O 3.5Å; V162-A185 VanDerWaalsContact CA-O 3.3Å; V162-A185 WeakPolarHBondContact CA-O 3.22Å; N163-A185 PolarHBondContact N-O 3.49Å
186A98.5Very high97Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-72.5129.9165.500000110.1L7 T8 L9 N163 M190 L194 L414L7-A186 PolarHBondContact O-N 3.47Å; T8-A186 CarbonylContact C-O 3.58Å; T8-A186 WeakPolarHBondContact CA-O 3.27Å; T8-A186 HydrophobicContact CG2-CB 4.23Å; L9-A186 WeakPolarHBondContact CB-O 3.4Å; L9-A186 PolarHBondContact N-O 3.3Å; N163-A186 WeakPolarHBondContact O-CA 3.45Å; A186-M190 HydrophobicContact CB-CB 3.91Å; A186-M190 HydrophobicContact CB-CG 3.49Å; A186-M190 VanDerWaalsContact CB-CG 3.49Å; A186-L194 HydrophobicContact CB-CD1 4.27Å; A186-L414 HydrophobicContact CB-CD1 3.9Å
187G98.6Very high96.7Very high0 Ų039.5 Ų39.50%020%0.203CC..  trans-68.4179.1164.400000111.6N163 D164 M190 K191N163-G187 PolarHBondContact O-N 3.37Å; D164-G187 WeakPolarHBondContact OD1-CA 3.44Å; G187-M190 PolarHBondContact O-N 3.07Å; G187-K191 WeakPolarHBondContact O-CB 3.46Å; G187-K191 PolarHBondContact O-N 3.16Å
188F97.8Very high96.3Very high61 Ų6137.5 Ų37.527%0.26819%0.191SC..Hα-helixtrans-69.5-33.8-174.7-67.3-47.8000114.4L9 D10 P45 S46 Y49 D164 K192L9-F188 HydrophobicContact CD2-CE2 4.37Å; D10-F188 HydrophobicContact CB-CE1 4.13Å; P45-F188 HydrophobicContact CB-CD2 4.1Å; S46-F188 PolarHBondContact OG-N 2.81Å; Y49-F188 HydrophobicContact CD1-CE2 4.33Å; Y49-F188 HydrophobicContact CD1-CZ 4.16Å; Y49-F188 AromaticContact CD2-CE2 3.88Å; Y49-F188 HydrophobicContact CD2-CE2 3.88Å; Y49-F188 AromaticContact CD2-CZ 3.67Å; Y49-F188 HydrophobicContact CD2-CZ 3.67Å; Y49-F188 HydrophobicContact CE2-CZ 4.05Å; Y49-F188 AromaticContact CG-CE2 3.67Å; Y49-F188 HydrophobicContact CG-CE2 3.67Å; Y49-F188 AromaticContact CG-CZ 3.73Å; Y49-F188 HydrophobicContact CG-CZ 3.73Å; D164-F188 PolarHBondContact OD1-N 2.94Å; F188-K192 WeakPolarHBondContact O-CB 3.38Å; F188-K192 PolarHBondContact O-N 3.14Å
189L95.1Very high95.9Very high26 Ų2640 Ų4014%0.13620%0.201CC..Hα-helixtrans-66.5-50.1174.4179167.6000109.3A42 D164 F166 K191 K192 E193 T394A42-L189 HydrophobicContact CB-CD1 3.75Å; D164-L189 WeakPolarHBondContact OD1-CA 3.2Å; D164-L189 VanDerWaalsContact OD1-CB 3.27Å; D164-L189 WeakPolarHBondContact OD1-CB 3.39Å; D164-L189 PolarHBondContact OD1-N 3.42Å; F166-L189 HydrophobicContact CB-CD2 4.05Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 2.92Å; L189-K192 PolarHBondContact O-N 2.95Å; L189-E193 HydrophobicContact CD2-CG 4.11Å; L189-E193 VanDerWaalsContact O-CG 3.3Å; L189-E193 WeakPolarHBondContact O-CG 3.33Å; L189-E193 PolarHBondContact O-N 3.32Å; L189-E193 VanDerWaalsContact O-N 3.07Å; L189-T394 HydrophobicContact CD1-CG2 4.48Å; L189-T394 WeakPolarHBondContact CD2-OG1 3.46Å
190M96.5Very high95.4Very high0 Ų039.8 Ų39.80%020%0.2CC..Hα-helixtrans-57.3-46.6175.717870.372.500111.5N163 D164 F166 A169 A186 G187 K192 E193 L194 V411 L414N163-M190 HydrophobicContact CB-CE 4.21Å; N163-M190 WeakPolarHBondContact O-CB 3.45Å; D164-M190 PolarHBondContact OD1-N 2.82Å; F166-M190 HydrophobicContact CB-CE 4.07Å; F166-M190 HydrophobicContact CB-SD 3.89Å; F166-M190 HydrophobicContact CD2-CE 4.47Å; F166-M190 HydrophobicContact CD2-SD 3.59Å; F166-M190 VanDerWaalsContact CD2-SD 3.59Å; F166-M190 HydrophobicContact CG-SD 4.21Å; A169-M190 HydrophobicContact CB-CE 4.14Å; A186-M190 HydrophobicContact CB-CB 3.91Å; A186-M190 HydrophobicContact CB-CG 3.49Å; A186-M190 VanDerWaalsContact CB-CG 3.49Å; G187-M190 PolarHBondContact O-N 3.07Å; M190-K192 VanDerWaalsContact C-N 3.34Å; M190-K192 PolarHBondContact O-N 3.24Å; M190-E193 WeakPolarHBondContact O-CB 3.23Å; M190-E193 PolarHBondContact O-N 3.21Å; M190-L194 HydrophobicContact CG-CD1 4.17Å; M190-L194 HydrophobicContact CG-CG 4.41Å; M190-L194 WeakPolarHBondContact O-CG 3.35Å; M190-L194 PolarHBondContact O-N 2.92Å; M190-L194 HydrophobicContact SD-CG 4.46Å; M190-V411 HydrophobicContact SD-CG2 4.26Å; M190-L414 HydrophobicContact CG-CD1 4.39Å
191K96.4Very high95Very high54 Ų5434.7 Ų34.724%0.23517%0.172CC..Hα-helixtrans-56.5-47.8177.5179.6-177.5-173.3-59.40111.2T8 G187 L189 E193 L194 D195T8-K191 HydrophobicContact CG2-CB 4.03Å; T8-K191 HydrophobicContact CG2-CD 3.68Å; T8-K191 HydrophobicContact CG2-CG 3.65Å; G187-K191 WeakPolarHBondContact O-CB 3.46Å; G187-K191 PolarHBondContact O-N 3.16Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 2.92Å; K191-E193 VanDerWaalsContact C-N 3.31Å; K191-E193 PolarHBondContact O-N 3.07Å; K191-L194 PolarHBondContact O-N 3.08Å; K191-D195 IonicContact NZ-OD1 3.4Å; K191-D195 IonicContact NZ-OD2 3.91Å; K191-D195 PolarHBondContact NZ-OD2 3.47Å; K191-D195 WeakPolarHBondContact O-CB 3.49Å; K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 2.95Å
192K94.6Very high94.5Very high100 Ų10037.5 Ų37.544%0.43519%0.185SC..Hα-helixtrans-58.3-44.4178.3-171.2179.2-179-172.70111.1F188 L189 M190 D195 Y196 H391F188-K192 WeakPolarHBondContact O-CB 3.38Å; F188-K192 PolarHBondContact O-N 3.14Å; L189-K192 PolarHBondContact O-N 2.95Å; M190-K192 VanDerWaalsContact C-N 3.34Å; M190-K192 PolarHBondContact O-N 3.24Å; K192-D195 PolarHBondContact O-N 2.89Å; K192-Y196 HydrophobicContact CD-CE2 4.39Å; K192-Y196 HydrophobicContact CG-CD2 3.79Å; K192-Y196 HydrophobicContact CG-CE2 3.79Å; K192-Y196 VanDerWaalsContact O-CD2 3.29Å; K192-Y196 WeakPolarHBondContact O-CD2 3.15Å; K192-Y196 PolarHBondContact O-N 2.85Å; K192-Y196 VanDerWaalsContact O-N 3.09Å; K192-H391 WeakPolarHBondContact CE-ND1 3.28Å
193E94.6Very high94.1Very high1 Ų140.4 Ų40.41%0.00519%0.186CC..Hα-helixtrans-60.2-48.6176.2-60.7-85.6-16600111.2F166 L189 M190 K191 D195 Y196 F197 H391 S393 T394F166-E193 HydrophobicContact CB-CB 4.22Å; F166-E193 HydrophobicContact CB-CG 3.78Å; F166-E193 HydrophobicContact CD1-CB 3.74Å; F166-E193 HydrophobicContact CD1-CG 3.49Å; F166-E193 VanDerWaalsContact CD1-CG 3.49Å; F166-E193 HydrophobicContact CD2-CB 3.82Å; F166-E193 HydrophobicContact CD2-CG 4.28Å; F166-E193 HydrophobicContact CE1-CB 4Å; F166-E193 HydrophobicContact CE1-CG 4.13Å; F166-E193 HydrophobicContact CE2-CB 4.05Å; F166-E193 HydrophobicContact CG-CB 3.65Å; F166-E193 HydrophobicContact CG-CG 3.59Å; F166-E193 HydrophobicContact CZ-CB 4.15Å; L189-E193 HydrophobicContact CD2-CG 4.11Å; L189-E193 VanDerWaalsContact O-CG 3.3Å; L189-E193 WeakPolarHBondContact O-CG 3.33Å; L189-E193 PolarHBondContact O-N 3.32Å; L189-E193 VanDerWaalsContact O-N 3.07Å; M190-E193 WeakPolarHBondContact O-CB 3.23Å; M190-E193 PolarHBondContact O-N 3.21Å; K191-E193 VanDerWaalsContact C-N 3.31Å; K191-E193 PolarHBondContact O-N 3.07Å; E193-D195 PolarHBondContact O-N 2.86Å; E193-Y196 PolarHBondContact O-N 3.06Å; E193-F197 HydrophobicContact CB-CD2 4.49Å; E193-F197 WeakPolarHBondContact O-CB 3.45Å; E193-F197 WeakPolarHBondContact O-CD2 3.38Å; E193-F197 PolarHBondContact O-N 3.28Å; E193-F197 WeakPolarHBondContact OE2-CE2 3.48Å; E193-H391 VanDerWaalsContact CD-NE2 3.32Å; E193-H391 IonicContact OE1-NE2 2.72Å; E193-H391 IonicContact OE2-CD2 2.81Å; E193-H391 IonicContact OE2-CE1 3.61Å; E193-H391 IonicContact OE2-NE2 3.03Å; E193-H391 PolarHBondContact OE2-NE2 2.92Å; E193-S393 VanDerWaalsContact CD-OG 3.28Å; E193-S393 WeakPolarHBondContact OE1-CA 2.9Å; E193-S393 PolarHBondContact OE1-OG 2.84Å; E193-S393 VanDerWaalsContact OE2-CB 3.29Å; E193-S393 WeakPolarHBondContact OE2-CB 3.28Å; E193-S393 PolarHBondContact OE2-OG 2.64Å; E193-T394 PolarHBondContact OE1-N 3.27Å; E193-T394 PolarHBondContact OE1-OG1 3.38Å
194L94.1Very high93.8Very high4 Ų438 Ų382%0.02118%0.177CC..Hα-helixtrans-60.8-44.6178.5-65.2178.5000112.2L3 K6 A186 M190 K191 F197 A198 V411 L414L3-L194 HydrophobicContact CB-CD2 4.43Å; L3-L194 HydrophobicContact CD2-CD2 3.89Å; K6-L194 HydrophobicContact CB-CD1 4.12Å; K6-L194 HydrophobicContact CG-CD1 4.31Å; A186-L194 HydrophobicContact CB-CD1 4.27Å; M190-L194 HydrophobicContact CG-CD1 4.17Å; M190-L194 HydrophobicContact CG-CG 4.41Å; M190-L194 WeakPolarHBondContact O-CG 3.35Å; M190-L194 PolarHBondContact O-N 2.92Å; M190-L194 HydrophobicContact SD-CG 4.46Å; K191-L194 PolarHBondContact O-N 3.08Å; L194-F197 PolarHBondContact O-N 3.03Å; L194-A198 WeakPolarHBondContact O-CB 3.47Å; L194-A198 PolarHBondContact O-N 3.34Å; L194-V411 HydrophobicContact CD1-CG1 4.5Å; L194-V411 HydrophobicContact CD2-CG1 3.69Å; L194-V411 HydrophobicContact CD2-CG2 3.93Å; L194-L414 HydrophobicContact CD1-CD1 4.42Å
195D93.8Very high93.6Very high69 Ų6939.7 Ų39.737%0.36919%0.186SC..Hα-helixtrans-60.7-49.5179.9-70.3-20.4000111K191 K192 E193 A198 M199K191-D195 IonicContact NZ-OD1 3.4Å; K191-D195 IonicContact NZ-OD2 3.91Å; K191-D195 PolarHBondContact NZ-OD2 3.47Å; K191-D195 WeakPolarHBondContact O-CB 3.49Å; K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 2.95Å; K192-D195 PolarHBondContact O-N 2.89Å; E193-D195 PolarHBondContact O-N 2.86Å; D195-A198 PolarHBondContact O-N 2.96Å; D195-M199 WeakPolarHBondContact O-CG 3.07Å; D195-M199 PolarHBondContact O-N 3.07Å
196Y93.6Very high93.5Very high55 Ų5545.9 Ų45.922%0.21621%0.209CC..Hα-helixtrans-68.7-40.4-179.9-83.5-74.9000112.8K192 E193 M199 A200 V368 I370 S390 H391K192-Y196 HydrophobicContact CD-CE2 4.39Å; K192-Y196 HydrophobicContact CG-CD2 3.79Å; K192-Y196 HydrophobicContact CG-CE2 3.79Å; K192-Y196 VanDerWaalsContact O-CD2 3.29Å; K192-Y196 WeakPolarHBondContact O-CD2 3.15Å; K192-Y196 PolarHBondContact O-N 2.85Å; K192-Y196 VanDerWaalsContact O-N 3.09Å; E193-Y196 PolarHBondContact O-N 3.06Å; Y196-M199 WeakPolarHBondContact O-CB 3.42Å; Y196-M199 PolarHBondContact O-N 2.91Å; Y196-A200 PolarHBondContact O-N 2.83Å; Y196-V368 HydrophobicContact CD1-CG1 4.25Å; Y196-V368 HydrophobicContact CE1-CG1 4.12Å; Y196-I370 HydrophobicContact CD1-CD1 4.19Å; Y196-I370 HydrophobicContact CD1-CG1 3.92Å; Y196-I370 HydrophobicContact CG-CG1 4.5Å; Y196-I370 VanDerWaalsContact O-CD1 3.29Å; Y196-I370 WeakPolarHBondContact O-CD1 3.22Å; Y196-S390 PolarHBondContact OH-O 3.45Å; Y196-H391 HydrophobicContact CD1-CB 3.81Å; Y196-H391 HydrophobicContact CD2-CB 3.56Å; Y196-H391 AromaticContact CD2-CG 3.53Å; Y196-H391 AromaticContact CD2-ND1 3.87Å; Y196-H391 HydrophobicContact CE1-CB 3.95Å; Y196-H391 HydrophobicContact CE2-CB 3.74Å; Y196-H391 HydrophobicContact CG-CB 3.61Å; Y196-H391 AromaticContact CG-CG 3.8Å
197F91.9Very high93.5Very high0 Ų048.1 Ų48.10%022%0.224CC..Hα-helixtrans-73.4-29177-75.8-64.8000112.9L3 F166 E193 L194 M199 A200 L201 I370 L402 L403L3-F197 HydrophobicContact CD1-CB 3.98Å; F166-F197 HydrophobicContact CE1-CD2 4.24Å; F166-F197 AromaticContact CE1-CE2 3.78Å; F166-F197 HydrophobicContact CE1-CE2 3.78Å; F166-F197 AromaticContact CZ-CD2 3.86Å; F166-F197 HydrophobicContact CZ-CD2 3.86Å; F166-F197 AromaticContact CZ-CE2 3.83Å; F166-F197 HydrophobicContact CZ-CE2 3.83Å; E193-F197 HydrophobicContact CB-CD2 4.49Å; E193-F197 WeakPolarHBondContact O-CB 3.45Å; E193-F197 WeakPolarHBondContact O-CD2 3.38Å; E193-F197 PolarHBondContact O-N 3.28Å; E193-F197 WeakPolarHBondContact OE2-CE2 3.48Å; L194-F197 PolarHBondContact O-N 3.03Å; F197-M199 VanDerWaalsContact C-N 3.35Å; F197-A200 PolarHBondContact O-N 3.48Å; F197-L201 WeakPolarHBondContact O-CB 3.29Å; F197-L201 WeakPolarHBondContact O-CG 3.35Å; F197-L201 PolarHBondContact O-N 2.67Å; F197-I370 HydrophobicContact CE1-CG2 4.24Å; F197-I370 HydrophobicContact CZ-CG2 4.39Å; F197-L402 HydrophobicContact CB-CD2 3.48Å; F197-L402 VanDerWaalsContact CB-CD2 3.48Å; F197-L402 HydrophobicContact CB-CG 4.47Å; F197-L402 HydrophobicContact CD1-CD2 4.21Å; F197-L402 HydrophobicContact CD2-CD2 3.72Å; F197-L402 HydrophobicContact CG-CD2 3.54Å; F197-L403 HydrophobicContact CD1-CD2 3.95Å; F197-L403 HydrophobicContact CD1-CG 4.31Å; F197-L403 HydrophobicContact CE1-CD1 4.16Å; F197-L403 HydrophobicContact CE1-CD2 3.86Å; F197-L403 HydrophobicContact CE1-CG 3.88Å
198A91.5Very high93.5Very high7 Ų748.1 Ų48.16%0.05822%0.224CC..Hα-helixtrans-62.1-44.3168.800000111L3 S4 L194 D195 A200 L201 E202 K203L3-A198 HydrophobicContact CB-CB 3.97Å; S4-A198 VanDerWaalsContact OG-CB 3.32Å; S4-A198 WeakPolarHBondContact OG-CB 3.47Å; L194-A198 WeakPolarHBondContact O-CB 3.47Å; L194-A198 PolarHBondContact O-N 3.34Å; D195-A198 PolarHBondContact O-N 2.96Å; A198-A200 VanDerWaalsContact C-N 3.26Å; A198-A200 PolarHBondContact O-N 2.93Å; A198-L201 PolarHBondContact O-N 3.38Å; A198-E202 WeakPolarHBondContact O-CA 3.14Å; A198-E202 VanDerWaalsContact O-CB 3.27Å; A198-E202 WeakPolarHBondContact O-CB 3.19Å; A198-E202 PolarHBondContact O-N 3Å; A198-K203 PolarHBondContact O-N 3.19Å
199M88.6Confident93.5Very high64 Ų6445.3 Ų45.332%0.31521%0.211SC..Hα-helixtrans-58.6-38.4172.1-69.617564.900111.8D195 Y196 F197 K203 P204 Q333 V368D195-M199 WeakPolarHBondContact O-CG 3.07Å; D195-M199 PolarHBondContact O-N 3.07Å; Y196-M199 WeakPolarHBondContact O-CB 3.42Å; Y196-M199 PolarHBondContact O-N 2.91Å; F197-M199 VanDerWaalsContact C-N 3.35Å; M199-K203 CarbonylContact O-C 3.52Å; M199-K203 VanDerWaalsContact O-C 3.23Å; M199-P204 WeakPolarHBondContact O-CA 3.44Å; M199-P204 VanDerWaalsContact O-N 3.1Å; M199-Q333 PolarHBondContact O-NE2 3.45Å; M199-Q333 VanDerWaalsContact O-NE2 3.1Å; M199-V368 HydrophobicContact CE-CB 4.43Å; M199-V368 HydrophobicContact CE-CG1 3.92Å; M199-V368 HydrophobicContact CE-CG2 3.89Å
200A89.1Confident93.7Very high0 Ų044.1 Ų44.10%021%0.205CC..Hα-helixtrans-70.6-42.5177.300000114.6Y196 F197 A198 F208 Q333 V335 I370Y196-A200 PolarHBondContact O-N 2.83Å; F197-A200 PolarHBondContact O-N 3.48Å; A198-A200 VanDerWaalsContact C-N 3.26Å; A198-A200 PolarHBondContact O-N 2.93Å; A200-F208 HydrophobicContact CB-CZ 4.19Å; A200-F208 WeakPolarHBondContact O-CE1 3.28Å; A200-Q333 VanDerWaalsContact CA-NE2 3.27Å; A200-V335 HydrophobicContact CB-CG2 3.89Å; A200-I370 HydrophobicContact CB-CD1 4.01Å
201L88.4Confident93.8Very high23 Ų2344.1 Ų44.112%0.1221%0.205CC..Hα-helixtrans-103.9-25.3-164.5-63.2173.6000113.9L3 F197 A198 K230 L402 L403L3-L201 HydrophobicContact CD1-CD1 4.25Å; F197-L201 WeakPolarHBondContact O-CB 3.29Å; F197-L201 WeakPolarHBondContact O-CG 3.35Å; F197-L201 PolarHBondContact O-N 2.67Å; A198-L201 PolarHBondContact O-N 3.38Å; L201-K230 PolarHBondContact O-NZ 3.4Å; L201-K230 VanDerWaalsContact O-NZ 3.16Å; L201-L402 HydrophobicContact CD1-CD1 4.39Å; L201-L402 HydrophobicContact CD1-CG 3.86Å; L201-L402 WeakPolarHBondContact CD1-O 3.48Å; L201-L403 HydrophobicContact CD2-CD2 4.18Å
202E89.1Confident93.8Very high76 Ų7641.6 Ų41.636%0.35519%0.194SC..THydrogen-bonded Turntrans-100.9-52.9-177.8-55.2-175170.700111.9S2 L3 S4 A198S2-E202 WeakPolarHBondContact CA-OE1 3.46Å; S2-E202 PolarHBondContact OG-OE1 3.12Å; S2-E202 PolarHBondContact OG-OE2 3.4Å; L3-E202 PolarHBondContact N-OE1 3.08Å; S4-E202 PolarHBondContact OG-OE2 3.42Å; A198-E202 WeakPolarHBondContact O-CA 3.14Å; A198-E202 VanDerWaalsContact O-CB 3.27Å; A198-E202 WeakPolarHBondContact O-CB 3.19Å; A198-E202 PolarHBondContact O-N 3Å
203K87.4Confident93.8Very high178 Ų17836.8 Ų36.877%0.77417%0.173SC*.SBendtrans-141.871.5-173.9-64.4-176.9-176.7176.50112.8A198 M199A198-K203 PolarHBondContact O-N 3.19Å; M199-K203 CarbonylContact O-C 3.52Å; M199-K203 VanDerWaalsContact O-C 3.23Å
204P92.6Very high93.7Very high26 Ų2637.7 Ų37.717%0.16918%0.183CC..  trans-72144.8-177.929.6-35.4000112.9M199 F208M199-P204 WeakPolarHBondContact O-CA 3.44Å; M199-P204 VanDerWaalsContact O-N 3.1Å; P204-F208 HydrophobicContact CB-CB 4.15Å; P204-F208 HydrophobicContact CB-CD1 3.49Å; P204-F208 VanDerWaalsContact CB-CD1 3.49Å; P204-F208 HydrophobicContact CB-CE1 3.97Å; P204-F208 HydrophobicContact CB-CG 3.82Å; P204-F208 HydrophobicContact CG-CD1 3.82Å; P204-F208 HydrophobicContact CG-CE1 4.36Å; P204-F208 HydrophobicContact CG-CG 4.49Å
205Q94.6Very high93.5Very high90 Ų9040.1 Ų40.142%0.42120%0.203SC..  trans-73.6134.6166.7-54.6-175.712.800109.6K332 Q333Q205-K332 HydrophobicContact CB-CB 4.11Å; Q205-Q333 HydrophobicContact CB-CB 4.19Å; Q205-Q333 VanDerWaalsContact O-CB 3.27Å; Q205-Q333 WeakPolarHBondContact O-CB 3.48Å
206R97.1Very high92.9Very high129 Ų12941.7 Ų41.749%0.48721%0.207SC..SBendtrans-108.9144.5-174.9-64.1-169.5179.6-80.7-5.5112.3K230 D232 K332R206-K230 PolarHBondContact NH1-O 2.88Å; R206-K230 PolarHBondContact NH2-O 3.37Å; R206-D232 WeakPolarHBondContact CG-OD2 3.48Å; R206-D232 IonicContact CZ-OD1 2.73Å; R206-D232 IonicContact CZ-OD2 2.81Å; R206-D232 IonicContact NH1-OD1 3.09Å; R206-D232 PolarHBondContact NH1-OD1 3.45Å; R206-D232 IonicContact NH1-OD2 2.69Å; R206-D232 PolarHBondContact NH1-OD2 2.87Å; R206-K332 VanDerWaalsContact O-CG 3.24Å; R206-K332 WeakPolarHBondContact O-CG 3.47Å
207P98.1Very high92.4Very high48 Ų4839.1 Ų39.131%0.31220%0.196SC..SBendcis-69.3132.41.8-22.235.5000113.6D232 A331 K332 Q333P207-D232 WeakPolarHBondContact CA-OD2 3.3Å; P207-D232 HydrophobicContact CB-CB 4.33Å; P207-A331 CarbonylContact O-C 3.47Å; P207-A331 WeakPolarHBondContact O-CA 3.23Å; P207-K332 PolarHBondContact O-N 3.17Å; P207-Q333 PolarHBondContact O-N 3.38Å
208F98.3Very high92Very high0 Ų043.3 Ų43.30%022%0.215CC..EExtended strand (participates in β ladder)trans-98.6119178.3-178.9-155.2000109.3A200 P204 M227 K230 V231 D232 E233 Q333 V335A200-F208 HydrophobicContact CB-CZ 4.19Å; A200-F208 WeakPolarHBondContact O-CE1 3.28Å; P204-F208 HydrophobicContact CB-CB 4.15Å; P204-F208 HydrophobicContact CB-CD1 3.49Å; P204-F208 VanDerWaalsContact CB-CD1 3.49Å; P204-F208 HydrophobicContact CB-CE1 3.97Å; P204-F208 HydrophobicContact CB-CG 3.82Å; P204-F208 HydrophobicContact CG-CD1 3.82Å; P204-F208 HydrophobicContact CG-CE1 4.36Å; P204-F208 HydrophobicContact CG-CG 4.49Å; F208-M227 HydrophobicContact CE1-CE 4.01Å; F208-M227 HydrophobicContact CZ-CE 3.76Å; F208-K230 HydrophobicContact CE1-CB 4.22Å; F208-V231 HydrophobicContact CD1-CB 4.38Å; F208-V231 HydrophobicContact CD1-CG1 3.8Å; F208-V231 HydrophobicContact CE1-CG1 3.82Å; F208-V231 HydrophobicContact CG-CG1 4.21Å; F208-V231 HydrophobicContact CZ-CG1 4.25Å; F208-V231 WeakPolarHBondContact O-CB 3.48Å; F208-D232 PolarHBondContact N-OD2 3.38Å; F208-D232 PolarHBondContact O-N 2.86Å; F208-E233 PolarHBondContact O-N 2.9Å; F208-Q333 WeakPolarHBondContact CA-O 3.3Å; F208-Q333 HydrophobicContact CD2-CB 3.88Å; F208-Q333 HydrophobicContact CD2-CG 3.88Å; F208-Q333 WeakPolarHBondContact CD2-O 3.2Å; F208-Q333 HydrophobicContact CE2-CB 4.5Å; F208-Q333 HydrophobicContact CE2-CG 4.01Å; F208-V335 HydrophobicContact CE2-CB 4.1Å; F208-V335 HydrophobicContact CE2-CG2 3.73Å; F208-V335 HydrophobicContact CZ-CB 4.25Å; F208-V335 HydrophobicContact CZ-CG2 3.74Å
209L98.8Very high91.6Very high2 Ų247.4 Ų47.41%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-106.4130.8-179.4171.164.7000111I211 E233 I235 A327 V328 A331 Q333 I334 V335L209-I211 HydrophobicContact CD2-CD1 4.21Å; L209-I211 HydrophobicContact CD2-CG1 4.01Å; L209-I211 HydrophobicContact CG-CG1 4Å; L209-E233 WeakPolarHBondContact CA-O 3.31Å; L209-E233 HydrophobicContact CD1-CB 3.75Å; L209-I235 HydrophobicContact CD1-CD1 4.39Å; L209-I235 HydrophobicContact CD1-CG1 4.16Å; L209-I235 HydrophobicContact CD2-CD1 4.3Å; L209-A327 HydrophobicContact CD2-CB 4.43Å; L209-V328 HydrophobicContact CD2-CB 4.44Å; L209-V328 HydrophobicContact CD2-CG2 3.83Å; L209-A331 HydrophobicContact CB-CB 3.81Å; L209-A331 HydrophobicContact CD2-CB 4.28Å; L209-Q333 PolarHBondContact N-O 3.04Å; L209-I334 HydrophobicContact CB-CG1 4.29Å; L209-I334 HydrophobicContact CD2-CD1 4.41Å; L209-I334 HydrophobicContact CD2-CG1 4.32Å; L209-I334 VanDerWaalsContact O-CA 3.31Å; L209-I334 WeakPolarHBondContact O-CA 3.4Å; L209-V335 PolarHBondContact O-N 2.88Å
210A98.1Very high91.6Very high0 Ų045.8 Ų45.80%023%0.227CC..EExtended strand (participates in β ladder)trans-98.3133.1161.100000110.7L212 M227 V231 E233 M234 I235 V335A210-L212 HydrophobicContact CB-CG 4.42Å; A210-M227 HydrophobicContact CB-CE 4.02Å; A210-V231 HydrophobicContact CB-CG1 3.71Å; A210-E233 PolarHBondContact N-O 2.93Å; A210-M234 HydrophobicContact CB-CE 4.11Å; A210-M234 HydrophobicContact CB-CG 4.18Å; A210-M234 CarbonylContact O-C 3.48Å; A210-M234 VanDerWaalsContact O-CA 3.25Å; A210-M234 WeakPolarHBondContact O-CA 3.14Å; A210-I235 PolarHBondContact O-N 2.88Å; A210-V335 CarbonylContact C-O 3.59Å; A210-V335 WeakPolarHBondContact CA-O 3.43Å
211I98.4Very high91.7Very high0 Ų047.6 Ų47.60%024%0.236CC..EExtended strand (participates in β ladder)trans-112.1112.4170.5-51.1179.6000107.2L209 I235 V328 I334 V335 W336 N337 V340 L355 V359L209-I211 HydrophobicContact CD2-CD1 4.21Å; L209-I211 HydrophobicContact CD2-CG1 4.01Å; L209-I211 HydrophobicContact CG-CG1 4Å; I211-I235 HydrophobicContact CD1-CD1 4.47Å; I211-I235 HydrophobicContact CG1-CD1 4.2Å; I211-I235 HydrophobicContact CG2-CB 4.22Å; I211-I235 HydrophobicContact CG2-CG2 4.16Å; I211-V328 HydrophobicContact CD1-CG2 3.94Å; I211-I334 HydrophobicContact CD1-CG2 3.71Å; I211-I334 HydrophobicContact CG1-CG2 3.99Å; I211-V335 PolarHBondContact N-O 2.99Å; I211-W336 HydrophobicContact CB-CB 4.04Å; I211-W336 HydrophobicContact CB-CG 3.81Å; I211-W336 HydrophobicContact CD1-CB 4.41Å; I211-W336 HydrophobicContact CD1-CD2 4.43Å; I211-W336 HydrophobicContact CD1-CG 4.33Å; I211-W336 VanDerWaalsContact CG2-CD1 3.47Å; I211-W336 HydrophobicContact CG2-CD2 4.31Å; I211-W336 HydrophobicContact CG2-CG 3.96Å; I211-W336 CarbonylContact O-C 3.57Å; I211-W336 WeakPolarHBondContact O-CA 3.4Å; I211-N337 PolarHBondContact O-N 3.11Å; I211-V340 HydrophobicContact CG2-CG1 4.49Å; I211-L355 HydrophobicContact CD1-CD1 4.22Å; I211-L355 HydrophobicContact CD1-CD2 4.32Å; I211-L355 HydrophobicContact CD1-CG 4.38Å; I211-L355 HydrophobicContact CG2-CD2 3.73Å; I211-V359 HydrophobicContact CD1-CG2 4.17Å
212L97.1Very high91.8Very high1 Ų150.7 Ų50.71%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-117.6127.1-177.1-58.2-175.8000110.2A210 L223 I224 M234 I235 I236 G237 N337A210-L212 HydrophobicContact CB-CG 4.42Å; L212-L223 HydrophobicContact CD1-CD2 4.38Å; L212-L223 HydrophobicContact CD1-CG 4.39Å; L212-L223 HydrophobicContact CD2-CD2 3.61Å; L212-L223 HydrophobicContact CD2-CG 4.22Å; L212-I224 HydrophobicContact CD1-CB 4.38Å; L212-I224 HydrophobicContact CD1-CG1 3.62Å; L212-M234 HydrophobicContact CD1-CE 3.96Å; L212-M234 HydrophobicContact CD1-CG 4.38Å; L212-M234 HydrophobicContact CD1-SD 3.74Å; L212-M234 HydrophobicContact CG-SD 4.49Å; L212-I235 PolarHBondContact N-O 2.83Å; L212-I236 WeakPolarHBondContact O-CA 3.33Å; L212-G237 PolarHBondContact O-N 2.95Å; L212-N337 WeakPolarHBondContact CA-O 3.3Å; L212-N337 HydrophobicContact CD2-CB 4.1Å
213G95.3Very high92Very high0 Ų047.1 Ų47.10%023%0.233CC..  trans-142.9-160.3178.100000112.8N337 P339G213-N337 PolarHBondContact N-O 2.85Å; G213-P339 CarbonylContact C-O 3.16Å; G213-P339 WeakPolarHBondContact CA-O 3.18Å
214G92.1Very high92.3Very high20 Ų2038.7 Ų38.721%0.20620%0.197CC..SBendtrans97.2-168-174.300000113.8G238 G239 M240 P339G214-G238 CarbonylContact O-C 3.55Å; G214-G239 PolarHBondContact O-N 3.46Å; G214-M240 PolarHBondContact O-N 3.47Å; G214-M240 VanDerWaalsContact O-N 3.13Å; G214-P339 PolarHBondContact N-O 2.92Å
215A89.5Confident92.4Very high54 Ų5440.9 Ų40.945%0.44621%0.207SC..SBendtrans-86.2-45.6-162.600000115.1G239 M240 L257A215-G239 CarbonylContact O-C 3.58Å; A215-M240 PolarHBondContact O-N 2.81Å; A215-L257 HydrophobicContact CB-CD1 3.75Å; A215-L257 WeakPolarHBondContact O-CD1 3.06Å
216K81.5Confident92.4Very high103 Ų10338.2 Ų38.245%0.44820%0.196SC..  trans-123.5140.1-167.6-60.8-176.3-177.1177.50112.2K218K216-K218 HydrophobicContact CB-CG 4.38Å
217V82.4Confident92.3Very high0 Ų032.1 Ų32.10%017%0.173CC..SBendtrans-71.5-43.5179176.60000110.9D219 K220 I221 M240 T243 F244 D259V217-D219 PolarHBondContact O-N 2.8Å; V217-K220 CarbonylContact O-C 3.41Å; V217-K220 WeakPolarHBondContact O-CA 3.3Å; V217-K220 WeakPolarHBondContact O-CB 3.43Å; V217-K220 PolarHBondContact O-N 2.7Å; V217-I221 HydrophobicContact CG1-CG1 4.05Å; V217-I221 WeakPolarHBondContact O-CG1 3.35Å; V217-I221 PolarHBondContact O-N 3.43Å; V217-M240 HydrophobicContact CG2-CB 3.7Å; V217-M240 WeakPolarHBondContact CG2-O 3.36Å; V217-T243 HydrophobicContact CG2-CG2 3.97Å; V217-F244 HydrophobicContact CG1-CE2 4.19Å; V217-F244 HydrophobicContact CG2-CD2 4.31Å; V217-F244 HydrophobicContact CG2-CE2 4.04Å; V217-D259 HydrophobicContact CB-CB 4.3Å; V217-D259 PolarHBondContact N-OD2 2.9Å
218K83.2Confident92.3Very high88 Ų8830 Ų3038%0.38316%0.159SC..G310 helixtrans-55.4-38.7-173.869.8-174.2-166.7169.30113.7K216 K220 I221 D259K216-K218 HydrophobicContact CB-CG 4.38Å; K218-K220 PolarHBondContact O-N 3.24Å; K218-I221 HydrophobicContact CB-CD1 4.4Å; K218-I221 PolarHBondContact O-N 3.37Å; K218-D259 WeakPolarHBondContact CB-OD2 3.42Å; K218-D259 WeakPolarHBondContact CG-OD2 3.37Å; K218-D259 PolarHBondContact N-OD2 3.16Å
219D84.9Confident92.2Very high94 Ų9434.1 Ų34.150%0.50318%0.181SC..G310 helixtrans-72.6-7.6179.4-56.9-31.2000111.9V217V217-D219 PolarHBondContact O-N 2.8Å
220K88.5Confident92Very high30 Ų3037.3 Ų37.313%0.1320%0.195CC..G310 helixtrans-122.8-2.8-176.5-57.3-64-175.8-175.70113.5V217 K218 Q222 L223 I224 M240 N337V217-K220 CarbonylContact O-C 3.41Å; V217-K220 WeakPolarHBondContact O-CA 3.3Å; V217-K220 WeakPolarHBondContact O-CB 3.43Å; V217-K220 PolarHBondContact O-N 2.7Å; K218-K220 PolarHBondContact O-N 3.24Å; K220-Q222 VanDerWaalsContact C-N 3.34Å; K220-Q222 PolarHBondContact O-N 3.09Å; K220-L223 HydrophobicContact CD-CD2 3.9Å; K220-L223 WeakPolarHBondContact O-CB 3.29Å; K220-L223 PolarHBondContact O-N 2.99Å; K220-L223 VanDerWaalsContact O-N 3.14Å; K220-I224 HydrophobicContact CB-CD1 4.3Å; K220-I224 HydrophobicContact CB-CG1 4.45Å; K220-I224 VanDerWaalsContact O-CG1 3.3Å; K220-I224 WeakPolarHBondContact O-CG1 3.39Å; K220-I224 PolarHBondContact O-N 3.46Å; K220-M240 HydrophobicContact CB-CE 4.02Å; K220-M240 HydrophobicContact CG-CE 4.32Å; K220-M240 HydrophobicContact CG-SD 4.17Å; K220-N337 PolarHBondContact NZ-OD1 3.16Å
221I90.1Very high92Very high38 Ų3837.7 Ų37.720%0.19520%0.197CC..Hα-helixtrans-55.9-50.1-177.9-69.7170.5000110.7V217 K218 L223 I224 N225 I265V217-I221 HydrophobicContact CG1-CG1 4.05Å; V217-I221 WeakPolarHBondContact O-CG1 3.35Å; V217-I221 PolarHBondContact O-N 3.43Å; K218-I221 HydrophobicContact CB-CD1 4.4Å; K218-I221 PolarHBondContact O-N 3.37Å; I221-L223 VanDerWaalsContact C-N 3.31Å; I221-L223 PolarHBondContact O-N 3.32Å; I221-I224 PolarHBondContact O-N 3.34Å; I221-N225 VanDerWaalsContact O-CB 3.25Å; I221-N225 WeakPolarHBondContact O-CB 3.17Å; I221-N225 PolarHBondContact O-N 2.97Å; I221-I265 HydrophobicContact CD1-CG2 3.85Å; I221-I265 HydrophobicContact CG1-CG2 3.97Å; I221-I265 HydrophobicContact CG2-CD1 3.99Å; I221-I265 HydrophobicContact CG2-CG2 4.22Å
222Q91.5Very high92Very high88 Ų8840.2 Ų40.241%0.41121%0.21SC..Hα-helixtrans-63.9-39.4-179.4-171.6173.5-0.200111.5K220 N225 N226 E404 K406K220-Q222 VanDerWaalsContact C-N 3.34Å; K220-Q222 PolarHBondContact O-N 3.09Å; Q222-N225 PolarHBondContact O-N 3.26Å; Q222-N226 WeakPolarHBondContact O-CB 3.31Å; Q222-N226 PolarHBondContact O-N 3.49Å; Q222-E404 HydrophobicContact CB-CB 4.5Å; Q222-E404 HydrophobicContact CB-CG 4.09Å; Q222-E404 HydrophobicContact CG-CB 3.89Å; Q222-E404 HydrophobicContact CG-CG 4.04Å; Q222-E404 PolarHBondContact NE2-O 3.5Å; Q222-K406 VanDerWaalsContact OE1-CE 3.25Å
223L92.3Very high92.1Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-61.7-54176.4175.665.6000111.3L212 K220 I221 N225 N226 M227 N337 L400 L403 E404L212-L223 HydrophobicContact CD1-CD2 4.38Å; L212-L223 HydrophobicContact CD1-CG 4.39Å; L212-L223 HydrophobicContact CD2-CD2 3.61Å; L212-L223 HydrophobicContact CD2-CG 4.22Å; K220-L223 HydrophobicContact CD-CD2 3.9Å; K220-L223 WeakPolarHBondContact O-CB 3.29Å; K220-L223 PolarHBondContact O-N 2.99Å; K220-L223 VanDerWaalsContact O-N 3.14Å; I221-L223 VanDerWaalsContact C-N 3.31Å; I221-L223 PolarHBondContact O-N 3.32Å; L223-N225 VanDerWaalsContact C-N 3.3Å; L223-N225 PolarHBondContact O-N 3.04Å; L223-N226 PolarHBondContact O-N 3.05Å; L223-M227 HydrophobicContact CD1-CG 3.83Å; L223-M227 HydrophobicContact CG-CG 4.34Å; L223-M227 WeakPolarHBondContact O-CB 3.46Å; L223-M227 VanDerWaalsContact O-CG 3.23Å; L223-M227 WeakPolarHBondContact O-CG 3.34Å; L223-M227 PolarHBondContact O-N 2.96Å; L223-N337 HydrophobicContact CD2-CB 4.4Å; L223-L400 HydrophobicContact CB-CD1 4.23Å; L223-L400 HydrophobicContact CD1-CD1 4.33Å; L223-L400 HydrophobicContact CD2-CD1 3.7Å; L223-L400 HydrophobicContact CG-CD1 4.3Å; L223-L403 HydrophobicContact CD1-CB 3.31Å; L223-L403 HydrophobicContact CD1-CD1 4.28Å; L223-L403 HydrophobicContact CD1-CG 4.4Å; L223-E404 HydrophobicContact CB-CG 4.03Å
224I94.8Very high92.2Very high2 Ų241 Ų411%0.0121%0.214CC..Hα-helixtrans-56.3-50.7178.5-62.3160.5000109L212 K220 I221 N226 M227 L228 M234 M240 F244 L269L212-I224 HydrophobicContact CD1-CB 4.38Å; L212-I224 HydrophobicContact CD1-CG1 3.62Å; K220-I224 HydrophobicContact CB-CD1 4.3Å; K220-I224 HydrophobicContact CB-CG1 4.45Å; K220-I224 VanDerWaalsContact O-CG1 3.3Å; K220-I224 WeakPolarHBondContact O-CG1 3.39Å; K220-I224 PolarHBondContact O-N 3.46Å; I221-I224 PolarHBondContact O-N 3.34Å; I224-N226 VanDerWaalsContact C-N 3.33Å; I224-N226 PolarHBondContact O-N 2.67Å; I224-M227 PolarHBondContact O-N 3.5Å; I224-L228 HydrophobicContact CG2-CD1 3.92Å; I224-L228 HydrophobicContact CG2-CG 4.1Å; I224-L228 VanDerWaalsContact O-CG 3.28Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.14Å; I224-M234 HydrophobicContact CG2-CE 4.35Å; I224-M234 HydrophobicContact CG2-SD 3.94Å; I224-M240 HydrophobicContact CD1-CE 3.71Å; I224-M240 HydrophobicContact CG1-CE 4.5Å; I224-F244 HydrophobicContact CD1-CZ 4.2Å; I224-L269 HydrophobicContact CB-CD1 4.43Å; I224-L269 HydrophobicContact CB-CD2 4.46Å; I224-L269 HydrophobicContact CD1-CD1 4.03Å; I224-L269 HydrophobicContact CG2-CD1 4.09Å; I224-L269 HydrophobicContact CG2-CD2 4.02Å; I224-L269 HydrophobicContact CG2-CG 4.47Å
225N94.4Very high92.6Very high72 Ų7240 Ų4039%0.38520%0.204SC..Hα-helixtrans-57.5-45-177.5-17652.1000111.9I221 Q222 L223 L269 K272I221-N225 VanDerWaalsContact O-CB 3.25Å; I221-N225 WeakPolarHBondContact O-CB 3.17Å; I221-N225 PolarHBondContact O-N 2.97Å; Q222-N225 PolarHBondContact O-N 3.26Å; L223-N225 VanDerWaalsContact C-N 3.3Å; L223-N225 PolarHBondContact O-N 3.04Å; N225-L269 HydrophobicContact CB-CD2 4.22Å; N225-K272 PolarHBondContact O-NZ 3.27Å; N225-K272 VanDerWaalsContact OD1-CD 3.28Å; N225-K272 WeakPolarHBondContact OD1-CD 3.21Å; N225-K272 PolarHBondContact OD1-NZ 2.96Å
226N94.3Very high93Very high34 Ų3437.6 Ų37.618%0.18218%0.183CC..Hα-helixtrans-69.4-40.9177.8-172.965.2000112.3Q222 L223 I224 L228 D229 L403Q222-N226 WeakPolarHBondContact O-CB 3.31Å; Q222-N226 PolarHBondContact O-N 3.49Å; L223-N226 PolarHBondContact O-N 3.05Å; I224-N226 VanDerWaalsContact C-N 3.33Å; I224-N226 PolarHBondContact O-N 2.67Å; N226-L228 VanDerWaalsContact C-N 3.33Å; N226-L228 PolarHBondContact O-N 2.91Å; N226-D229 PolarHBondContact O-N 2.71Å; N226-L403 PolarHBondContact ND2-O 3.01Å
227M95.4Very high93.8Very high1 Ų132.7 Ų32.71%0.00516%0.162CC..Hα-helixtrans-67.7-31.3-179.3-68.7-58.3-65.400112.8F208 A210 L223 I224 D229 K230 V231 M234 V335 L403F208-M227 HydrophobicContact CE1-CE 4.01Å; F208-M227 HydrophobicContact CZ-CE 3.76Å; A210-M227 HydrophobicContact CB-CE 4.02Å; L223-M227 HydrophobicContact CD1-CG 3.83Å; L223-M227 HydrophobicContact CG-CG 4.34Å; L223-M227 WeakPolarHBondContact O-CB 3.46Å; L223-M227 VanDerWaalsContact O-CG 3.23Å; L223-M227 WeakPolarHBondContact O-CG 3.34Å; L223-M227 PolarHBondContact O-N 2.96Å; I224-M227 PolarHBondContact O-N 3.5Å; M227-D229 PolarHBondContact O-N 2.99Å; M227-D229 VanDerWaalsContact O-N 3.16Å; M227-K230 WeakPolarHBondContact O-CA 3.44Å; M227-K230 PolarHBondContact O-N 3.26Å; M227-V231 HydrophobicContact CB-CG1 4.46Å; M227-V231 HydrophobicContact CE-CG1 3.61Å; M227-V231 WeakPolarHBondContact O-CG2 3.38Å; M227-V231 PolarHBondContact O-N 3.3Å; M227-M234 HydrophobicContact CB-CE 3.67Å; M227-V335 HydrophobicContact CE-CB 4.46Å; M227-L403 HydrophobicContact SD-CD2 4.08Å
228L97.3Very high94.5Very high2 Ų233.2 Ų33.21%0.0117%0.168CC..THydrogen-bonded Turntrans-61.2-18.9174.6-73.8176.6000113.6I224 N226 K230 M234 L269 K272 A273 N276 V278 I280I224-L228 HydrophobicContact CG2-CD1 3.92Å; I224-L228 HydrophobicContact CG2-CG 4.1Å; I224-L228 VanDerWaalsContact O-CG 3.28Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.14Å; N226-L228 VanDerWaalsContact C-N 3.33Å; N226-L228 PolarHBondContact O-N 2.91Å; L228-K230 VanDerWaalsContact C-N 3.3Å; L228-M234 HydrophobicContact CD2-CE 3.89Å; L228-M234 HydrophobicContact CD2-SD 4.24Å; L228-M234 HydrophobicContact CG-CE 4.11Å; L228-L269 HydrophobicContact CD1-CB 4.48Å; L228-L269 HydrophobicContact CD1-CD2 4.34Å; L228-L269 WeakPolarHBondContact CD1-O 3.49Å; L228-K272 HydrophobicContact CB-CD 4.2Å; L228-K272 HydrophobicContact CB-CG 4.35Å; L228-K272 HydrophobicContact CD1-CB 4.17Å; L228-K272 HydrophobicContact CD1-CD 4.17Å; L228-K272 HydrophobicContact CD1-CG 4.22Å; L228-A273 HydrophobicContact CD1-CB 4.41Å; L228-A273 HydrophobicContact CD2-CB 3.75Å; L228-N276 PolarHBondContact O-ND2 2.78Å; L228-V278 HydrophobicContact CD2-CB 4.07Å; L228-V278 HydrophobicContact CD2-CG1 3.89Å; L228-V278 HydrophobicContact CD2-CG2 4.14Å; L228-I280 HydrophobicContact CD2-CD1 4.05Å
229D95.7Very high95.1Very high87 Ų8729.8 Ų29.847%0.46516%0.157SC..THydrogen-bonded Turntrans-86.2-1.8173.4-63.4-40.8000112.9N226 M227 K272 N276N226-D229 PolarHBondContact O-N 2.71Å; M227-D229 PolarHBondContact O-N 2.99Å; M227-D229 VanDerWaalsContact O-N 3.16Å; D229-K272 WeakPolarHBondContact OD1-CE 3.32Å; D229-K272 IonicContact OD1-NZ 3.22Å; D229-K272 PolarHBondContact OD1-NZ 3.18Å; D229-K272 VanDerWaalsContact OD1-NZ 3.09Å; D229-K272 IonicContact OD2-NZ 3.32Å; D229-K272 PolarHBondContact OD2-NZ 2.81Å; D229-N276 PolarHBondContact OD1-ND2 3.23Å
230K95.1Very high95.6Very high70 Ų7025.3 Ų25.330%0.30413%0.133SC..THydrogen-bonded Turntrans-123.9-45.5-169.8-56.2-64.6179.4169.70113.1L201 R206 F208 M227 L228L201-K230 PolarHBondContact O-NZ 3.4Å; L201-K230 VanDerWaalsContact O-NZ 3.16Å; R206-K230 PolarHBondContact NH1-O 2.88Å; R206-K230 PolarHBondContact NH2-O 3.37Å; F208-K230 HydrophobicContact CE1-CB 4.22Å; M227-K230 WeakPolarHBondContact O-CA 3.44Å; M227-K230 PolarHBondContact O-N 3.26Å; L228-K230 VanDerWaalsContact C-N 3.3Å
231V98.1Very high96.1Very high7 Ų724 Ų244%0.04213%0.128CC..  trans-83.4158.2-170.8-55.40000113.1F208 A210 M227 E233 M234 V278F208-V231 HydrophobicContact CD1-CB 4.38Å; F208-V231 HydrophobicContact CD1-CG1 3.8Å; F208-V231 HydrophobicContact CE1-CG1 3.82Å; F208-V231 HydrophobicContact CG-CG1 4.21Å; F208-V231 HydrophobicContact CZ-CG1 4.25Å; F208-V231 WeakPolarHBondContact O-CB 3.48Å; A210-V231 HydrophobicContact CB-CG1 3.71Å; M227-V231 HydrophobicContact CB-CG1 4.46Å; M227-V231 HydrophobicContact CE-CG1 3.61Å; M227-V231 WeakPolarHBondContact O-CG2 3.38Å; M227-V231 PolarHBondContact O-N 3.3Å; V231-E233 WeakPolarHBondContact CB-O 3.46Å; V231-E233 WeakPolarHBondContact CG2-O 3.22Å; V231-M234 HydrophobicContact CG2-CB 4.35Å; V231-M234 HydrophobicContact CG2-CE 4.06Å; V231-V278 HydrophobicContact CG2-CG1 3.74Å; V231-V278 HydrophobicContact CG2-CG2 4.46Å; V231-V278 WeakPolarHBondContact O-CG2 3.3Å
232D98.6Very high96.5Very high53 Ų5322.4 Ų22.428%0.28312%0.12SC..SBendtrans-92.5-32.1169-54.8-71.4000110.8R206 P207 F208 V278 R279R206-D232 WeakPolarHBondContact CG-OD2 3.48Å; R206-D232 IonicContact CZ-OD1 2.73Å; R206-D232 IonicContact CZ-OD2 2.81Å; R206-D232 IonicContact NH1-OD1 3.09Å; R206-D232 PolarHBondContact NH1-OD1 3.45Å; R206-D232 IonicContact NH1-OD2 2.69Å; R206-D232 PolarHBondContact NH1-OD2 2.87Å; P207-D232 WeakPolarHBondContact CA-OD2 3.3Å; P207-D232 HydrophobicContact CB-CB 4.33Å; F208-D232 PolarHBondContact N-OD2 3.38Å; F208-D232 PolarHBondContact O-N 2.86Å; D232-V278 WeakPolarHBondContact O-CA 3.23Å; D232-R279 PolarHBondContact O-N 3.09Å
233E98.8Very high96.8Very high17 Ų1718.3 Ų18.38%0.07910%0.101CC..EExtended strand (participates in β ladder)trans-135.3150.6179.8-55.7-160.4-142.500111F208 L209 A210 V231 R279 R330F208-E233 PolarHBondContact O-N 2.9Å; L209-E233 WeakPolarHBondContact CA-O 3.31Å; L209-E233 HydrophobicContact CD1-CB 3.75Å; A210-E233 PolarHBondContact N-O 2.93Å; V231-E233 WeakPolarHBondContact CB-O 3.46Å; V231-E233 WeakPolarHBondContact CG2-O 3.22Å; E233-R279 WeakPolarHBondContact CA-O 3.37Å; E233-R279 HydrophobicContact CG-CB 4.08Å; E233-R330 IonicContact OE1-CZ 3.06Å; E233-R330 IonicContact OE1-NE 3.84Å; E233-R330 PolarHBondContact OE1-NE 2.95Å; E233-R330 IonicContact OE1-NH2 2.7Å; E233-R330 IonicContact OE2-CZ 3.47Å; E233-R330 IonicContact OE2-NE 2.97Å; E233-R330 PolarHBondContact OE2-NE 2.98Å; E233-R330 IonicContact OE2-NH2 3.85Å; E233-R330 PolarHBondContact OE2-NH2 3.23Å
234M98.8Very high97.1Very high1 Ų118.4 Ų18.41%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-139.4126.4174.2-172.6177.6-71.900111.4A210 L212 I224 M227 L228 V231 I236 V278 R279 I280 T281A210-M234 HydrophobicContact CB-CE 4.11Å; A210-M234 HydrophobicContact CB-CG 4.18Å; A210-M234 CarbonylContact O-C 3.48Å; A210-M234 VanDerWaalsContact O-CA 3.25Å; A210-M234 WeakPolarHBondContact O-CA 3.14Å; L212-M234 HydrophobicContact CD1-CE 3.96Å; L212-M234 HydrophobicContact CD1-CG 4.38Å; L212-M234 HydrophobicContact CD1-SD 3.74Å; L212-M234 HydrophobicContact CG-SD 4.49Å; I224-M234 HydrophobicContact CG2-CE 4.35Å; I224-M234 HydrophobicContact CG2-SD 3.94Å; M227-M234 HydrophobicContact CB-CE 3.67Å; L228-M234 HydrophobicContact CD2-CE 3.89Å; L228-M234 HydrophobicContact CD2-SD 4.24Å; L228-M234 HydrophobicContact CG-CE 4.11Å; V231-M234 HydrophobicContact CG2-CB 4.35Å; V231-M234 HydrophobicContact CG2-CE 4.06Å; M234-I236 HydrophobicContact CG-CG1 4.18Å; M234-I236 HydrophobicContact SD-CD1 4.34Å; M234-I236 HydrophobicContact SD-CG1 4.21Å; M234-V278 HydrophobicContact CB-CG1 4.24Å; M234-R279 PolarHBondContact N-O 2.93Å; M234-I280 HydrophobicContact CB-CD1 3.79Å; M234-I280 HydrophobicContact CG-CD1 4.49Å; M234-I280 CarbonylContact O-C 3.56Å; M234-I280 WeakPolarHBondContact O-CA 3.29Å; M234-I280 HydrophobicContact SD-CD1 4.43Å; M234-T281 PolarHBondContact O-N 2.9Å
235I98.9Very high97.3Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-90.8131.9165-69168.6000108.2L209 A210 I211 L212 T281 Y324 A327 V328L209-I235 HydrophobicContact CD1-CD1 4.39Å; L209-I235 HydrophobicContact CD1-CG1 4.16Å; L209-I235 HydrophobicContact CD2-CD1 4.3Å; A210-I235 PolarHBondContact O-N 2.88Å; I211-I235 HydrophobicContact CD1-CD1 4.47Å; I211-I235 HydrophobicContact CG1-CD1 4.2Å; I211-I235 HydrophobicContact CG2-CB 4.22Å; I211-I235 HydrophobicContact CG2-CG2 4.16Å; L212-I235 PolarHBondContact N-O 2.83Å; I235-T281 WeakPolarHBondContact CA-O 3.15Å; I235-Y324 HydrophobicContact CB-CD1 4.49Å; I235-Y324 HydrophobicContact CD1-CD1 3.96Å; I235-Y324 HydrophobicContact CD1-CG 4.06Å; I235-Y324 HydrophobicContact CG1-CD1 4.02Å; I235-Y324 HydrophobicContact CG1-CE1 4.48Å; I235-Y324 HydrophobicContact CG2-CD1 3.66Å; I235-Y324 HydrophobicContact CG2-CD2 4.41Å; I235-Y324 HydrophobicContact CG2-CE1 3.45Å; I235-Y324 VanDerWaalsContact CG2-CE1 3.45Å; I235-Y324 HydrophobicContact CG2-CE2 4.22Å; I235-Y324 HydrophobicContact CG2-CG 4.14Å; I235-A327 HydrophobicContact CD1-CB 4.02Å; I235-A327 HydrophobicContact CG1-CB 4.25Å; I235-V328 HydrophobicContact CD1-CG2 4.47Å
236I98.4Very high97.5Very high2 Ų218.8 Ų18.81%0.0110%0.099CC..EExtended strand (participates in β ladder)trans-116.9113.8169.2-61.8173.5000107.2L212 M234 M240 A241 F244 I280 T281 L282 P283 Y324L212-I236 WeakPolarHBondContact O-CA 3.33Å; M234-I236 HydrophobicContact CG-CG1 4.18Å; M234-I236 HydrophobicContact SD-CD1 4.34Å; M234-I236 HydrophobicContact SD-CG1 4.21Å; I236-M240 HydrophobicContact CG2-CE 4.21Å; I236-M240 HydrophobicContact CG2-CG 4.33Å; I236-A241 HydrophobicContact CG2-CB 4.39Å; I236-F244 HydrophobicContact CD1-CD1 4.18Å; I236-F244 HydrophobicContact CD1-CE1 3.72Å; I236-F244 HydrophobicContact CD1-CE2 4.28Å; I236-F244 HydrophobicContact CD1-CZ 3.78Å; I236-F244 HydrophobicContact CG2-CD2 4.13Å; I236-F244 HydrophobicContact CG2-CE2 4.22Å; I236-I280 HydrophobicContact CD1-CG2 4.11Å; I236-T281 PolarHBondContact N-O 3.29Å; I236-L282 HydrophobicContact CB-CD2 3.77Å; I236-L282 HydrophobicContact CG2-CD2 3.91Å; I236-P283 VanDerWaalsContact O-CD 3.22Å; I236-P283 WeakPolarHBondContact O-CD 3.37Å; I236-Y324 PolarHBondContact O-OH 3.23Å
237G97.8Very high97.6Very high0 Ų019 Ų190%010%0.102CC..  trans-129.6-166-179.500000112.7L212 M240 Y324L212-G237 PolarHBondContact O-N 2.95Å; G237-M240 WeakPolarHBondContact O-CG 3.41Å; G237-Y324 WeakPolarHBondContact CA-OH 3.25Å
238G97.3Very high97.8Very high12 Ų1222 Ų2212%0.12412%0.118CC..SBendtrans67.2-166.8-179.800000113.5G214 M240 A241 V340G214-G238 CarbonylContact O-C 3.55Å; G238-M240 PolarHBondContact O-N 3.37Å; G238-A241 WeakPolarHBondContact O-CB 3.34Å; G238-A241 PolarHBondContact O-N 3.5Å; G238-A241 VanDerWaalsContact O-N 3.16Å; G238-V340 WeakPolarHBondContact CA-O 3.44Å; G238-V340 PolarHBondContact N-O 3.43Å
239G97Very high97.8Very high15 Ų1526.3 Ų26.316%0.15514%0.141CC..THydrogen-bonded Turntrans-60.9-29.6-178.300000113.8G214 A215 A241 F242G214-G239 PolarHBondContact O-N 3.46Å; A215-G239 CarbonylContact O-C 3.58Å; G239-A241 PolarHBondContact O-N 3.06Å; G239-F242 VanDerWaalsContact O-CD2 3.3Å; G239-F242 WeakPolarHBondContact O-CD2 3.25Å; G239-F242 PolarHBondContact O-N 3.45Å
240M95.7Very high97.9Very high1 Ų129 Ų291%0.00516%0.155CC..Hα-helixtrans-67.1-23178.866.6179.8-70.200113.8G214 A215 V217 K220 I224 I236 G237 G238 F242 T243 F244G214-M240 PolarHBondContact O-N 3.47Å; G214-M240 VanDerWaalsContact O-N 3.13Å; A215-M240 PolarHBondContact O-N 2.81Å; V217-M240 HydrophobicContact CG2-CB 3.7Å; V217-M240 WeakPolarHBondContact CG2-O 3.36Å; K220-M240 HydrophobicContact CB-CE 4.02Å; K220-M240 HydrophobicContact CG-CE 4.32Å; K220-M240 HydrophobicContact CG-SD 4.17Å; I224-M240 HydrophobicContact CD1-CE 3.71Å; I224-M240 HydrophobicContact CG1-CE 4.5Å; I236-M240 HydrophobicContact CG2-CE 4.21Å; I236-M240 HydrophobicContact CG2-CG 4.33Å; G237-M240 WeakPolarHBondContact O-CG 3.41Å; G238-M240 PolarHBondContact O-N 3.37Å; M240-F242 VanDerWaalsContact C-N 3.26Å; M240-F242 PolarHBondContact O-N 3.13Å; M240-T243 PolarHBondContact O-N 2.95Å; M240-F244 HydrophobicContact CE-CE2 4.43Å
241A98.1Very high98Very high1 Ų126.2 Ų26.21%0.00814%0.143CC..Hα-helixtrans-64.9-28.8178.800000112.7I236 G238 G239 T243 F244 L245 L282 P283I236-A241 HydrophobicContact CG2-CB 4.39Å; G238-A241 WeakPolarHBondContact O-CB 3.34Å; G238-A241 PolarHBondContact O-N 3.5Å; G238-A241 VanDerWaalsContact O-N 3.16Å; G239-A241 PolarHBondContact O-N 3.06Å; A241-T243 VanDerWaalsContact C-N 3.31Å; A241-T243 PolarHBondContact O-N 2.85Å; A241-F244 WeakPolarHBondContact O-CB 3.41Å; A241-F244 PolarHBondContact O-N 3.05Å; A241-F244 VanDerWaalsContact O-N 3.11Å; A241-L245 WeakPolarHBondContact O-CG 3.29Å; A241-L245 PolarHBondContact O-N 2.82Å; A241-L282 HydrophobicContact CB-CD2 4.42Å; A241-P283 HydrophobicContact CB-CG 3.74Å
242F98.4Very high98Very high6 Ų632.5 Ų32.53%0.02617%0.172CC..Hα-helixtrans-64.8-34.1179-63.1-63.9000112.6G239 M240 F244 L245 K246 I253 L257 F286 I307 G313G239-F242 VanDerWaalsContact O-CD2 3.3Å; G239-F242 WeakPolarHBondContact O-CD2 3.25Å; G239-F242 PolarHBondContact O-N 3.45Å; M240-F242 VanDerWaalsContact C-N 3.26Å; M240-F242 PolarHBondContact O-N 3.13Å; F242-F244 VanDerWaalsContact C-N 3.34Å; F242-L245 PolarHBondContact O-N 3.42Å; F242-K246 VanDerWaalsContact O-CB 3.22Å; F242-K246 WeakPolarHBondContact O-CB 3.26Å; F242-K246 PolarHBondContact O-N 3.39Å; F242-I253 HydrophobicContact CB-CB 4.48Å; F242-I253 HydrophobicContact CB-CD1 4.24Å; F242-I253 HydrophobicContact CB-CG2 4.21Å; F242-I253 HydrophobicContact CD1-CB 4.49Å; F242-I253 HydrophobicContact CD1-CG2 4.22Å; F242-L257 WeakPolarHBondContact CB-O 3.38Å; F242-F286 HydrophobicContact CD1-CE1 4.37Å; F242-F286 AromaticContact CE1-CD1 3.47Å; F242-F286 HydrophobicContact CE1-CD1 3.47Å; F242-F286 VanDerWaalsContact CE1-CD1 3.47Å; F242-F286 AromaticContact CE1-CE1 3.56Å; F242-F286 HydrophobicContact CE1-CE1 3.56Å; F242-F286 HydrophobicContact CE1-CG 4.03Å; F242-F286 HydrophobicContact CE1-CZ 4.25Å; F242-F286 AromaticContact CZ-CD1 3.69Å; F242-F286 HydrophobicContact CZ-CD1 3.69Å; F242-F286 HydrophobicContact CZ-CE1 4.08Å; F242-F286 HydrophobicContact CZ-CG 4.4Å; F242-I307 HydrophobicContact CD1-CD1 4.18Å; F242-I307 HydrophobicContact CE1-CD1 3.59Å; F242-I307 HydrophobicContact CZ-CD1 4.28Å; F242-G313 WeakPolarHBondContact CE2-O 3.41Å; F242-G313 WeakPolarHBondContact CZ-O 3.45Å
243T98.1Very high98Very high2 Ų230.4 Ų30.41%0.01216%0.161CC..Hα-helixtrans-62.3-41.8172.1-58.60000111.3V217 M240 A241 V247 F258 D259 A263 V266V217-T243 HydrophobicContact CG2-CG2 3.97Å; M240-T243 PolarHBondContact O-N 2.95Å; A241-T243 VanDerWaalsContact C-N 3.31Å; A241-T243 PolarHBondContact O-N 2.85Å; T243-V247 VanDerWaalsContact O-CG2 3.25Å; T243-V247 WeakPolarHBondContact O-CG2 3.28Å; T243-V247 PolarHBondContact O-N 3.04Å; T243-F258 HydrophobicContact CG2-CD2 4.22Å; T243-F258 HydrophobicContact CG2-CE2 3.99Å; T243-D259 HydrophobicContact CG2-CB 4.47Å; T243-D259 PolarHBondContact OG1-N 3.43Å; T243-D259 VanDerWaalsContact OG1-N 3.1Å; T243-A263 HydrophobicContact CG2-CB 3.9Å; T243-V266 HydrophobicContact CG2-CG2 4.09Å
244F98.3Very high98Very high1 Ų131.2 Ų31.20%0.00417%0.174CC..Hα-helixtrans-64.1-50.8176.3-79.4-103.7000111.4V217 I224 I236 M240 A241 F242 K246 V247 L248 V266 L269 M270 L282V217-F244 HydrophobicContact CG1-CE2 4.19Å; V217-F244 HydrophobicContact CG2-CD2 4.31Å; V217-F244 HydrophobicContact CG2-CE2 4.04Å; I224-F244 HydrophobicContact CD1-CZ 4.2Å; I236-F244 HydrophobicContact CD1-CD1 4.18Å; I236-F244 HydrophobicContact CD1-CE1 3.72Å; I236-F244 HydrophobicContact CD1-CE2 4.28Å; I236-F244 HydrophobicContact CD1-CZ 3.78Å; I236-F244 HydrophobicContact CG2-CD2 4.13Å; I236-F244 HydrophobicContact CG2-CE2 4.22Å; M240-F244 HydrophobicContact CE-CE2 4.43Å; A241-F244 WeakPolarHBondContact O-CB 3.41Å; A241-F244 PolarHBondContact O-N 3.05Å; A241-F244 VanDerWaalsContact O-N 3.11Å; F242-F244 VanDerWaalsContact C-N 3.34Å; F244-K246 PolarHBondContact O-N 3.44Å; F244-V247 PolarHBondContact O-N 3.47Å; F244-L248 HydrophobicContact CB-CD1 4.38Å; F244-L248 HydrophobicContact CD1-CD1 4.28Å; F244-L248 VanDerWaalsContact O-CB 3.31Å; F244-L248 WeakPolarHBondContact O-CB 3.33Å; F244-L248 VanDerWaalsContact O-CG 3.24Å; F244-L248 WeakPolarHBondContact O-CG 3.28Å; F244-L248 PolarHBondContact O-N 3.43Å; F244-V266 HydrophobicContact CB-CG1 4.49Å; F244-V266 HydrophobicContact CD1-CG1 3.68Å; F244-V266 HydrophobicContact CD1-CG2 4.35Å; F244-V266 HydrophobicContact CD2-CG2 4.32Å; F244-V266 HydrophobicContact CE1-CG1 4.08Å; F244-V266 HydrophobicContact CE1-CG2 4.42Å; F244-V266 HydrophobicContact CE2-CG2 4.39Å; F244-V266 HydrophobicContact CG-CG1 4.15Å; F244-V266 HydrophobicContact CG-CG2 4.29Å; F244-V266 HydrophobicContact CZ-CG2 4.43Å; F244-L269 HydrophobicContact CZ-CD1 3.95Å; F244-M270 HydrophobicContact CD1-SD 4.26Å; F244-M270 HydrophobicContact CE1-SD 4.26Å; F244-L282 HydrophobicContact CB-CD1 4.18Å; F244-L282 HydrophobicContact CB-CD2 3.85Å; F244-L282 HydrophobicContact CG-CD2 4.26Å
245L98.6Very high98Very high4 Ų434.7 Ų34.72%0.02120%0.195CC..Hα-helixtrans-65.3-38-176.9-68.1165.9000112.7A241 F242 N249 N250 M251 L282 P283 F286 V303A241-L245 WeakPolarHBondContact O-CG 3.29Å; A241-L245 PolarHBondContact O-N 2.82Å; F242-L245 PolarHBondContact O-N 3.42Å; L245-N249 WeakPolarHBondContact O-CA 3.26Å; L245-N249 WeakPolarHBondContact O-CB 3.49Å; L245-N249 PolarHBondContact O-N 3.15Å; L245-N250 PolarHBondContact O-N 2.99Å; L245-M251 HydrophobicContact CB-CB 4.25Å; L245-M251 HydrophobicContact CB-SD 3.86Å; L245-M251 HydrophobicContact CD1-SD 3.98Å; L245-M251 HydrophobicContact CG-SD 4.45Å; L245-M251 PolarHBondContact O-N 2.8Å; L245-L282 HydrophobicContact CD2-CB 4.32Å; L245-L282 HydrophobicContact CD2-CD1 4.33Å; L245-P283 HydrophobicContact CD1-CG 4.15Å; L245-F286 HydrophobicContact CD1-CE1 3.9Å; L245-F286 HydrophobicContact CD1-CE2 4.35Å; L245-F286 HydrophobicContact CD1-CZ 3.35Å; L245-V303 HydrophobicContact CD1-CG2 4.23Å; L245-V303 HydrophobicContact CD2-CG1 4.41Å; L245-V303 HydrophobicContact CD2-CG2 3.8Å
246K98.3Very high98Very high78 Ų7835.1 Ų35.134%0.33920%0.198SC..Hα-helixtrans-63-42.1174.2-175.4167.9175.4-1740111.6F242 F244 N250 I253 F258F242-K246 VanDerWaalsContact O-CB 3.22Å; F242-K246 WeakPolarHBondContact O-CB 3.26Å; F242-K246 PolarHBondContact O-N 3.39Å; F244-K246 PolarHBondContact O-N 3.44Å; K246-N250 VanDerWaalsContact O-CA 3.22Å; K246-N250 WeakPolarHBondContact O-CA 3.47Å; K246-N250 PolarHBondContact O-N 2.86Å; K246-I253 HydrophobicContact CB-CD1 4.38Å; K246-I253 HydrophobicContact CB-CG2 4.2Å; K246-I253 HydrophobicContact CD-CD1 3.59Å; K246-I253 HydrophobicContact CD-CG1 4Å; K246-F258 HydrophobicContact CB-CE2 4.3Å; K246-F258 HydrophobicContact CD-CD2 3.79Å; K246-F258 HydrophobicContact CD-CE1 4.42Å; K246-F258 HydrophobicContact CD-CE2 3.66Å; K246-F258 HydrophobicContact CD-CG 4.26Å; K246-F258 HydrophobicContact CD-CZ 4Å; K246-F258 HydrophobicContact CG-CE2 4.23Å
247V97.9Very high97.9Very high40 Ų4039.4 Ų39.424%0.24222%0.221CC..Hα-helixtrans-75.9-40.6-1791740000112.9T243 F244 A263 V266 K267T243-V247 VanDerWaalsContact O-CG2 3.25Å; T243-V247 WeakPolarHBondContact O-CG2 3.28Å; T243-V247 PolarHBondContact O-N 3.04Å; F244-V247 PolarHBondContact O-N 3.47Å; V247-A263 HydrophobicContact CG2-CB 3.73Å; V247-V266 HydrophobicContact CB-CB 4.22Å; V247-V266 HydrophobicContact CB-CG1 4.03Å; V247-V266 HydrophobicContact CG1-CB 4Å; V247-V266 HydrophobicContact CG1-CG1 3.93Å; V247-V266 HydrophobicContact CG2-CB 4.48Å; V247-V266 HydrophobicContact CG2-CG2 4.38Å; V247-K267 HydrophobicContact CG1-CG 4.14Å
248L97.8Very high97.9Very high64 Ų6442.7 Ų42.734%0.33524%0.235SC..Hα-helixtrans-86.4-35.7-173-62.8175.2000113F244 V266 M270 L282F244-L248 HydrophobicContact CB-CD1 4.38Å; F244-L248 HydrophobicContact CD1-CD1 4.28Å; F244-L248 VanDerWaalsContact O-CB 3.31Å; F244-L248 WeakPolarHBondContact O-CB 3.33Å; F244-L248 VanDerWaalsContact O-CG 3.24Å; F244-L248 WeakPolarHBondContact O-CG 3.28Å; F244-L248 PolarHBondContact O-N 3.43Å; L248-V266 HydrophobicContact CD1-CG1 4.19Å; L248-V266 HydrophobicContact CD2-CG1 3.92Å; L248-V266 HydrophobicContact CG-CG1 3.84Å; L248-M270 HydrophobicContact CD1-CE 4.25Å; L248-M270 HydrophobicContact CD1-CG 3.79Å; L248-M270 HydrophobicContact CD1-SD 4.1Å; L248-M270 HydrophobicContact CD2-CG 3.94Å; L248-M270 HydrophobicContact CG-CG 4.47Å; L248-L282 HydrophobicContact CD1-CD1 3.98Å
249N97.6Very high97.7Very high92 Ų9243 Ų4349%0.49223%0.234SC..Hα-helixtrans-114.4-1.7-173.5-58.297.4000113.2L245 M251 V303L245-N249 WeakPolarHBondContact O-CA 3.26Å; L245-N249 WeakPolarHBondContact O-CB 3.49Å; L245-N249 PolarHBondContact O-N 3.15Å; N249-M251 HydrophobicContact CB-CB 4.48Å; N249-M251 PolarHBondContact O-N 2.88Å; N249-V303 HydrophobicContact CB-CG1 4.02Å
250N97.6Very high97.5Very high144 Ų14449.9 Ų49.977%0.7726%0.262SS*.  trans52.734.5-170.7-163.655.1000112.1L245 K246L245-N250 PolarHBondContact O-N 2.99Å; K246-N250 VanDerWaalsContact O-CA 3.22Å; K246-N250 WeakPolarHBondContact O-CA 3.47Å; K246-N250 PolarHBondContact O-N 2.86Å
251M98.3Very high97.2Very high10 Ų1056.8 Ų56.85%0.04929%0.294CS..  trans-67.2135.9-177.3-177.8-172.5169.700110.8L245 N249 I253 F286 V303 I307L245-M251 HydrophobicContact CB-CB 4.25Å; L245-M251 HydrophobicContact CB-SD 3.86Å; L245-M251 HydrophobicContact CD1-SD 3.98Å; L245-M251 HydrophobicContact CG-SD 4.45Å; L245-M251 PolarHBondContact O-N 2.8Å; N249-M251 HydrophobicContact CB-CB 4.48Å; N249-M251 PolarHBondContact O-N 2.88Å; M251-I253 HydrophobicContact CB-CG2 4.46Å; M251-I253 HydrophobicContact CG-CG2 4.28Å; M251-I253 PolarHBondContact O-N 2.61Å; M251-I253 HydrophobicContact SD-CG2 4.34Å; M251-F286 HydrophobicContact CE-CD2 3.84Å; M251-F286 HydrophobicContact CE-CE2 3.43Å; M251-F286 VanDerWaalsContact CE-CE2 3.43Å; M251-F286 HydrophobicContact CE-CZ 4.19Å; M251-F286 HydrophobicContact SD-CE2 4.02Å; M251-F286 HydrophobicContact SD-CZ 4.32Å; M251-V303 HydrophobicContact CB-CG1 4.42Å; M251-V303 HydrophobicContact CG-CG1 4.36Å; M251-V303 HydrophobicContact SD-CB 4.18Å; M251-V303 HydrophobicContact SD-CG1 4.17Å; M251-V303 HydrophobicContact SD-CG2 3.96Å; M251-I307 HydrophobicContact CE-CD1 4.16Å; M251-I307 HydrophobicContact CE-CG1 3.94Å
252E98.5Very high96.8Very high139 Ų13956.7 Ų56.765%0.6529%0.294SS*.  trans-70.9122.1165.7-65.3-175.8-176.200109.6G306 I307E252-G306 CarbonylContact O-C 3.54Å; E252-G306 WeakPolarHBondContact O-CA 3.41Å; E252-I307 PolarHBondContact O-N 2.91Å
253I98.6Very high96.6Very high9 Ų957.2 Ų57.25%0.04630%0.299CS..BIsolated β-bridgetrans-113.27.3-174.365.1169.6000113.6F242 K246 M251 T255 S256 F258F242-I253 HydrophobicContact CB-CB 4.48Å; F242-I253 HydrophobicContact CB-CD1 4.24Å; F242-I253 HydrophobicContact CB-CG2 4.21Å; F242-I253 HydrophobicContact CD1-CB 4.49Å; F242-I253 HydrophobicContact CD1-CG2 4.22Å; K246-I253 HydrophobicContact CB-CD1 4.38Å; K246-I253 HydrophobicContact CB-CG2 4.2Å; K246-I253 HydrophobicContact CD-CD1 3.59Å; K246-I253 HydrophobicContact CD-CG1 4Å; M251-I253 HydrophobicContact CB-CG2 4.46Å; M251-I253 HydrophobicContact CG-CG2 4.28Å; M251-I253 PolarHBondContact O-N 2.61Å; M251-I253 HydrophobicContact SD-CG2 4.34Å; I253-T255 PolarHBondContact O-N 3.05Å; I253-S256 WeakPolarHBondContact O-CB 3.36Å; I253-S256 PolarHBondContact O-N 2.78Å; I253-S256 PolarHBondContact O-OG 2.96Å; I253-F258 HydrophobicContact CD1-CB 3.9Å; I253-F258 HydrophobicContact CD1-CD2 4.19Å; I253-F258 HydrophobicContact CD1-CG 4.25Å
254G98.3Very high96.4Very high35 Ų3560.2 Ų60.236%0.36133%0.331SS..THydrogen-bonded Turntrans53.8-125.7-174.500000112.4I307 P308 W311G254-I307 PolarHBondContact N-O 3.2Å; G254-P308 WeakPolarHBondContact CA-O 3.24Å; G254-W311 CarbonylContact C-O 3.59Å; G254-W311 WeakPolarHBondContact CA-O 3.33Å
255T98.2Very high96.2Very high73 Ų7362.8 Ų62.845%0.44834%0.344SS..THydrogen-bonded Turntrans-100.115.3176.7550000113.2I253 G310 W311 M312I253-T255 PolarHBondContact O-N 3.05Å; T255-G310 PolarHBondContact OG1-O 3.43Å; T255-G310 VanDerWaalsContact OG1-O 3.09Å; T255-W311 PolarHBondContact N-O 2.77Å; T255-W311 VanDerWaalsContact OG1-C 3.3Å; T255-W311 PolarHBondContact OG1-O 2.82Å; T255-W311 VanDerWaalsContact OG1-O 3.09Å; T255-M312 WeakPolarHBondContact OG1-CE 3.27Å
256S98.4Very high96Very high10 Ų1062.6 Ų62.67%0.0734%0.343CS..SBendtrans-59.4156.6174.8-49.10000111.7I253 F258 I307 M312 G313I253-S256 WeakPolarHBondContact O-CB 3.36Å; I253-S256 PolarHBondContact O-N 2.78Å; I253-S256 PolarHBondContact O-OG 2.96Å; S256-F258 PolarHBondContact O-N 3.37Å; S256-I307 WeakPolarHBondContact OG-CD1 3.43Å; S256-M312 WeakPolarHBondContact OG-CA 3.47Å; S256-G313 PolarHBondContact OG-N 2.84Å
257L97.1Very high95.9Very high91 Ų9165.5 Ų65.548%0.47636%0.355SS..  trans-56.4127.9-179.5-68.8178.1000111.1A215 F242A215-L257 HydrophobicContact CB-CD1 3.75Å; A215-L257 WeakPolarHBondContact O-CD1 3.06Å; F242-L257 WeakPolarHBondContact CB-O 3.38Å
258F96.8Very high95.9Very high70 Ų7068.5 Ų68.531%0.30737%0.37SS..  trans-132130.7175.6-175.9-122.8000109.6T243 K246 I253 S256 E260 A263T243-F258 HydrophobicContact CG2-CD2 4.22Å; T243-F258 HydrophobicContact CG2-CE2 3.99Å; K246-F258 HydrophobicContact CB-CE2 4.3Å; K246-F258 HydrophobicContact CD-CD2 3.79Å; K246-F258 HydrophobicContact CD-CE1 4.42Å; K246-F258 HydrophobicContact CD-CE2 3.66Å; K246-F258 HydrophobicContact CD-CG 4.26Å; K246-F258 HydrophobicContact CD-CZ 4Å; K246-F258 HydrophobicContact CG-CE2 4.23Å; I253-F258 HydrophobicContact CD1-CB 3.9Å; I253-F258 HydrophobicContact CD1-CD2 4.19Å; I253-F258 HydrophobicContact CD1-CG 4.25Å; S256-F258 PolarHBondContact O-N 3.37Å; F258-E260 HydrophobicContact CD1-CG 3.8Å; F258-E260 HydrophobicContact CE1-CB 4.45Å; F258-E260 HydrophobicContact CE1-CG 3.59Å; F258-A263 HydrophobicContact CE2-CB 3.92Å; F258-A263 HydrophobicContact CZ-CB 3.75Å
259D93.2Very high95.8Very high17 Ų1765.9 Ų65.99%0.09136%0.356CS..  trans-109.597.2179.2-171.9-10.3000108.8V217 K218 T243 E261 G262 A263V217-D259 HydrophobicContact CB-CB 4.3Å; V217-D259 PolarHBondContact N-OD2 2.9Å; K218-D259 WeakPolarHBondContact CB-OD2 3.42Å; K218-D259 WeakPolarHBondContact CG-OD2 3.37Å; K218-D259 PolarHBondContact N-OD2 3.16Å; T243-D259 HydrophobicContact CG2-CB 4.47Å; T243-D259 PolarHBondContact OG1-N 3.43Å; T243-D259 VanDerWaalsContact OG1-N 3.1Å; D259-E261 VanDerWaalsContact C-N 3.3Å; D259-E261 PolarHBondContact O-N 3.14Å; D259-E261 PolarHBondContact OD1-N 3.04Å; D259-G262 PolarHBondContact O-N 3.18Å; D259-G262 PolarHBondContact OD1-N 3.43Å; D259-G262 VanDerWaalsContact OD1-N 3.11Å; D259-A263 WeakPolarHBondContact O-CB 3.41Å; D259-A263 PolarHBondContact O-N 3.39Å
260E93.1Very high95.9Very high160 Ų16063.9 Ų63.975%0.74835%0.345SS*.Hα-helixtrans-59.9-39.7-177.6-72.4-176.617500112.5F258 A263F258-E260 HydrophobicContact CD1-CG 3.8Å; F258-E260 HydrophobicContact CE1-CB 4.45Å; F258-E260 HydrophobicContact CE1-CG 3.59Å; E260-A263 WeakPolarHBondContact O-CB 3.31Å; E260-A263 PolarHBondContact O-N 3.43Å
261E89.9Confident95.9Very high146 Ų14659.6 Ų59.668%0.68233%0.329SS*.Hα-helixtrans-67.8-46.1177.5-172.7-178.9-179.200110.2D259 A263 G264D259-E261 VanDerWaalsContact C-N 3.3Å; D259-E261 PolarHBondContact O-N 3.14Å; D259-E261 PolarHBondContact OD1-N 3.04Å; E261-A263 VanDerWaalsContact C-N 3.3Å; E261-A263 PolarHBondContact O-N 2.95Å; E261-G264 PolarHBondContact O-N 2.79Å
262G89.7Confident95.9Very high0 Ų060.9 Ų60.90%033%0.334CS..Hα-helixtrans-64.7-29176.200000114.2D259 G264 I265D259-G262 PolarHBondContact O-N 3.18Å; D259-G262 PolarHBondContact OD1-N 3.43Å; D259-G262 VanDerWaalsContact OD1-N 3.11Å; G262-G264 PolarHBondContact O-N 2.66Å; G262-I265 PolarHBondContact O-N 3.45Å
263A93.8Very high95.9Very high17 Ų1754.3 Ų54.314%0.1430%0.304CS..Hα-helixtrans-59.8-33.2179.300000112.6T243 V247 F258 D259 E260 E261 I265 V266T243-A263 HydrophobicContact CG2-CB 3.9Å; V247-A263 HydrophobicContact CG2-CB 3.73Å; F258-A263 HydrophobicContact CE2-CB 3.92Å; F258-A263 HydrophobicContact CZ-CB 3.75Å; D259-A263 WeakPolarHBondContact O-CB 3.41Å; D259-A263 PolarHBondContact O-N 3.39Å; E260-A263 WeakPolarHBondContact O-CB 3.31Å; E260-A263 PolarHBondContact O-N 3.43Å; E261-A263 VanDerWaalsContact C-N 3.3Å; E261-A263 PolarHBondContact O-N 2.95Å; A263-I265 PolarHBondContact O-N 3.03Å; A263-V266 PolarHBondContact O-N 3.18Å
264G93.8Very high95.9Very high65 Ų6561.6 Ų61.667%0.6734%0.338SS*.THydrogen-bonded Turntrans-61.8-28.2-18000000114.1E261 G262E261-G264 PolarHBondContact O-N 2.79Å; G262-G264 PolarHBondContact O-N 2.66Å
265I93.9Very high95.9Very high55 Ų5568.4 Ų68.428%0.28236%0.357SS..THydrogen-bonded Turntrans-102.9-5.5-174.7-149160.8000113.8I221 G262 A263 K267 D268 L269I221-I265 HydrophobicContact CD1-CG2 3.85Å; I221-I265 HydrophobicContact CG1-CG2 3.97Å; I221-I265 HydrophobicContact CG2-CD1 3.99Å; I221-I265 HydrophobicContact CG2-CG2 4.22Å; G262-I265 PolarHBondContact O-N 3.45Å; A263-I265 PolarHBondContact O-N 3.03Å; I265-K267 VanDerWaalsContact C-N 3.3Å; I265-K267 PolarHBondContact O-N 3.05Å; I265-D268 HydrophobicContact CG1-CB 4.06Å; I265-D268 PolarHBondContact O-N 2.98Å; I265-D268 VanDerWaalsContact O-N 3.1Å; I265-L269 HydrophobicContact CG2-CD1 3.95Å; I265-L269 HydrophobicContact CG2-CG 4.25Å; I265-L269 WeakPolarHBondContact O-CG 3.29Å; I265-L269 PolarHBondContact O-N 3.34Å
266V95.8Very high95.9Very high0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-54.7-46.3-177.2165.90000111.5T243 F244 V247 L248 A263 D268 L269 M270T243-V266 HydrophobicContact CG2-CG2 4.09Å; F244-V266 HydrophobicContact CB-CG1 4.49Å; F244-V266 HydrophobicContact CD1-CG1 3.68Å; F244-V266 HydrophobicContact CD1-CG2 4.35Å; F244-V266 HydrophobicContact CD2-CG2 4.32Å; F244-V266 HydrophobicContact CE1-CG1 4.08Å; F244-V266 HydrophobicContact CE1-CG2 4.42Å; F244-V266 HydrophobicContact CE2-CG2 4.39Å; F244-V266 HydrophobicContact CG-CG1 4.15Å; F244-V266 HydrophobicContact CG-CG2 4.29Å; F244-V266 HydrophobicContact CZ-CG2 4.43Å; V247-V266 HydrophobicContact CB-CB 4.22Å; V247-V266 HydrophobicContact CB-CG1 4.03Å; V247-V266 HydrophobicContact CG1-CB 4Å; V247-V266 HydrophobicContact CG1-CG1 3.93Å; V247-V266 HydrophobicContact CG2-CB 4.48Å; V247-V266 HydrophobicContact CG2-CG2 4.38Å; L248-V266 HydrophobicContact CD1-CG1 4.19Å; L248-V266 HydrophobicContact CD2-CG1 3.92Å; L248-V266 HydrophobicContact CG-CG1 3.84Å; A263-V266 PolarHBondContact O-N 3.18Å; V266-D268 VanDerWaalsContact C-N 3.31Å; V266-D268 PolarHBondContact O-N 3.41Å; V266-L269 PolarHBondContact O-N 2.98Å; V266-M270 WeakPolarHBondContact O-CG 3.27Å; V266-M270 PolarHBondContact O-N 3.45Å
267K96.5Very high95.9Very high139 Ų13970.6 Ų70.660%0.60438%0.381SS*.Hα-helixtrans-64.6-37.2-179.2-66.3-175-179.5179.40111.9V247 I265 M270 A271V247-K267 HydrophobicContact CG1-CG 4.14Å; I265-K267 VanDerWaalsContact C-N 3.3Å; I265-K267 PolarHBondContact O-N 3.05Å; K267-M270 PolarHBondContact O-N 2.97Å; K267-A271 WeakPolarHBondContact O-CB 3.47Å; K267-A271 PolarHBondContact O-N 2.96Å
268D97Very high96Very high103 Ų10366.8 Ų66.855%0.55136%0.361SS*.Hα-helixtrans-67.9-40.3177.8-61.9-19000111.4I265 V266 A271 K272I265-D268 HydrophobicContact CG1-CB 4.06Å; I265-D268 PolarHBondContact O-N 2.98Å; I265-D268 VanDerWaalsContact O-N 3.1Å; V266-D268 VanDerWaalsContact C-N 3.31Å; V266-D268 PolarHBondContact O-N 3.41Å; D268-A271 PolarHBondContact O-N 3.49Å; D268-K272 WeakPolarHBondContact O-CB 3.41Å; D268-K272 PolarHBondContact O-N 2.85Å
269L96.9Very high96.1Very high8 Ų869.5 Ų69.54%0.04237%0.369CS..Hα-helixtrans-63.3-43174.3-66176.1000111.4I224 N225 L228 F244 I265 V266 K272 A273I224-L269 HydrophobicContact CB-CD1 4.43Å; I224-L269 HydrophobicContact CB-CD2 4.46Å; I224-L269 HydrophobicContact CD1-CD1 4.03Å; I224-L269 HydrophobicContact CG2-CD1 4.09Å; I224-L269 HydrophobicContact CG2-CD2 4.02Å; I224-L269 HydrophobicContact CG2-CG 4.47Å; N225-L269 HydrophobicContact CB-CD2 4.22Å; L228-L269 HydrophobicContact CD1-CB 4.48Å; L228-L269 HydrophobicContact CD1-CD2 4.34Å; L228-L269 WeakPolarHBondContact CD1-O 3.49Å; F244-L269 HydrophobicContact CZ-CD1 3.95Å; I265-L269 HydrophobicContact CG2-CD1 3.95Å; I265-L269 HydrophobicContact CG2-CG 4.25Å; I265-L269 WeakPolarHBondContact O-CG 3.29Å; I265-L269 PolarHBondContact O-N 3.34Å; V266-L269 PolarHBondContact O-N 2.98Å; L269-K272 PolarHBondContact O-N 3.05Å; L269-A273 WeakPolarHBondContact O-CB 3.49Å; L269-A273 PolarHBondContact O-N 3.05Å
270M98.1Very high96.3Very high51 Ų5170.4 Ų70.425%0.25137%0.374SS..Hα-helixtrans-66-41176.3-67.4-52.2-68.500112.2F244 L248 V266 K267 K272 A273 E274 I280F244-M270 HydrophobicContact CD1-SD 4.26Å; F244-M270 HydrophobicContact CE1-SD 4.26Å; L248-M270 HydrophobicContact CD1-CE 4.25Å; L248-M270 HydrophobicContact CD1-CG 3.79Å; L248-M270 HydrophobicContact CD1-SD 4.1Å; L248-M270 HydrophobicContact CD2-CG 3.94Å; L248-M270 HydrophobicContact CG-CG 4.47Å; V266-M270 WeakPolarHBondContact O-CG 3.27Å; V266-M270 PolarHBondContact O-N 3.45Å; K267-M270 PolarHBondContact O-N 2.97Å; M270-K272 VanDerWaalsContact C-N 3.32Å; M270-K272 PolarHBondContact O-N 3.19Å; M270-A273 WeakPolarHBondContact O-CB 3.17Å; M270-A273 PolarHBondContact O-N 2.79Å; M270-E274 PolarHBondContact O-N 3.15Å; M270-I280 HydrophobicContact CE-CB 3.93Å; M270-I280 HydrophobicContact CE-CG1 3.88Å; M270-I280 HydrophobicContact CE-CG2 4.08Å; M270-I280 HydrophobicContact SD-CB 4.43Å; M270-I280 HydrophobicContact SD-CG1 4.05Å; M270-I280 HydrophobicContact SD-CG2 4.16Å
271A98.3Very high96.6Very high53 Ų5363.5 Ų63.544%0.43834%0.342SS..Hα-helixtrans-63.5-38.7175.300000111.8K267 D268 E274 K275K267-A271 WeakPolarHBondContact O-CB 3.47Å; K267-A271 PolarHBondContact O-N 2.96Å; D268-A271 PolarHBondContact O-N 3.49Å; A271-E274 PolarHBondContact O-N 2.93Å; A271-K275 VanDerWaalsContact O-CB 3.32Å; A271-K275 WeakPolarHBondContact O-CB 3.36Å; A271-K275 PolarHBondContact O-N 2.86Å
272K98.4Very high97Very high38 Ų3857.9 Ų57.917%0.16532%0.317CS..Hα-helixtrans-65.5-42.7173.3-174.9176.8-175.5-176.20111.7N225 L228 D229 D268 L269 M270 K275 N276N225-K272 PolarHBondContact O-NZ 3.27Å; N225-K272 VanDerWaalsContact OD1-CD 3.28Å; N225-K272 WeakPolarHBondContact OD1-CD 3.21Å; N225-K272 PolarHBondContact OD1-NZ 2.96Å; L228-K272 HydrophobicContact CB-CD 4.2Å; L228-K272 HydrophobicContact CB-CG 4.35Å; L228-K272 HydrophobicContact CD1-CB 4.17Å; L228-K272 HydrophobicContact CD1-CD 4.17Å; L228-K272 HydrophobicContact CD1-CG 4.22Å; D229-K272 WeakPolarHBondContact OD1-CE 3.32Å; D229-K272 IonicContact OD1-NZ 3.22Å; D229-K272 PolarHBondContact OD1-NZ 3.18Å; D229-K272 VanDerWaalsContact OD1-NZ 3.09Å; D229-K272 IonicContact OD2-NZ 3.32Å; D229-K272 PolarHBondContact OD2-NZ 2.81Å; D268-K272 WeakPolarHBondContact O-CB 3.41Å; D268-K272 PolarHBondContact O-N 2.85Å; L269-K272 PolarHBondContact O-N 3.05Å; M270-K272 VanDerWaalsContact C-N 3.32Å; M270-K272 PolarHBondContact O-N 3.19Å; K272-K275 PolarHBondContact O-N 3.19Å; K272-N276 WeakPolarHBondContact O-CB 3.39Å; K272-N276 PolarHBondContact O-N 2.9Å
273A98.4Very high97.4Very high1 Ų158.1 Ų58.11%0.00832%0.318CS..Hα-helixtrans-58.7-47.5175.900000111.2L228 L269 M270 N276 G277 V278 I280L228-A273 HydrophobicContact CD1-CB 4.41Å; L228-A273 HydrophobicContact CD2-CB 3.75Å; L269-A273 WeakPolarHBondContact O-CB 3.49Å; L269-A273 PolarHBondContact O-N 3.05Å; M270-A273 WeakPolarHBondContact O-CB 3.17Å; M270-A273 PolarHBondContact O-N 2.79Å; A273-N276 CarbonylContact O-C 3.59Å; A273-N276 PolarHBondContact O-N 3.33Å; A273-G277 PolarHBondContact O-N 2.92Å; A273-V278 HydrophobicContact CB-CB 4.16Å; A273-V278 PolarHBondContact O-N 3.43Å; A273-I280 HydrophobicContact CB-CD1 3.75Å; A273-I280 HydrophobicContact CB-CG1 3.67Å
274E98.3Very high97.7Very high161 Ų16159.9 Ų59.975%0.75233%0.328SS*.Hα-helixtrans-60.2-48.4175.7-176.2176.1-164.200111.9M270 A271 N276 G277M270-E274 PolarHBondContact O-N 3.15Å; A271-E274 PolarHBondContact O-N 2.93Å; E274-N276 PolarHBondContact O-N 3.05Å; E274-G277 PolarHBondContact O-N 2.97Å
275K98.4Very high97.9Very high179 Ų17957.8 Ų57.878%0.77830%0.301SS*.Hα-helixtrans-56-39.4177.6-178.1-174.2179.9-1740112.7A271 K272 G277A271-K275 VanDerWaalsContact O-CB 3.32Å; A271-K275 WeakPolarHBondContact O-CB 3.36Å; A271-K275 PolarHBondContact O-N 2.86Å; K272-K275 PolarHBondContact O-N 3.19Å; K275-G277 VanDerWaalsContact C-N 3.35Å
276N98.3Very high98.1Very high65 Ų6555.4 Ų55.435%0.34829%0.288SS..THydrogen-bonded Turntrans-89.5-0.4-178.6-70.72.4000112.9L228 D229 K272 A273 E274 V278L228-N276 PolarHBondContact O-ND2 2.78Å; D229-N276 PolarHBondContact OD1-ND2 3.23Å; K272-N276 WeakPolarHBondContact O-CB 3.39Å; K272-N276 PolarHBondContact O-N 2.9Å; A273-N276 CarbonylContact O-C 3.59Å; A273-N276 PolarHBondContact O-N 3.33Å; E274-N276 PolarHBondContact O-N 3.05Å; N276-V278 VanDerWaalsContact C-N 3.29Å; N276-V278 HydrophobicContact CB-CG2 3.93Å; N276-V278 PolarHBondContact O-N 2.86Å
277G98.3Very high98.3Very high64 Ų6457 Ų5766%0.6630%0.298SS*.THydrogen-bonded Turntrans69.722.9-177.900000114.2A273 E274 K275A273-G277 PolarHBondContact O-N 2.92Å; E274-G277 PolarHBondContact O-N 2.97Å; K275-G277 VanDerWaalsContact C-N 3.35Å
278V98.8Very high98.4Very high10 Ų1050.5 Ų50.56%0.06127%0.27CS..  trans-80.6124.1-179.6-176.10000110.4L228 V231 D232 M234 A273 N276 I280L228-V278 HydrophobicContact CD2-CB 4.07Å; L228-V278 HydrophobicContact CD2-CG1 3.89Å; L228-V278 HydrophobicContact CD2-CG2 4.14Å; V231-V278 HydrophobicContact CG2-CG1 3.74Å; V231-V278 HydrophobicContact CG2-CG2 4.46Å; V231-V278 WeakPolarHBondContact O-CG2 3.3Å; D232-V278 WeakPolarHBondContact O-CA 3.23Å; M234-V278 HydrophobicContact CB-CG1 4.24Å; A273-V278 HydrophobicContact CB-CB 4.16Å; A273-V278 PolarHBondContact O-N 3.43Å; N276-V278 VanDerWaalsContact C-N 3.29Å; N276-V278 HydrophobicContact CB-CG2 3.93Å; N276-V278 PolarHBondContact O-N 2.86Å; V278-I280 HydrophobicContact CG1-CD1 4.01Å; V278-I280 PolarHBondContact O-N 3.39Å
279R98.6Very high98.5Very high127 Ų12745.6 Ų45.648%0.47924%0.244SC..EExtended strand (participates in β ladder)trans-79112.2174.8-175.2179.4176.4174.6-1.2110.9D232 E233 M234D232-R279 PolarHBondContact O-N 3.09Å; E233-R279 WeakPolarHBondContact CA-O 3.37Å; E233-R279 HydrophobicContact CG-CB 4.08Å; M234-R279 PolarHBondContact N-O 2.93Å
280I98.6Very high98.5Very high36 Ų3648 Ų4819%0.18526%0.257CS..EExtended strand (participates in β ladder)trans-87.9130.5174.3-53.9-56.2000110.6L228 M234 I236 M270 A273 V278 L282L228-I280 HydrophobicContact CD2-CD1 4.05Å; M234-I280 HydrophobicContact CB-CD1 3.79Å; M234-I280 HydrophobicContact CG-CD1 4.49Å; M234-I280 CarbonylContact O-C 3.56Å; M234-I280 WeakPolarHBondContact O-CA 3.29Å; M234-I280 HydrophobicContact SD-CD1 4.43Å; I236-I280 HydrophobicContact CD1-CG2 4.11Å; M270-I280 HydrophobicContact CE-CB 3.93Å; M270-I280 HydrophobicContact CE-CG1 3.88Å; M270-I280 HydrophobicContact CE-CG2 4.08Å; M270-I280 HydrophobicContact SD-CB 4.43Å; M270-I280 HydrophobicContact SD-CG1 4.05Å; M270-I280 HydrophobicContact SD-CG2 4.16Å; A273-I280 HydrophobicContact CB-CD1 3.75Å; A273-I280 HydrophobicContact CB-CG1 3.67Å; V278-I280 HydrophobicContact CG1-CD1 4.01Å; V278-I280 PolarHBondContact O-N 3.39Å; I280-L282 HydrophobicContact CG2-CG 4.22Å
281T98.8Very high98.5Very high15 Ų1550.6 Ų50.69%0.09227%0.267CS..EExtended strand (participates in β ladder)trans-117.5109.8173.4-54.30000109.7M234 I235 I236 L323 Y324M234-T281 PolarHBondContact O-N 2.9Å; I235-T281 WeakPolarHBondContact CA-O 3.15Å; I236-T281 PolarHBondContact N-O 3.29Å; T281-L323 HydrophobicContact CG2-CB 4.18Å; T281-Y324 HydrophobicContact CG2-CD1 3.91Å; T281-Y324 HydrophobicContact CG2-CE1 4.09Å
282L98.8Very high98.5Very high29 Ų2954.3 Ų54.315%0.15227%0.273CS..  trans-99.4156.5174.1-74.8165.5000110.3I236 A241 F244 L245 L248 I280I236-L282 HydrophobicContact CB-CD2 3.77Å; I236-L282 HydrophobicContact CG2-CD2 3.91Å; A241-L282 HydrophobicContact CB-CD2 4.42Å; F244-L282 HydrophobicContact CB-CD1 4.18Å; F244-L282 HydrophobicContact CB-CD2 3.85Å; F244-L282 HydrophobicContact CG-CD2 4.26Å; L245-L282 HydrophobicContact CD2-CB 4.32Å; L245-L282 HydrophobicContact CD2-CD1 4.33Å; L248-L282 HydrophobicContact CD1-CD1 3.98Å; I280-L282 HydrophobicContact CG2-CG 4.22Å
283P98.7Very high98.5Very high4 Ų455.5 Ų55.53%0.02628%0.281CS..  trans-66.9146.8172.528.3-32.4000110.8I236 A241 L245 F286 C316 S320 Y324I236-P283 VanDerWaalsContact O-CD 3.22Å; I236-P283 WeakPolarHBondContact O-CD 3.37Å; A241-P283 HydrophobicContact CB-CG 3.74Å; L245-P283 HydrophobicContact CD1-CG 4.15Å; P283-F286 HydrophobicContact CB-CD1 4.46Å; P283-F286 HydrophobicContact CB-CE1 3.65Å; P283-F286 HydrophobicContact CB-CZ 4.07Å; P283-F286 HydrophobicContact CG-CE1 3.53Å; P283-F286 HydrophobicContact CG-CZ 4.02Å; P283-C316 HydrophobicContact CB-CB 4.32Å; P283-S320 WeakPolarHBondContact CA-OG 3.33Å; P283-S320 WeakPolarHBondContact CB-OG 3.44Å; P283-Y324 WeakPolarHBondContact CB-OH 3.4Å; P283-Y324 VanDerWaalsContact CD-OH 3.3Å; P283-Y324 WeakPolarHBondContact CD-OH 3.23Å
284V98.8Very high98.4Very high55 Ų5559.8 Ų59.833%0.33330%0.301SS..SBendtrans-113.2-15.5-179.5-61.20000112.9T302 V303 E319 S320 L323V284-T302 WeakPolarHBondContact O-CA 3.41Å; V284-V303 PolarHBondContact O-N 2.85Å; V284-E319 HydrophobicContact CG2-CB 4Å; V284-E319 HydrophobicContact CG2-CG 3.63Å; V284-S320 PolarHBondContact N-OG 2.99Å; V284-L323 HydrophobicContact CB-CD1 4.47Å; V284-L323 HydrophobicContact CG1-CD1 3.8Å; V284-L323 HydrophobicContact CG2-CD1 3.79Å
285D98.8Very high98.3Very high20 Ų2058 Ų5811%0.10730%0.297CS..EExtended strand (participates in β ladder)trans-146.7158.5178.667.5-18000111.4A301 T302 G317 P318 E319 S320D285-A301 CarbonylContact C-O 3.52Å; D285-A301 VanDerWaalsContact CA-O 3.23Å; D285-A301 WeakPolarHBondContact CA-O 3.25Å; D285-T302 HydrophobicContact CB-CG2 4.21Å; D285-G317 VanDerWaalsContact CG-CA 3.41Å; D285-G317 PolarHBondContact O-N 2.89Å; D285-G317 VanDerWaalsContact OD1-C 3.29Å; D285-G317 VanDerWaalsContact OD1-CA 3.27Å; D285-G317 WeakPolarHBondContact OD1-CA 3.06Å; D285-G317 PolarHBondContact OD1-N 3.42Å; D285-G317 WeakPolarHBondContact OD2-CA 3.47Å; D285-P318 WeakPolarHBondContact OD2-CD 3.42Å; D285-E319 PolarHBondContact OD1-N 3Å; D285-E319 WeakPolarHBondContact OD2-CB 3.43Å; D285-E319 PolarHBondContact OD2-N 3.27Å; D285-S320 PolarHBondContact N-OG 2.89Å; D285-S320 VanDerWaalsContact N-OG 3.1Å; D285-S320 PolarHBondContact O-OG 3.45Å; D285-S320 VanDerWaalsContact O-OG 3.08Å; D285-S320 VanDerWaalsContact OD1-CB 3.23Å; D285-S320 WeakPolarHBondContact OD1-CB 3.4Å; D285-S320 PolarHBondContact OD1-N 3.38Å; D285-S320 PolarHBondContact OD1-OG 3.17Å
286F98.8Very high98.3Very high5 Ų549.8 Ų49.82%0.02226%0.263CS..EExtended strand (participates in β ladder)trans-143.1147.5-166.7-48.9-81.6000111.5F242 L245 M251 P283 T288 S300 A301 V303 I307 D315F242-F286 HydrophobicContact CD1-CE1 4.37Å; F242-F286 AromaticContact CE1-CD1 3.47Å; F242-F286 HydrophobicContact CE1-CD1 3.47Å; F242-F286 VanDerWaalsContact CE1-CD1 3.47Å; F242-F286 AromaticContact CE1-CE1 3.56Å; F242-F286 HydrophobicContact CE1-CE1 3.56Å; F242-F286 HydrophobicContact CE1-CG 4.03Å; F242-F286 HydrophobicContact CE1-CZ 4.25Å; F242-F286 AromaticContact CZ-CD1 3.69Å; F242-F286 HydrophobicContact CZ-CD1 3.69Å; F242-F286 HydrophobicContact CZ-CE1 4.08Å; F242-F286 HydrophobicContact CZ-CG 4.4Å; L245-F286 HydrophobicContact CD1-CE1 3.9Å; L245-F286 HydrophobicContact CD1-CE2 4.35Å; L245-F286 HydrophobicContact CD1-CZ 3.35Å; M251-F286 HydrophobicContact CE-CD2 3.84Å; M251-F286 HydrophobicContact CE-CE2 3.43Å; M251-F286 VanDerWaalsContact CE-CE2 3.43Å; M251-F286 HydrophobicContact CE-CZ 4.19Å; M251-F286 HydrophobicContact SD-CE2 4.02Å; M251-F286 HydrophobicContact SD-CZ 4.32Å; P283-F286 HydrophobicContact CB-CD1 4.46Å; P283-F286 HydrophobicContact CB-CE1 3.65Å; P283-F286 HydrophobicContact CB-CZ 4.07Å; P283-F286 HydrophobicContact CG-CE1 3.53Å; P283-F286 HydrophobicContact CG-CZ 4.02Å; F286-T288 HydrophobicContact CB-CG2 4.47Å; F286-S300 VanDerWaalsContact O-CA 3.29Å; F286-S300 WeakPolarHBondContact O-CA 3.35Å; F286-A301 HydrophobicContact CD2-CB 4.43Å; F286-A301 PolarHBondContact N-O 3.25Å; F286-A301 PolarHBondContact O-N 2.81Å; F286-V303 HydrophobicContact CE2-CG2 3.85Å; F286-V303 HydrophobicContact CZ-CG2 4.01Å; F286-I307 HydrophobicContact CG-CD1 4.48Å; F286-D315 WeakPolarHBondContact CA-O 3.32Å
287V98.8Very high98.2Very high34 Ų3450.9 Ų50.921%0.20627%0.271CS..EExtended strand (participates in β ladder)trans-88.6123.6159.9-175.50000107.7G313 L314 D315 F348V287-G313 WeakPolarHBondContact O-CA 3.39Å; V287-L314 PolarHBondContact O-N 3.38Å; V287-D315 HydrophobicContact CB-CB 4.11Å; V287-D315 HydrophobicContact CG2-CB 4.28Å; V287-D315 PolarHBondContact N-O 3.16Å; V287-F348 HydrophobicContact CG1-CD1 3.97Å; V287-F348 HydrophobicContact CG1-CE1 4.06Å
288T98.8Very high98.3Very high3 Ų351.3 Ų51.32%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-106.7159.1-177.160.30000112.1F286 T298 G299 S300 A301 I307 M312F286-T288 HydrophobicContact CB-CG2 4.47Å; T288-T298 CarbonylContact O-C 3.52Å; T288-T298 VanDerWaalsContact O-CA 3.25Å; T288-T298 WeakPolarHBondContact O-CA 3.5Å; T288-G299 PolarHBondContact N-O 3.03Å; T288-G299 PolarHBondContact O-N 3.19Å; T288-G299 WeakPolarHBondContact OG1-CA 3.42Å; T288-G299 PolarHBondContact OG1-O 3.33Å; T288-S300 PolarHBondContact OG1-N 2.89Å; T288-A301 HydrophobicContact CG2-CB 3.71Å; T288-I307 HydrophobicContact CG2-CD1 4.26Å; T288-I307 HydrophobicContact CG2-CG1 3.94Å; T288-I307 HydrophobicContact CG2-CG2 4.08Å; T288-M312 CarbonylContact C-O 3.5Å; T288-M312 WeakPolarHBondContact CA-O 3.41Å
289A98.6Very high98.2Very high0 Ų052.1 Ų52.10%027%0.272CS..EExtended strand (participates in β ladder)trans-136.5146.8177.800000110.9K291 A296 T297 W311 M312 L314 F348A289-K291 VanDerWaalsContact C-N 3.3Å; A289-K291 WeakPolarHBondContact CB-O 3.33Å; A289-A296 HydrophobicContact CB-CB 3.85Å; A289-T297 WeakPolarHBondContact CA-O 3.49Å; A289-W311 VanDerWaalsContact C-CE3 3.43Å; A289-W311 CarbonylContact O-C 3.59Å; A289-W311 VanDerWaalsContact O-CA 3.27Å; A289-W311 WeakPolarHBondContact O-CA 3.31Å; A289-M312 HydrophobicContact CB-CG 4.36Å; A289-M312 PolarHBondContact N-O 2.89Å; A289-M312 PolarHBondContact O-N 3.32Å; A289-L314 HydrophobicContact CB-CD1 3.54Å; A289-L314 HydrophobicContact CB-CG 4.09Å; A289-F348 HydrophobicContact CB-CE1 3.92Å; A289-F348 HydrophobicContact CB-CZ 3.7Å
290D98.3Very high98.2Very high58 Ų5851.3 Ų51.331%0.3129%0.286SS..SBendtrans-75.3-18175.169.3-33.4000113.3A296 T297 W311D290-A296 WeakPolarHBondContact OD1-CB 3.33Å; D290-T297 PolarHBondContact N-O 3.36Å; D290-T297 PolarHBondContact OD1-N 2.95Å; D290-W311 HydrophobicContact CB-CD2 4.3Å; D290-W311 HydrophobicContact CB-CH2 4.42Å; D290-W311 HydrophobicContact CB-CZ2 4.1Å
291K97.9Very high98.2Very high106 Ų10649.9 Ų49.946%0.46128%0.28SS..SBendtrans-156.7163.7176.659.5-173.1159.2178.40111.1A289 D293 A296A289-K291 VanDerWaalsContact C-N 3.3Å; A289-K291 WeakPolarHBondContact CB-O 3.33Å; K291-D293 VanDerWaalsContact C-N 3.31Å; K291-D293 HydrophobicContact CD-CB 4.1Å; K291-D293 HydrophobicContact CG-CB 3.89Å; K291-D293 PolarHBondContact O-N 2.82Å; K291-A296 HydrophobicContact CG-CB 3.83Å; K291-A296 VanDerWaalsContact O-CB 3.25Å; K291-A296 WeakPolarHBondContact O-CB 3.49Å
292F97.7Very high98.2Very high130 Ų13052.2 Ų52.257%0.5729%0.294SS*.SBendtrans-82.875.8174.9-168-108.9000110.6M312 L314 V342 W345F292-M312 HydrophobicContact CB-CE 4.43Å; F292-M312 HydrophobicContact CB-SD 3.75Å; F292-M312 HydrophobicContact CD2-SD 4.16Å; F292-M312 HydrophobicContact CG-SD 4.45Å; F292-L314 HydrophobicContact CD2-CD1 4.19Å; F292-L314 HydrophobicContact CD2-CD2 3.82Å; F292-L314 HydrophobicContact CE2-CD2 4.08Å; F292-V342 HydrophobicContact CE2-CG1 4.41Å; F292-V342 HydrophobicContact CE2-CG2 3.99Å; F292-V342 HydrophobicContact CZ-CG1 4.49Å; F292-W345 AromaticContact CD1-CH2 3.63Å; F292-W345 HydrophobicContact CD1-CH2 3.63Å; F292-W345 HydrophobicContact CD1-CZ3 4.34Å; F292-W345 AromaticContact CD2-CH2 3.94Å; F292-W345 HydrophobicContact CD2-CH2 3.94Å; F292-W345 AromaticContact CD2-CZ3 3.8Å; F292-W345 HydrophobicContact CD2-CZ3 3.8Å; F292-W345 AromaticContact CE1-CH2 3.55Å; F292-W345 HydrophobicContact CE1-CH2 3.55Å; F292-W345 HydrophobicContact CE1-CZ2 4.24Å; F292-W345 HydrophobicContact CE1-CZ3 4.3Å; F292-W345 AromaticContact CE2-CH2 3.87Å; F292-W345 HydrophobicContact CE2-CH2 3.87Å; F292-W345 AromaticContact CE2-CZ3 3.77Å; F292-W345 HydrophobicContact CE2-CZ3 3.77Å; F292-W345 AromaticContact CG-CH2 3.82Å; F292-W345 HydrophobicContact CG-CH2 3.82Å; F292-W345 HydrophobicContact CG-CZ3 4.09Å; F292-W345 AromaticContact CZ-CH2 3.67Å; F292-W345 HydrophobicContact CZ-CH2 3.67Å; F292-W345 HydrophobicContact CZ-CZ2 4.43Å; F292-W345 HydrophobicContact CZ-CZ3 4.02Å
293D97.6Very high98.2Very high64 Ų6452.4 Ų52.434%0.34230%0.296SS..SBendtrans-144.8147.2-179-168.4-86.7000110.1K291 N295 A296K291-D293 VanDerWaalsContact C-N 3.31Å; K291-D293 HydrophobicContact CD-CB 4.1Å; K291-D293 HydrophobicContact CG-CB 3.89Å; K291-D293 PolarHBondContact O-N 2.82Å; D293-N295 PolarHBondContact O-N 3.1Å; D293-N295 WeakPolarHBondContact OD1-CA 3.48Å; D293-N295 WeakPolarHBondContact OD1-CB 2.75Å; D293-N295 PolarHBondContact OD1-N 3.5Å; D293-A296 HydrophobicContact CB-CB 4.4Å; D293-A296 VanDerWaalsContact O-CB 3.26Å; D293-A296 WeakPolarHBondContact O-CB 3.16Å; D293-A296 PolarHBondContact O-N 2.95Å; D293-A296 VanDerWaalsContact O-N 3.15Å
294E96.6Very high98.1Very high90 Ų9057 Ų5742%0.42134%0.335SS..THydrogen-bonded Turntrans-57.2-33177.2-176.1167.9-144.900112.6W345 N347E294-W345 HydrophobicContact CB-CB 4.4Å; E294-W345 HydrophobicContact CB-CD2 3.99Å; E294-W345 HydrophobicContact CB-CG 3.77Å; E294-W345 HydrophobicContact CG-CB 4.03Å; E294-W345 HydrophobicContact CG-CG 3.83Å; E294-N347 PolarHBondContact O-ND2 2.83Å; E294-N347 VanDerWaalsContact O-ND2 3.07Å
295N96.6Very high98.1Very high124 Ų12458 Ų5866%0.66335%0.348SS*.THydrogen-bonded Turntrans-103.722.4-177.4-52.7-73.1000112.6D293D293-N295 PolarHBondContact O-N 3.1Å; D293-N295 WeakPolarHBondContact OD1-CA 3.48Å; D293-N295 WeakPolarHBondContact OD1-CB 2.75Å; D293-N295 PolarHBondContact OD1-N 3.5Å
296A97.7Very high98Very high7 Ų757.4 Ų57.46%0.05835%0.347CS..PPolyproline II helixtrans-61.4152.4176.800000112.2A289 D290 K291 D293 T298 F348A289-A296 HydrophobicContact CB-CB 3.85Å; D290-A296 WeakPolarHBondContact OD1-CB 3.33Å; K291-A296 HydrophobicContact CG-CB 3.83Å; K291-A296 VanDerWaalsContact O-CB 3.25Å; K291-A296 WeakPolarHBondContact O-CB 3.49Å; D293-A296 HydrophobicContact CB-CB 4.4Å; D293-A296 VanDerWaalsContact O-CB 3.26Å; D293-A296 WeakPolarHBondContact O-CB 3.16Å; D293-A296 PolarHBondContact O-N 2.95Å; D293-A296 VanDerWaalsContact O-N 3.15Å; A296-T298 PolarHBondContact O-N 3.22Å; A296-F348 HydrophobicContact CB-CZ 4.3Å
297T98.1Very high98Very high87 Ų8757.2 Ų57.253%0.53435%0.347SS..PPolyproline II helixtrans-69.5122.4170.8-54.30000108.1A289 D290 W311A289-T297 WeakPolarHBondContact CA-O 3.49Å; D290-T297 PolarHBondContact N-O 3.36Å; D290-T297 PolarHBondContact OD1-N 2.95Å; T297-W311 HydrophobicContact CG2-CH2 4.19Å; T297-W311 WeakPolarHBondContact O-CZ3 3.42Å
298T98.4Very high98Very high73 Ų7358.8 Ų58.845%0.44836%0.357SS..EExtended strand (participates in β ladder)trans-91.6149.1-176.861.10000112.7T288 A296 N347 F348T288-T298 CarbonylContact O-C 3.52Å; T288-T298 VanDerWaalsContact O-CA 3.25Å; T288-T298 WeakPolarHBondContact O-CA 3.5Å; A296-T298 PolarHBondContact O-N 3.22Å; T298-N347 HydrophobicContact CG2-CB 4.23Å; T298-F348 HydrophobicContact CG2-CE1 3.88Å; T298-F348 HydrophobicContact CG2-CZ 3.92Å
299G98Very high97.9Very high28 Ų2863.1 Ų63.129%0.28939%0.393SS..EExtended strand (participates in β ladder)trans-142.9-168.8172.900000111.3T288T288-G299 PolarHBondContact N-O 3.03Å; T288-G299 PolarHBondContact O-N 3.19Å; T288-G299 WeakPolarHBondContact OG1-CA 3.42Å; T288-G299 PolarHBondContact OG1-O 3.33Å
300S98.2Very high97.9Very high109 Ų10965.2 Ų65.276%0.76242%0.415SS*.EExtended strand (participates in β ladder)trans-138146.2176.361.50000111.2F286 T288F286-S300 VanDerWaalsContact O-CA 3.29Å; F286-S300 WeakPolarHBondContact O-CA 3.35Å; T288-S300 PolarHBondContact OG1-N 2.89Å
301A98.4Very high97.9Very high7 Ų765.9 Ų65.96%0.05841%0.413CS..EExtended strand (participates in β ladder)trans-139159.8175.600000111.1D285 F286 T288 G306 I307D285-A301 CarbonylContact C-O 3.52Å; D285-A301 VanDerWaalsContact CA-O 3.23Å; D285-A301 WeakPolarHBondContact CA-O 3.25Å; F286-A301 HydrophobicContact CD2-CB 4.43Å; F286-A301 PolarHBondContact N-O 3.25Å; F286-A301 PolarHBondContact O-N 2.81Å; T288-A301 HydrophobicContact CG2-CB 3.71Å; A301-G306 WeakPolarHBondContact CB-O 3.27Å; A301-I307 HydrophobicContact CB-CG1 3.71Å
302T98.8Very high97.9Very high63 Ų6362.2 Ų62.239%0.38740%0.398SS..EExtended strand (participates in β ladder)trans-120.3164.2168.967.30000109.6V284 D285 A304 A305 G306V284-T302 WeakPolarHBondContact O-CA 3.41Å; D285-T302 HydrophobicContact CB-CG2 4.21Å; T302-A304 PolarHBondContact O-N 3.39Å; T302-A305 PolarHBondContact O-N 2.87Å; T302-A305 WeakPolarHBondContact OG1-CB 3.25Å; T302-A305 PolarHBondContact OG1-N 3.33Å; T302-A305 VanDerWaalsContact OG1-N 3.13Å; T302-G306 PolarHBondContact O-N 2.8Å
303V98.1Very high98Very high33 Ų3356.3 Ų56.320%0.237%0.374CS..THydrogen-bonded Turntrans-56.6-38.8174.61750000111.4L245 N249 M251 V284 F286L245-V303 HydrophobicContact CD1-CG2 4.23Å; L245-V303 HydrophobicContact CD2-CG1 4.41Å; L245-V303 HydrophobicContact CD2-CG2 3.8Å; N249-V303 HydrophobicContact CB-CG1 4.02Å; M251-V303 HydrophobicContact CB-CG1 4.42Å; M251-V303 HydrophobicContact CG-CG1 4.36Å; M251-V303 HydrophobicContact SD-CB 4.18Å; M251-V303 HydrophobicContact SD-CG1 4.17Å; M251-V303 HydrophobicContact SD-CG2 3.96Å; V284-V303 PolarHBondContact O-N 2.85Å; F286-V303 HydrophobicContact CE2-CG2 3.85Å; F286-V303 HydrophobicContact CZ-CG2 4.01Å
304A97.5Very high98Very high102 Ų10254 Ų5484%0.84336%0.362SS*.THydrogen-bonded Turntrans-72.1-36.4-179.900000113.2T302T302-A304 PolarHBondContact O-N 3.39Å
305A97.7Very high98.1Very high75 Ų7550 Ų5062%0.6234%0.343SS*.THydrogen-bonded Turntrans-79.2-26.2179.200000112.9T302T302-A305 PolarHBondContact O-N 2.87Å; T302-A305 WeakPolarHBondContact OG1-CB 3.25Å; T302-A305 PolarHBondContact OG1-N 3.33Å; T302-A305 VanDerWaalsContact OG1-N 3.13Å
306G98.1Very high98.2Very high8 Ų844.3 Ų44.38%0.08231%0.313CS..  trans73.1168.8-170.400000112.9E252 A301 T302E252-G306 CarbonylContact O-C 3.54Å; E252-G306 WeakPolarHBondContact O-CA 3.41Å; A301-G306 WeakPolarHBondContact CB-O 3.27Å; T302-G306 PolarHBondContact O-N 2.8Å
307I98.7Very high98.3Very high1 Ų144.1 Ų44.11%0.00531%0.311CS..BIsolated β-bridgetrans-97.5128.6172.8-65.6172.5000108.2F242 M251 E252 G254 S256 F286 T288 A301 W311F242-I307 HydrophobicContact CD1-CD1 4.18Å; F242-I307 HydrophobicContact CE1-CD1 3.59Å; F242-I307 HydrophobicContact CZ-CD1 4.28Å; M251-I307 HydrophobicContact CE-CD1 4.16Å; M251-I307 HydrophobicContact CE-CG1 3.94Å; E252-I307 PolarHBondContact O-N 2.91Å; G254-I307 PolarHBondContact N-O 3.2Å; S256-I307 WeakPolarHBondContact OG-CD1 3.43Å; F286-I307 HydrophobicContact CG-CD1 4.48Å; T288-I307 HydrophobicContact CG2-CD1 4.26Å; T288-I307 HydrophobicContact CG2-CG1 3.94Å; T288-I307 HydrophobicContact CG2-CG2 4.08Å; A301-I307 HydrophobicContact CB-CG1 3.71Å; I307-W311 HydrophobicContact CG2-CB 3.94Å; I307-W311 WeakPolarHBondContact CG2-O 3.31Å
308P98Very high98.3Very high66 Ų6644.8 Ų44.843%0.42932%0.317SS..PPolyproline II helixtrans-55.8150.6-179.5-26.134.1000113.8G254 G310 W311G254-P308 WeakPolarHBondContact CA-O 3.24Å; P308-G310 PolarHBondContact O-N 3.43Å; P308-W311 HydrophobicContact CB-CB 4.32Å; P308-W311 HydrophobicContact CB-CG 4.19Å; P308-W311 WeakPolarHBondContact O-CB 3.4Å; P308-W311 PolarHBondContact O-N 3.02Å
309A97.9Very high98.3Very high94 Ų9445 Ų4578%0.77731%0.313SS*.THydrogen-bonded Turntrans-56.2136.6172.300000111.2W311A309-W311 PolarHBondContact O-N 2.98Å
310G97.6Very high98.3Very high44 Ų4443.6 Ų43.645%0.45430%0.299SS..THydrogen-bonded Turntrans84-21.6-175.400000114.7T255 P308T255-G310 PolarHBondContact OG1-O 3.43Å; T255-G310 VanDerWaalsContact OG1-O 3.09Å; P308-G310 PolarHBondContact O-N 3.43Å
311W98.6Very high98.4Very high72 Ų7239.4 Ų39.427%0.27327%0.269SS..  trans-92.1156.2178.2-70.560.8000112G254 T255 A289 D290 T297 I307 P308 A309G254-W311 CarbonylContact C-O 3.59Å; G254-W311 WeakPolarHBondContact CA-O 3.33Å; T255-W311 PolarHBondContact N-O 2.77Å; T255-W311 VanDerWaalsContact OG1-C 3.3Å; T255-W311 PolarHBondContact OG1-O 2.82Å; T255-W311 VanDerWaalsContact OG1-O 3.09Å; A289-W311 VanDerWaalsContact C-CE3 3.43Å; A289-W311 CarbonylContact O-C 3.59Å; A289-W311 VanDerWaalsContact O-CA 3.27Å; A289-W311 WeakPolarHBondContact O-CA 3.31Å; D290-W311 HydrophobicContact CB-CD2 4.3Å; D290-W311 HydrophobicContact CB-CH2 4.42Å; D290-W311 HydrophobicContact CB-CZ2 4.1Å; T297-W311 HydrophobicContact CG2-CH2 4.19Å; T297-W311 WeakPolarHBondContact O-CZ3 3.42Å; I307-W311 HydrophobicContact CG2-CB 3.94Å; I307-W311 WeakPolarHBondContact CG2-O 3.31Å; P308-W311 HydrophobicContact CB-CB 4.32Å; P308-W311 HydrophobicContact CB-CG 4.19Å; P308-W311 WeakPolarHBondContact O-CB 3.4Å; P308-W311 PolarHBondContact O-N 3.02Å; A309-W311 PolarHBondContact O-N 2.98Å
312M98.7Very high98.4Very high29 Ų2944.2 Ų44.214%0.14329%0.286CS..EExtended strand (participates in β ladder)trans-132146.8178.159.5-166.46900111.7T255 S256 T288 A289 F292 L314T255-M312 WeakPolarHBondContact OG1-CE 3.27Å; S256-M312 WeakPolarHBondContact OG-CA 3.47Å; T288-M312 CarbonylContact C-O 3.5Å; T288-M312 WeakPolarHBondContact CA-O 3.41Å; A289-M312 HydrophobicContact CB-CG 4.36Å; A289-M312 PolarHBondContact N-O 2.89Å; A289-M312 PolarHBondContact O-N 3.32Å; F292-M312 HydrophobicContact CB-CE 4.43Å; F292-M312 HydrophobicContact CB-SD 3.75Å; F292-M312 HydrophobicContact CD2-SD 4.16Å; F292-M312 HydrophobicContact CG-SD 4.45Å; M312-L314 HydrophobicContact CB-CD2 4.47Å; M312-L314 HydrophobicContact CG-CD1 4.35Å; M312-L314 HydrophobicContact CG-CD2 3.77Å; M312-L314 HydrophobicContact CG-CG 3.97Å; M312-L314 HydrophobicContact SD-CD2 3.94Å
313G98.6Very high98.4Very high6 Ų643 Ų436%0.06228%0.277CS..EExtended strand (participates in β ladder)trans-85.5125.6171.900000110.8F242 S256 V287F242-G313 WeakPolarHBondContact CE2-O 3.41Å; F242-G313 WeakPolarHBondContact CZ-O 3.45Å; S256-G313 PolarHBondContact OG-N 2.84Å; V287-G313 WeakPolarHBondContact O-CA 3.39Å
314L98.6Very high98.4Very high17 Ų1741.5 Ų41.59%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-119.1-11.6-174.9-62-173.3000113.9V287 A289 F292 M312 G341 V342 W345 F348V287-L314 PolarHBondContact O-N 3.38Å; A289-L314 HydrophobicContact CB-CD1 3.54Å; A289-L314 HydrophobicContact CB-CG 4.09Å; F292-L314 HydrophobicContact CD2-CD1 4.19Å; F292-L314 HydrophobicContact CD2-CD2 3.82Å; F292-L314 HydrophobicContact CE2-CD2 4.08Å; M312-L314 HydrophobicContact CB-CD2 4.47Å; M312-L314 HydrophobicContact CG-CD1 4.35Å; M312-L314 HydrophobicContact CG-CD2 3.77Å; M312-L314 HydrophobicContact CG-CG 3.97Å; M312-L314 HydrophobicContact SD-CD2 3.94Å; L314-G341 CarbonylContact O-C 3.51Å; L314-G341 WeakPolarHBondContact O-CA 3.4Å; L314-V342 HydrophobicContact CB-CG2 4.01Å; L314-V342 HydrophobicContact CD2-CG2 4.05Å; L314-V342 HydrophobicContact CG-CG2 4.46Å; L314-V342 PolarHBondContact O-N 2.92Å; L314-W345 HydrophobicContact CD1-CZ3 4.26Å; L314-F348 HydrophobicContact CB-CB 4.1Å; L314-F348 HydrophobicContact CB-CD1 3.58Å; L314-F348 HydrophobicContact CB-CD2 4.44Å; L314-F348 HydrophobicContact CB-CE1 4.08Å; L314-F348 HydrophobicContact CB-CG 3.77Å; L314-F348 HydrophobicContact CD1-CD1 4.24Å; L314-F348 HydrophobicContact CD1-CD2 4.11Å; L314-F348 HydrophobicContact CD1-CE1 4.07Å; L314-F348 HydrophobicContact CD1-CE2 3.93Å; L314-F348 HydrophobicContact CD1-CG 4.24Å; L314-F348 HydrophobicContact CD1-CZ 3.91Å; L314-F348 HydrophobicContact CG-CD1 4.46Å
315D98.8Very high98.5Very high4 Ų438.1 Ų38.12%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-151.4163172.4-16210.7000109.9F286 V287 F348 R350 G351F286-D315 WeakPolarHBondContact CA-O 3.32Å; V287-D315 HydrophobicContact CB-CB 4.11Å; V287-D315 HydrophobicContact CG2-CB 4.28Å; V287-D315 PolarHBondContact N-O 3.16Å; D315-F348 HydrophobicContact CB-CB 4.19Å; D315-F348 WeakPolarHBondContact CB-O 3.39Å; D315-F348 VanDerWaalsContact CG-O 3.24Å; D315-F348 VanDerWaalsContact OD2-C 3.3Å; D315-R350 PolarHBondContact OD2-N 2.88Å; D315-G351 WeakPolarHBondContact OD1-CA 3.3Å; D315-G351 PolarHBondContact OD1-N 3Å; D315-G351 PolarHBondContact OD2-N 3.39Å
316C98.6Very high98.5Very high6 Ų638.1 Ų38.14%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-78.5151.3172.574.70000111.2P283 Y324P283-C316 HydrophobicContact CB-CB 4.32Å; C316-Y324 HydrophobicContact CB-CE2 4.2Å
317G98.5Very high98.5Very high2 Ų237.8 Ų37.82%0.02122%0.224CC..  trans-80.3178.817800000113.6D285 E319 S320 S321D285-G317 VanDerWaalsContact CG-CA 3.41Å; D285-G317 PolarHBondContact O-N 2.89Å; D285-G317 VanDerWaalsContact OD1-C 3.29Å; D285-G317 VanDerWaalsContact OD1-CA 3.27Å; D285-G317 WeakPolarHBondContact OD1-CA 3.06Å; D285-G317 PolarHBondContact OD1-N 3.42Å; D285-G317 WeakPolarHBondContact OD2-CA 3.47Å; G317-E319 VanDerWaalsContact C-N 3.34Å; G317-E319 PolarHBondContact O-N 3.19Å; G317-S320 PolarHBondContact O-N 2.89Å; G317-S321 PolarHBondContact O-N 2.7Å; G317-S321 PolarHBondContact O-OG 3Å
318P98.3Very high98.6Very high101 Ų10137.8 Ų37.866%0.65622%0.223SC*.Hα-helixtrans-62.6-35.4-178.724.6-34.8000113.7D285 S321 R322D285-P318 WeakPolarHBondContact OD2-CD 3.42Å; P318-S321 PolarHBondContact O-N 3.12Å; P318-R322 PolarHBondContact O-N 3.45Å
319E98.7Very high98.6Very high77 Ų7736.8 Ų36.836%0.3623%0.225SC..Hα-helixtrans-72.7-39.1-179.7-177.357.5-161.800111.1V284 D285 G317 S321 R322 L323V284-E319 HydrophobicContact CG2-CB 4Å; V284-E319 HydrophobicContact CG2-CG 3.63Å; D285-E319 PolarHBondContact OD1-N 3Å; D285-E319 WeakPolarHBondContact OD2-CB 3.43Å; D285-E319 PolarHBondContact OD2-N 3.27Å; G317-E319 VanDerWaalsContact C-N 3.34Å; G317-E319 PolarHBondContact O-N 3.19Å; E319-S321 VanDerWaalsContact C-N 3.32Å; E319-S321 PolarHBondContact O-N 3.48Å; E319-R322 VanDerWaalsContact CD-NE 3.29Å; E319-R322 VanDerWaalsContact O-CB 3.31Å; E319-R322 WeakPolarHBondContact O-CB 3.43Å; E319-R322 PolarHBondContact O-N 2.94Å; E319-R322 VanDerWaalsContact O-N 3.17Å; E319-R322 IonicContact OE1-CZ 3.84Å; E319-R322 IonicContact OE1-NE 3.82Å; E319-R322 PolarHBondContact OE1-NE 3.44Å; E319-R322 IonicContact OE1-NH2 3.91Å; E319-R322 PolarHBondContact OE1-NH2 2.96Å; E319-R322 IonicContact OE2-CZ 2.76Å; E319-R322 IonicContact OE2-NE 3.7Å; E319-R322 PolarHBondContact OE2-NE 2.93Å; E319-L323 WeakPolarHBondContact O-CG 3.27Å; E319-L323 PolarHBondContact O-N 2.89Å
320S98.8Very high98.6Very high0 Ų036 Ų360%020%0.202CC..Hα-helixtrans-60.7-42.8171.8-57.40000111.4P283 V284 D285 G317 R322 L323 Y324P283-S320 WeakPolarHBondContact CA-OG 3.33Å; P283-S320 WeakPolarHBondContact CB-OG 3.44Å; V284-S320 PolarHBondContact N-OG 2.99Å; D285-S320 PolarHBondContact N-OG 2.89Å; D285-S320 VanDerWaalsContact N-OG 3.1Å; D285-S320 PolarHBondContact O-OG 3.45Å; D285-S320 VanDerWaalsContact O-OG 3.08Å; D285-S320 VanDerWaalsContact OD1-CB 3.23Å; D285-S320 WeakPolarHBondContact OD1-CB 3.4Å; D285-S320 PolarHBondContact OD1-N 3.38Å; D285-S320 PolarHBondContact OD1-OG 3.17Å; G317-S320 PolarHBondContact O-N 2.89Å; S320-R322 VanDerWaalsContact C-N 3.28Å; S320-R322 PolarHBondContact O-N 3.34Å; S320-L323 PolarHBondContact O-N 3.32Å; S320-Y324 WeakPolarHBondContact O-CB 3.43Å; S320-Y324 WeakPolarHBondContact O-CD1 3.23Å; S320-Y324 PolarHBondContact O-N 2.95Å
321S98.7Very high98.6Very high20 Ų2034.2 Ų34.214%0.1418%0.183CC..Hα-helixtrans-59.9-39.3175.4-60.40000111.7G317 P318 E319 Y324 A325G317-S321 PolarHBondContact O-N 2.7Å; G317-S321 PolarHBondContact O-OG 3Å; P318-S321 PolarHBondContact O-N 3.12Å; E319-S321 VanDerWaalsContact C-N 3.32Å; E319-S321 PolarHBondContact O-N 3.48Å; S321-Y324 PolarHBondContact O-N 3.25Å; S321-A325 WeakPolarHBondContact O-CB 3.44Å; S321-A325 PolarHBondContact O-N 3.31Å
322R98.8Very high98.6Very high109 Ų10936.4 Ų36.441%0.41120%0.195SC..Hα-helixtrans-62.6-48.5174.6-165.7-170.972.370.69111.5P318 E319 S320 Y324 A325 E326P318-R322 PolarHBondContact O-N 3.45Å; E319-R322 VanDerWaalsContact CD-NE 3.29Å; E319-R322 VanDerWaalsContact O-CB 3.31Å; E319-R322 WeakPolarHBondContact O-CB 3.43Å; E319-R322 PolarHBondContact O-N 2.94Å; E319-R322 VanDerWaalsContact O-N 3.17Å; E319-R322 IonicContact OE1-CZ 3.84Å; E319-R322 IonicContact OE1-NE 3.82Å; E319-R322 PolarHBondContact OE1-NE 3.44Å; E319-R322 IonicContact OE1-NH2 3.91Å; E319-R322 PolarHBondContact OE1-NH2 2.96Å; E319-R322 IonicContact OE2-CZ 2.76Å; E319-R322 IonicContact OE2-NE 3.7Å; E319-R322 PolarHBondContact OE2-NE 2.93Å; S320-R322 VanDerWaalsContact C-N 3.28Å; S320-R322 PolarHBondContact O-N 3.34Å; R322-Y324 PolarHBondContact O-N 3.21Å; R322-A325 PolarHBondContact O-N 2.92Å; R322-E326 IonicContact CZ-OE1 3.59Å; R322-E326 IonicContact NH1-OE1 3.27Å; R322-E326 PolarHBondContact NH1-OE1 2.86Å; R322-E326 IonicContact NH2-OE1 3.74Å; R322-E326 PolarHBondContact O-N 2.79Å
323L98.8Very high98.6Very high37 Ų3735 Ų3519%0.19419%0.188CC..Hα-helixtrans-62.4-40.8178.2-67.2174000112.4T281 V284 E319 S320 E326 A327T281-L323 HydrophobicContact CG2-CB 4.18Å; V284-L323 HydrophobicContact CB-CD1 4.47Å; V284-L323 HydrophobicContact CG1-CD1 3.8Å; V284-L323 HydrophobicContact CG2-CD1 3.79Å; E319-L323 WeakPolarHBondContact O-CG 3.27Å; E319-L323 PolarHBondContact O-N 2.89Å; S320-L323 PolarHBondContact O-N 3.32Å; L323-E326 PolarHBondContact O-N 2.61Å; L323-A327 PolarHBondContact O-N 3.16Å
324Y98.8Very high98.6Very high1 Ų134.8 Ų34.80%0.00419%0.185CC..Hα-helixtrans-62.9-43.5174.6-65.6-11.7000111.2I235 I236 G237 T281 P283 C316 S320 S321 R322 E326 A327 V328 V340 L355I235-Y324 HydrophobicContact CB-CD1 4.49Å; I235-Y324 HydrophobicContact CD1-CD1 3.96Å; I235-Y324 HydrophobicContact CD1-CG 4.06Å; I235-Y324 HydrophobicContact CG1-CD1 4.02Å; I235-Y324 HydrophobicContact CG1-CE1 4.48Å; I235-Y324 HydrophobicContact CG2-CD1 3.66Å; I235-Y324 HydrophobicContact CG2-CD2 4.41Å; I235-Y324 HydrophobicContact CG2-CE1 3.45Å; I235-Y324 VanDerWaalsContact CG2-CE1 3.45Å; I235-Y324 HydrophobicContact CG2-CE2 4.22Å; I235-Y324 HydrophobicContact CG2-CG 4.14Å; I236-Y324 PolarHBondContact O-OH 3.23Å; G237-Y324 WeakPolarHBondContact CA-OH 3.25Å; T281-Y324 HydrophobicContact CG2-CD1 3.91Å; T281-Y324 HydrophobicContact CG2-CE1 4.09Å; P283-Y324 WeakPolarHBondContact CB-OH 3.4Å; P283-Y324 VanDerWaalsContact CD-OH 3.3Å; P283-Y324 WeakPolarHBondContact CD-OH 3.23Å; C316-Y324 HydrophobicContact CB-CE2 4.2Å; S320-Y324 WeakPolarHBondContact O-CB 3.43Å; S320-Y324 WeakPolarHBondContact O-CD1 3.23Å; S320-Y324 PolarHBondContact O-N 2.95Å; S321-Y324 PolarHBondContact O-N 3.25Å; R322-Y324 PolarHBondContact O-N 3.21Å; Y324-E326 VanDerWaalsContact C-N 3.3Å; Y324-E326 PolarHBondContact O-N 2.95Å; Y324-A327 PolarHBondContact O-N 3.29Å; Y324-V328 WeakPolarHBondContact O-CG2 3.29Å; Y324-V328 PolarHBondContact O-N 3.38Å; Y324-V340 HydrophobicContact CE2-CB 4.3Å; Y324-V340 HydrophobicContact CE2-CG1 4.28Å; Y324-V340 HydrophobicContact CE2-CG2 4.42Å; Y324-L355 HydrophobicContact CD2-CD2 4.36Å
325A98.7Very high98.5Very high31 Ų3134 Ų3426%0.25618%0.181SC..Hα-helixtrans-63.3-34.7178.500000112.9S321 R322 G329 K358S321-A325 WeakPolarHBondContact O-CB 3.44Å; S321-A325 PolarHBondContact O-N 3.31Å; R322-A325 PolarHBondContact O-N 2.92Å; A325-G329 PolarHBondContact O-N 3.26Å; A325-K358 HydrophobicContact CB-CD 4.44Å; A325-K358 HydrophobicContact CB-CG 3.98Å
326E98.7Very high98.5Very high76 Ų7633.8 Ų33.836%0.35518%0.18SC..Hα-helixtrans-64.4-44.5173.1-70.7-177.1172.600112.4R322 L323 Y324 G329 R330R322-E326 IonicContact CZ-OE1 3.59Å; R322-E326 IonicContact NH1-OE1 3.27Å; R322-E326 PolarHBondContact NH1-OE1 2.86Å; R322-E326 IonicContact NH2-OE1 3.74Å; R322-E326 PolarHBondContact O-N 2.79Å; L323-E326 PolarHBondContact O-N 2.61Å; Y324-E326 VanDerWaalsContact C-N 3.3Å; Y324-E326 PolarHBondContact O-N 2.95Å; E326-G329 PolarHBondContact O-N 2.74Å; E326-R330 PolarHBondContact O-N 3.2Å; E326-R330 PolarHBondContact O-NH1 3.2Å; E326-R330 VanDerWaalsContact O-NH1 3.16Å
327A98.7Very high98.3Very high1 Ų133.7 Ų33.71%0.00818%0.179CC..Hα-helixtrans-63-44.3176.700000111.7L209 I235 L323 Y324 G329 R330L209-A327 HydrophobicContact CD2-CB 4.43Å; I235-A327 HydrophobicContact CD1-CB 4.02Å; I235-A327 HydrophobicContact CG1-CB 4.25Å; L323-A327 PolarHBondContact O-N 3.16Å; Y324-A327 PolarHBondContact O-N 3.29Å; A327-G329 VanDerWaalsContact C-N 3.31Å; A327-G329 PolarHBondContact O-N 3.45Å; A327-R330 VanDerWaalsContact CA-NH2 3.29Å; A327-R330 PolarHBondContact O-N 2.94Å
328V98.8Very high98.1Very high0 Ų033.9 Ų33.90%018%0.181CC..Hα-helixtrans-60.7-40.8173.8172.70000111.6L209 I211 I235 Y324 R330 A331 I334 L355 K358 V359 V362L209-V328 HydrophobicContact CD2-CB 4.44Å; L209-V328 HydrophobicContact CD2-CG2 3.83Å; I211-V328 HydrophobicContact CD1-CG2 3.94Å; I235-V328 HydrophobicContact CD1-CG2 4.47Å; Y324-V328 WeakPolarHBondContact O-CG2 3.29Å; Y324-V328 PolarHBondContact O-N 3.38Å; V328-R330 PolarHBondContact O-N 3.37Å; V328-A331 PolarHBondContact O-N 3.05Å; V328-I334 HydrophobicContact CB-CD1 4.41Å; V328-I334 HydrophobicContact CG1-CD1 3.71Å; V328-I334 HydrophobicContact CG2-CD1 4.41Å; V328-L355 HydrophobicContact CG2-CD1 3.63Å; V328-K358 HydrophobicContact CB-CG 3.94Å; V328-K358 HydrophobicContact CG1-CB 4.32Å; V328-K358 HydrophobicContact CG1-CG 3.63Å; V328-V359 HydrophobicContact CG1-CG2 4.13Å; V328-V359 HydrophobicContact CG2-CG2 4.29Å; V328-V362 HydrophobicContact CG1-CB 4.47Å; V328-V362 HydrophobicContact CG1-CG1 3.97Å; V328-V362 HydrophobicContact CG1-CG2 3.65Å
329G98.4Very high98Very high45 Ų4529.5 Ų29.546%0.46415%0.153SC..Hα-helixtrans-63.3-23.9179.200000115A325 E326 A327A325-G329 PolarHBondContact O-N 3.26Å; E326-G329 PolarHBondContact O-N 2.74Å; A327-G329 VanDerWaalsContact C-N 3.31Å; A327-G329 PolarHBondContact O-N 3.45Å
330R98.4Very high98Very high78 Ų7826 Ų2629%0.29414%0.136SC..Hα-helixtrans-84.4-22.6176.3-68.8-174.4-64.4-86.43.8113.4E233 E326 A327 V328E233-R330 IonicContact OE1-CZ 3.06Å; E233-R330 IonicContact OE1-NE 3.84Å; E233-R330 PolarHBondContact OE1-NE 2.95Å; E233-R330 IonicContact OE1-NH2 2.7Å; E233-R330 IonicContact OE2-CZ 3.47Å; E233-R330 IonicContact OE2-NE 2.97Å; E233-R330 PolarHBondContact OE2-NE 2.98Å; E233-R330 IonicContact OE2-NH2 3.85Å; E233-R330 PolarHBondContact OE2-NH2 3.23Å; E326-R330 PolarHBondContact O-N 3.2Å; E326-R330 PolarHBondContact O-NH1 3.2Å; E326-R330 VanDerWaalsContact O-NH1 3.16Å; A327-R330 VanDerWaalsContact CA-NH2 3.29Å; A327-R330 PolarHBondContact O-N 2.94Å; V328-R330 PolarHBondContact O-N 3.37Å
331A98.4Very high97.9Very high7 Ų726.5 Ų26.56%0.05814%0.142CC..  trans-73142.1-169.300000113.1P207 L209 V328 I334 C367P207-A331 CarbonylContact O-C 3.47Å; P207-A331 WeakPolarHBondContact O-CA 3.23Å; L209-A331 HydrophobicContact CB-CB 3.81Å; L209-A331 HydrophobicContact CD2-CB 4.28Å; V328-A331 PolarHBondContact O-N 3.05Å; A331-I334 HydrophobicContact CB-CD1 4.02Å; A331-I334 HydrophobicContact CB-CG1 3.63Å; A331-C367 PolarHBondContact O-SG 3.47Å; A331-C367 VanDerWaalsContact O-SG 3.38Å
332K98.2Very high97.9Very high118 Ų11826.7 Ų26.751%0.51314%0.142SC..SBendtrans-98.8-21.2165-63.8-56.1-176.4-174.50112.3Q205 R206 P207 C367 V368Q205-K332 HydrophobicContact CB-CB 4.11Å; R206-K332 VanDerWaalsContact O-CG 3.24Å; R206-K332 WeakPolarHBondContact O-CG 3.47Å; P207-K332 PolarHBondContact O-N 3.17Å; K332-C367 WeakPolarHBondContact O-CA 3.41Å; K332-C367 PolarHBondContact O-SG 2.98Å; K332-C367 VanDerWaalsContact O-SG 3.38Å; K332-V368 PolarHBondContact O-N 3.28Å
333Q98.3Very high97.8Very high0 Ų021.9 Ų21.90%012%0.124CC..EExtended strand (participates in β ladder)trans-140.6141.9172.5-170.4168.2-50.700110.3M199 A200 Q205 P207 F208 L209 V368M199-Q333 PolarHBondContact O-NE2 3.45Å; M199-Q333 VanDerWaalsContact O-NE2 3.1Å; A200-Q333 VanDerWaalsContact CA-NE2 3.27Å; Q205-Q333 HydrophobicContact CB-CB 4.19Å; Q205-Q333 VanDerWaalsContact O-CB 3.27Å; Q205-Q333 WeakPolarHBondContact O-CB 3.48Å; P207-Q333 PolarHBondContact O-N 3.38Å; F208-Q333 WeakPolarHBondContact CA-O 3.3Å; F208-Q333 HydrophobicContact CD2-CB 3.88Å; F208-Q333 HydrophobicContact CD2-CG 3.88Å; F208-Q333 WeakPolarHBondContact CD2-O 3.2Å; F208-Q333 HydrophobicContact CE2-CB 4.5Å; F208-Q333 HydrophobicContact CE2-CG 4.01Å; L209-Q333 PolarHBondContact N-O 3.04Å; Q333-V368 CarbonylContact C-O 3.39Å; Q333-V368 VanDerWaalsContact CA-O 3.26Å; Q333-V368 WeakPolarHBondContact CA-O 3.39Å; Q333-V368 HydrophobicContact CG-CB 4.14Å; Q333-V368 HydrophobicContact CG-CG1 4.34Å
334I98.5Very high97.7Very high0 Ų024.4 Ų24.40%014%0.135CC..EExtended strand (participates in β ladder)trans-132131.9179.9-56.9175.9000109.3L209 I211 V328 A331 V359 V362 V368 T369 I370L209-I334 HydrophobicContact CB-CG1 4.29Å; L209-I334 HydrophobicContact CD2-CD1 4.41Å; L209-I334 HydrophobicContact CD2-CG1 4.32Å; L209-I334 VanDerWaalsContact O-CA 3.31Å; L209-I334 WeakPolarHBondContact O-CA 3.4Å; I211-I334 HydrophobicContact CD1-CG2 3.71Å; I211-I334 HydrophobicContact CG1-CG2 3.99Å; V328-I334 HydrophobicContact CB-CD1 4.41Å; V328-I334 HydrophobicContact CG1-CD1 3.71Å; V328-I334 HydrophobicContact CG2-CD1 4.41Å; A331-I334 HydrophobicContact CB-CD1 4.02Å; A331-I334 HydrophobicContact CB-CG1 3.63Å; I334-V359 HydrophobicContact CD1-CG2 4.37Å; I334-V362 HydrophobicContact CD1-CG2 3.89Å; I334-V368 PolarHBondContact N-O 2.92Å; I334-T369 HydrophobicContact CB-CG2 4.2Å; I334-T369 HydrophobicContact CD1-CG2 4.15Å; I334-T369 HydrophobicContact CG1-CG2 4.42Å; I334-I370 PolarHBondContact O-N 3.24Å
335V97.6Very high97.7Very high1 Ų126.5 Ų26.51%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-112.5124.2160.3167.30000108.1A200 F208 L209 A210 I211 M227 I370 L403A200-V335 HydrophobicContact CB-CG2 3.89Å; F208-V335 HydrophobicContact CE2-CB 4.1Å; F208-V335 HydrophobicContact CE2-CG2 3.73Å; F208-V335 HydrophobicContact CZ-CB 4.25Å; F208-V335 HydrophobicContact CZ-CG2 3.74Å; L209-V335 PolarHBondContact O-N 2.88Å; A210-V335 CarbonylContact C-O 3.59Å; A210-V335 WeakPolarHBondContact CA-O 3.43Å; I211-V335 PolarHBondContact N-O 2.99Å; M227-V335 HydrophobicContact CE-CB 4.46Å; V335-I370 CarbonylContact C-O 3.58Å; V335-I370 WeakPolarHBondContact CA-O 3.42Å; V335-I370 HydrophobicContact CG2-CB 4Å; V335-I370 HydrophobicContact CG2-CD1 4.11Å; V335-I370 HydrophobicContact CG2-CG2 4.36Å; V335-L403 HydrophobicContact CG1-CD1 3.84Å; V335-L403 HydrophobicContact CG1-CD2 4.05Å
336W97.5Very high97.5Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-116.8121.6177.5-174.73.9000111I211 G338 T352 L355 M356 V359 I370 I371 G372 T376I211-W336 HydrophobicContact CB-CB 4.04Å; I211-W336 HydrophobicContact CB-CG 3.81Å; I211-W336 HydrophobicContact CD1-CB 4.41Å; I211-W336 HydrophobicContact CD1-CD2 4.43Å; I211-W336 HydrophobicContact CD1-CG 4.33Å; I211-W336 VanDerWaalsContact CG2-CD1 3.47Å; I211-W336 HydrophobicContact CG2-CD2 4.31Å; I211-W336 HydrophobicContact CG2-CG 3.96Å; I211-W336 CarbonylContact O-C 3.57Å; I211-W336 WeakPolarHBondContact O-CA 3.4Å; W336-G338 PolarHBondContact NE1-O 3.22Å; W336-T352 HydrophobicContact CH2-CG2 4.16Å; W336-T352 HydrophobicContact CZ2-CG2 3.96Å; W336-L355 HydrophobicContact CH2-CB 3.99Å; W336-L355 HydrophobicContact CH2-CD2 4.17Å; W336-L355 HydrophobicContact CH2-CG 3.93Å; W336-L355 HydrophobicContact CZ2-CB 4.41Å; W336-L355 HydrophobicContact CZ2-CD2 3.86Å; W336-L355 HydrophobicContact CZ2-CG 4.14Å; W336-L355 HydrophobicContact CZ3-CG 4.28Å; W336-M356 HydrophobicContact CE3-CE 4.11Å; W336-M356 HydrophobicContact CH2-CB 4.07Å; W336-M356 HydrophobicContact CH2-CE 3.95Å; W336-M356 HydrophobicContact CZ3-CB 3.99Å; W336-M356 HydrophobicContact CZ3-CE 3.45Å; W336-M356 VanDerWaalsContact CZ3-CE 3.45Å; W336-M356 HydrophobicContact CZ3-SD 3.82Å; W336-V359 HydrophobicContact CE3-CG2 4.08Å; W336-V359 HydrophobicContact CZ3-CG2 4.19Å; W336-I370 PolarHBondContact N-O 3.33Å; W336-I371 HydrophobicContact CB-CD1 3.99Å; W336-I371 HydrophobicContact CD2-CD1 4.48Å; W336-I371 HydrophobicContact CE3-CD1 3.87Å; W336-G372 PolarHBondContact O-N 3.3Å; W336-G372 VanDerWaalsContact O-O 3.14Å; W336-T376 HydrophobicContact CD2-CG2 3.73Å; W336-T376 HydrophobicContact CE3-CG2 4.25Å; W336-T376 HydrophobicContact CG-CG2 3.87Å; W336-T376 HydrophobicContact CZ2-CG2 4.38Å
337N95.1Very high97.5Very high3 Ų333.4 Ų33.42%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-132.6107.9174.6-166.9-74.3000111.9I211 L212 G213 K220 L223 G372 G373I211-N337 PolarHBondContact O-N 3.11Å; L212-N337 WeakPolarHBondContact CA-O 3.3Å; L212-N337 HydrophobicContact CD2-CB 4.1Å; G213-N337 PolarHBondContact N-O 2.85Å; K220-N337 PolarHBondContact NZ-OD1 3.16Å; L223-N337 HydrophobicContact CD2-CB 4.4Å; N337-G372 WeakPolarHBondContact CA-O 3.4Å; N337-G373 PolarHBondContact ND2-N 2.96Å
338G93.9Very high97.4Very high6 Ų633.3 Ų33.36%0.06217%0.172CC..SBendtrans101.5131176.800000113.4W336 T376W336-G338 PolarHBondContact NE1-O 3.22Å; G338-T376 VanDerWaalsContact CA-OG1 3.23Å; G338-T376 WeakPolarHBondContact CA-OG1 3.36Å; G338-T376 PolarHBondContact N-OG1 3.49Å
339P96.7Very high97.4Very high10 Ų1033.8 Ų33.87%0.06518%0.176CC..  trans-64.7158.7175.829.9-35.6000111.5G213 G214 F343 T352 D375G213-P339 CarbonylContact C-O 3.16Å; G213-P339 WeakPolarHBondContact CA-O 3.18Å; G214-P339 PolarHBondContact N-O 2.92Å; P339-F343 HydrophobicContact CB-CB 4.45Å; P339-F343 HydrophobicContact CB-CD1 3.98Å; P339-F343 HydrophobicContact CB-CG 4.44Å; P339-F343 HydrophobicContact CG-CD1 3.86Å; P339-F343 HydrophobicContact CG-CE1 4.29Å; P339-T352 HydrophobicContact CB-CG2 3.76Å; P339-D375 HydrophobicContact CG-CB 4.32Å
340V98.1Very high97.4Very high2 Ų241.1 Ų41.11%0.01219%0.19CC..SBendtrans-96.95.3-178.2-610000113.5I211 G238 Y324 T352 L355I211-V340 HydrophobicContact CG2-CG1 4.49Å; G238-V340 WeakPolarHBondContact CA-O 3.44Å; G238-V340 PolarHBondContact N-O 3.43Å; Y324-V340 HydrophobicContact CE2-CB 4.3Å; Y324-V340 HydrophobicContact CE2-CG1 4.28Å; Y324-V340 HydrophobicContact CE2-CG2 4.42Å; V340-T352 WeakPolarHBondContact CG2-OG1 3.34Å; V340-T352 PolarHBondContact N-OG1 3.37Å; V340-L355 HydrophobicContact CG1-CD2 3.79Å; V340-L355 HydrophobicContact CG2-CD2 4.17Å
341G97.8Very high97.4Very high11 Ų1137.5 Ų37.511%0.11318%0.176CC..SBendtrans-162.4-178175.400000111.4L314 F343 T352L314-G341 CarbonylContact O-C 3.51Å; L314-G341 WeakPolarHBondContact O-CA 3.4Å; G341-F343 PolarHBondContact O-N 3.41Å; G341-T352 PolarHBondContact N-OG1 3.29Å
342V98Very high97.4Very high25 Ų2537.1 Ų37.115%0.15217%0.173CC..  trans-79.172.8176.7-171.90000109.8F292 L314 E344 W345 F348F292-V342 HydrophobicContact CE2-CG1 4.41Å; F292-V342 HydrophobicContact CE2-CG2 3.99Å; F292-V342 HydrophobicContact CZ-CG1 4.49Å; L314-V342 HydrophobicContact CB-CG2 4.01Å; L314-V342 HydrophobicContact CD2-CG2 4.05Å; L314-V342 HydrophobicContact CG-CG2 4.46Å; L314-V342 PolarHBondContact O-N 2.92Å; V342-E344 PolarHBondContact O-N 3.46Å; V342-W345 HydrophobicContact CB-CE3 4.33Å; V342-W345 HydrophobicContact CG1-CD2 3.83Å; V342-W345 HydrophobicContact CG1-CE3 3.6Å; V342-W345 HydrophobicContact CG1-CG 4.33Å; V342-W345 HydrophobicContact CG1-CZ3 4.04Å; V342-W345 PolarHBondContact O-N 2.77Å; V342-W345 VanDerWaalsContact O-N 3.14Å; V342-F348 CarbonylContact C-O 3.57Å; V342-F348 HydrophobicContact CB-CB 4.07Å; V342-F348 PolarHBondContact N-O 3.01Å; V342-F348 CarbonylContact O-C 3.43Å
343F97.5Very high97.4Very high7 Ų735.5 Ų35.53%0.03117%0.166CC..THydrogen-bonded Turntrans-62.8-15.9-170.782.9-77000114.8P339 G341 W345 A349 T352 D375 T378 C379 K382 W383P339-F343 HydrophobicContact CB-CB 4.45Å; P339-F343 HydrophobicContact CB-CD1 3.98Å; P339-F343 HydrophobicContact CB-CG 4.44Å; P339-F343 HydrophobicContact CG-CD1 3.86Å; P339-F343 HydrophobicContact CG-CE1 4.29Å; G341-F343 PolarHBondContact O-N 3.41Å; F343-W345 PolarHBondContact O-N 2.85Å; F343-A349 HydrophobicContact CB-CB 4.46Å; F343-T352 HydrophobicContact CB-CG2 4.17Å; F343-D375 HydrophobicContact CE1-CB 4.09Å; F343-T378 HydrophobicContact CE2-CG2 4.05Å; F343-T378 HydrophobicContact CZ-CG2 3.98Å; F343-C379 HydrophobicContact CD2-CB 4.35Å; F343-C379 WeakPolarHBondContact CD2-SG 3.5Å; F343-C379 HydrophobicContact CE2-CB 4.46Å; F343-C379 VanDerWaalsContact CE2-SG 3.56Å; F343-C379 WeakPolarHBondContact CG-SG 3.42Å; F343-K382 HydrophobicContact CD2-CD 4.17Å; F343-K382 HydrophobicContact CE2-CD 4.31Å; F343-K382 PolarHBondContact O-NZ 3.34Å; F343-W383 HydrophobicContact CB-CH2 4.27Å
344E96.6Very high97.4Very high90 Ų9037.5 Ų37.542%0.42118%0.18SC..THydrogen-bonded Turntrans-59.7-37.3175-64.788.3162.300110.9V342 K382V342-E344 PolarHBondContact O-N 3.46Å; E344-K382 PolarHBondContact O-NZ 2.57Å
345W97.7Very high97.4Very high45 Ų4537.7 Ų37.717%0.1718%0.181CC..SBendtrans-103.6128.1-175.3-58.9-25.6000111.2F292 E294 L314 V342 F343 N347 F348 A349F292-W345 AromaticContact CD1-CH2 3.63Å; F292-W345 HydrophobicContact CD1-CH2 3.63Å; F292-W345 HydrophobicContact CD1-CZ3 4.34Å; F292-W345 AromaticContact CD2-CH2 3.94Å; F292-W345 HydrophobicContact CD2-CH2 3.94Å; F292-W345 AromaticContact CD2-CZ3 3.8Å; F292-W345 HydrophobicContact CD2-CZ3 3.8Å; F292-W345 AromaticContact CE1-CH2 3.55Å; F292-W345 HydrophobicContact CE1-CH2 3.55Å; F292-W345 HydrophobicContact CE1-CZ2 4.24Å; F292-W345 HydrophobicContact CE1-CZ3 4.3Å; F292-W345 AromaticContact CE2-CH2 3.87Å; F292-W345 HydrophobicContact CE2-CH2 3.87Å; F292-W345 AromaticContact CE2-CZ3 3.77Å; F292-W345 HydrophobicContact CE2-CZ3 3.77Å; F292-W345 AromaticContact CG-CH2 3.82Å; F292-W345 HydrophobicContact CG-CH2 3.82Å; F292-W345 HydrophobicContact CG-CZ3 4.09Å; F292-W345 AromaticContact CZ-CH2 3.67Å; F292-W345 HydrophobicContact CZ-CH2 3.67Å; F292-W345 HydrophobicContact CZ-CZ2 4.43Å; F292-W345 HydrophobicContact CZ-CZ3 4.02Å; E294-W345 HydrophobicContact CB-CB 4.4Å; E294-W345 HydrophobicContact CB-CD2 3.99Å; E294-W345 HydrophobicContact CB-CG 3.77Å; E294-W345 HydrophobicContact CG-CB 4.03Å; E294-W345 HydrophobicContact CG-CG 3.83Å; L314-W345 HydrophobicContact CD1-CZ3 4.26Å; V342-W345 HydrophobicContact CB-CE3 4.33Å; V342-W345 HydrophobicContact CG1-CD2 3.83Å; V342-W345 HydrophobicContact CG1-CE3 3.6Å; V342-W345 HydrophobicContact CG1-CG 4.33Å; V342-W345 HydrophobicContact CG1-CZ3 4.04Å; V342-W345 PolarHBondContact O-N 2.77Å; V342-W345 VanDerWaalsContact O-N 3.14Å; F343-W345 PolarHBondContact O-N 2.85Å; W345-N347 PolarHBondContact O-N 2.83Å; W345-N347 VanDerWaalsContact O-N 3.16Å; W345-F348 HydrophobicContact CB-CD2 3.9Å; W345-F348 HydrophobicContact CD2-CD2 4.47Å; W345-F348 AromaticContact CE3-CD2 3.71Å; W345-F348 HydrophobicContact CE3-CD2 3.71Å; W345-F348 AromaticContact CE3-CE2 3.98Å; W345-F348 HydrophobicContact CE3-CE2 3.98Å; W345-F348 CarbonylContact O-C 3.58Å; W345-F348 PolarHBondContact O-N 3.1Å; W345-A349 WeakPolarHBondContact O-CB 3.16Å; W345-A349 PolarHBondContact O-N 2.83Å; W345-A349 VanDerWaalsContact O-N 3.14Å
346E95.8Very high97.5Very high167 Ų16737.6 Ų37.678%0.7818%0.181SC*.G310 helixtrans-56.8-37.9-173.3-66.3-168.8160.500113.3F348 A349E346-F348 PolarHBondContact O-N 3.08Å; E346-F348 VanDerWaalsContact O-N 3.16Å; E346-A349 PolarHBondContact O-N 2.86Å
347N96.8Very high97.6Very high85 Ų8541.2 Ų41.246%0.45520%0.2SC..G310 helixtrans-62.9-19.2178.5-69.4-33.4000113.8E294 T298 W345E294-N347 PolarHBondContact O-ND2 2.83Å; E294-N347 VanDerWaalsContact O-ND2 3.07Å; T298-N347 HydrophobicContact CG2-CB 4.23Å; W345-N347 PolarHBondContact O-N 2.83Å; W345-N347 VanDerWaalsContact O-N 3.16Å
348F98.3Very high97.7Very high0 Ų043.2 Ų43.20%021%0.208CC..G310 helixtrans-128.819.1-174.3-48.7-67.6000112.7V287 A289 A296 T298 L314 D315 V342 W345 E346V287-F348 HydrophobicContact CG1-CD1 3.97Å; V287-F348 HydrophobicContact CG1-CE1 4.06Å; A289-F348 HydrophobicContact CB-CE1 3.92Å; A289-F348 HydrophobicContact CB-CZ 3.7Å; A296-F348 HydrophobicContact CB-CZ 4.3Å; T298-F348 HydrophobicContact CG2-CE1 3.88Å; T298-F348 HydrophobicContact CG2-CZ 3.92Å; L314-F348 HydrophobicContact CB-CB 4.1Å; L314-F348 HydrophobicContact CB-CD1 3.58Å; L314-F348 HydrophobicContact CB-CD2 4.44Å; L314-F348 HydrophobicContact CB-CE1 4.08Å; L314-F348 HydrophobicContact CB-CG 3.77Å; L314-F348 HydrophobicContact CD1-CD1 4.24Å; L314-F348 HydrophobicContact CD1-CD2 4.11Å; L314-F348 HydrophobicContact CD1-CE1 4.07Å; L314-F348 HydrophobicContact CD1-CE2 3.93Å; L314-F348 HydrophobicContact CD1-CG 4.24Å; L314-F348 HydrophobicContact CD1-CZ 3.91Å; L314-F348 HydrophobicContact CG-CD1 4.46Å; D315-F348 HydrophobicContact CB-CB 4.19Å; D315-F348 WeakPolarHBondContact CB-O 3.39Å; D315-F348 VanDerWaalsContact CG-O 3.24Å; D315-F348 VanDerWaalsContact OD2-C 3.3Å; V342-F348 CarbonylContact C-O 3.57Å; V342-F348 HydrophobicContact CB-CB 4.07Å; V342-F348 PolarHBondContact N-O 3.01Å; V342-F348 CarbonylContact O-C 3.43Å; W345-F348 HydrophobicContact CB-CD2 3.9Å; W345-F348 HydrophobicContact CD2-CD2 4.47Å; W345-F348 AromaticContact CE3-CD2 3.71Å; W345-F348 HydrophobicContact CE3-CD2 3.71Å; W345-F348 AromaticContact CE3-CE2 3.98Å; W345-F348 HydrophobicContact CE3-CE2 3.98Å; W345-F348 CarbonylContact O-C 3.58Å; W345-F348 PolarHBondContact O-N 3.1Å; E346-F348 PolarHBondContact O-N 3.08Å; E346-F348 VanDerWaalsContact O-N 3.16Å
349A98.1Very high98Very high10 Ų1042.9 Ų42.98%0.08321%0.205CC..  trans-103.7-7.6-178.300000114.2F343 W345 E346 T352 K353 W383F343-A349 HydrophobicContact CB-CB 4.46Å; W345-A349 WeakPolarHBondContact O-CB 3.16Å; W345-A349 PolarHBondContact O-N 2.83Å; W345-A349 VanDerWaalsContact O-N 3.14Å; E346-A349 PolarHBondContact O-N 2.86Å; A349-T352 PolarHBondContact O-N 3.38Å; A349-K353 VanDerWaalsContact O-CB 3.31Å; A349-K353 WeakPolarHBondContact O-CB 3.31Å; A349-K353 PolarHBondContact O-N 2.98Å; A349-W383 HydrophobicContact CB-CZ2 4.38Å
350R98.2Very high98.1Very high199 Ų19943 Ų4375%0.75121%0.205SC*.Hα-helixtrans-67.4-41.6-168.5-172.8176.8-177.6169.81.1112.5D315 K353 S354D315-R350 PolarHBondContact OD2-N 2.88Å; R350-K353 PolarHBondContact O-N 3.48Å; R350-S354 VanDerWaalsContact O-CB 3.3Å; R350-S354 WeakPolarHBondContact O-CB 3.43Å; R350-S354 PolarHBondContact O-N 3.24Å; R350-S354 PolarHBondContact O-OG 3.13Å; R350-S354 VanDerWaalsContact O-OG 3.13Å
351G98.5Very high98.1Very high1 Ų147.5 Ų47.51%0.0123%0.226CC..Hα-helixtrans-60.1-50.9176.700000111D315 K353 S354 L355D315-G351 WeakPolarHBondContact OD1-CA 3.3Å; D315-G351 PolarHBondContact OD1-N 3Å; D315-G351 PolarHBondContact OD2-N 3.39Å; G351-K353 PolarHBondContact O-N 3.4Å; G351-S354 PolarHBondContact O-N 3.4Å; G351-S354 PolarHBondContact O-OG 3.36Å; G351-L355 WeakPolarHBondContact O-CB 3.47Å; G351-L355 PolarHBondContact O-N 3.3Å
352T98.7Very high98.1Very high0 Ų047.6 Ų47.60%023%0.225CC..Hα-helixtrans-62.7-43.2177.4-56.60000112.1W336 P339 V340 G341 F343 A349 L355 M356 W383W336-T352 HydrophobicContact CH2-CG2 4.16Å; W336-T352 HydrophobicContact CZ2-CG2 3.96Å; P339-T352 HydrophobicContact CB-CG2 3.76Å; V340-T352 WeakPolarHBondContact CG2-OG1 3.34Å; V340-T352 PolarHBondContact N-OG1 3.37Å; G341-T352 PolarHBondContact N-OG1 3.29Å; F343-T352 HydrophobicContact CB-CG2 4.17Å; A349-T352 PolarHBondContact O-N 3.38Å; T352-L355 PolarHBondContact O-N 2.92Å; T352-M356 PolarHBondContact O-N 2.81Å; T352-W383 HydrophobicContact CG2-CH2 3.6Å; T352-W383 HydrophobicContact CG2-CZ3 3.84Å
353K98.6Very high98.2Very high84 Ų8447.5 Ų47.537%0.36522%0.224SC..Hα-helixtrans-64.4-46.6178.4-173.2-178179-61.10112A349 R350 G351 L355 M356 D357 W383A349-K353 VanDerWaalsContact O-CB 3.31Å; A349-K353 WeakPolarHBondContact O-CB 3.31Å; A349-K353 PolarHBondContact O-N 2.98Å; R350-K353 PolarHBondContact O-N 3.48Å; G351-K353 PolarHBondContact O-N 3.4Å; K353-L355 VanDerWaalsContact C-N 3.28Å; K353-L355 PolarHBondContact O-N 3.16Å; K353-M356 WeakPolarHBondContact O-CB 3.38Å; K353-M356 PolarHBondContact O-N 3.17Å; K353-M356 VanDerWaalsContact O-N 3.15Å; K353-D357 IonicContact NZ-OD1 3.49Å; K353-D357 IonicContact NZ-OD2 2.68Å; K353-D357 PolarHBondContact NZ-OD2 2.89Å; K353-D357 VanDerWaalsContact O-CG 3.32Å; K353-D357 PolarHBondContact O-N 3.09Å; K353-W383 HydrophobicContact CB-CH2 3.87Å; K353-W383 HydrophobicContact CB-CZ2 3.76Å; K353-W383 HydrophobicContact CB-CZ3 4.28Å; K353-W383 HydrophobicContact CG-CD2 4.23Å; K353-W383 HydrophobicContact CG-CZ2 4.28Å
354S98.5Very high98.1Very high41 Ų4156 Ų5629%0.28726%0.256SS..Hα-helixtrans-63.4-36.6179.8690000112.1R350 G351 D357 K358R350-S354 VanDerWaalsContact O-CB 3.3Å; R350-S354 WeakPolarHBondContact O-CB 3.43Å; R350-S354 PolarHBondContact O-N 3.24Å; R350-S354 PolarHBondContact O-OG 3.13Å; R350-S354 VanDerWaalsContact O-OG 3.13Å; G351-S354 PolarHBondContact O-N 3.4Å; G351-S354 PolarHBondContact O-OG 3.36Å; S354-D357 PolarHBondContact O-N 2.79Å; S354-K358 PolarHBondContact O-N 2.66Å; S354-K358 VanDerWaalsContact O-N 3.09Å
355L98.7Very high98.1Very high4 Ų456.4 Ų56.42%0.02127%0.269CS..Hα-helixtrans-65.6-42.1173.6-171.653.6000111.6I211 Y324 V328 W336 V340 G351 T352 K353 K358 V359I211-L355 HydrophobicContact CD1-CD1 4.22Å; I211-L355 HydrophobicContact CD1-CD2 4.32Å; I211-L355 HydrophobicContact CD1-CG 4.38Å; I211-L355 HydrophobicContact CG2-CD2 3.73Å; Y324-L355 HydrophobicContact CD2-CD2 4.36Å; V328-L355 HydrophobicContact CG2-CD1 3.63Å; W336-L355 HydrophobicContact CH2-CB 3.99Å; W336-L355 HydrophobicContact CH2-CD2 4.17Å; W336-L355 HydrophobicContact CH2-CG 3.93Å; W336-L355 HydrophobicContact CZ2-CB 4.41Å; W336-L355 HydrophobicContact CZ2-CD2 3.86Å; W336-L355 HydrophobicContact CZ2-CG 4.14Å; W336-L355 HydrophobicContact CZ3-CG 4.28Å; V340-L355 HydrophobicContact CG1-CD2 3.79Å; V340-L355 HydrophobicContact CG2-CD2 4.17Å; G351-L355 WeakPolarHBondContact O-CB 3.47Å; G351-L355 PolarHBondContact O-N 3.3Å; T352-L355 PolarHBondContact O-N 2.92Å; K353-L355 VanDerWaalsContact C-N 3.28Å; K353-L355 PolarHBondContact O-N 3.16Å; L355-K358 PolarHBondContact O-N 3.02Å; L355-V359 VanDerWaalsContact O-CG2 3.31Å; L355-V359 WeakPolarHBondContact O-CG2 3.33Å; L355-V359 PolarHBondContact O-N 3.46Å
356M98.8Very high98.1Very high0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-61.1-47.1173.6-173.662.973.100112.3W336 T352 K353 K358 V359 V360 C379 C380 W383 T385 V389W336-M356 HydrophobicContact CE3-CE 4.11Å; W336-M356 HydrophobicContact CH2-CB 4.07Å; W336-M356 HydrophobicContact CH2-CE 3.95Å; W336-M356 HydrophobicContact CZ3-CB 3.99Å; W336-M356 HydrophobicContact CZ3-CE 3.45Å; W336-M356 VanDerWaalsContact CZ3-CE 3.45Å; W336-M356 HydrophobicContact CZ3-SD 3.82Å; T352-M356 PolarHBondContact O-N 2.81Å; K353-M356 WeakPolarHBondContact O-CB 3.38Å; K353-M356 PolarHBondContact O-N 3.17Å; K353-M356 VanDerWaalsContact O-N 3.15Å; M356-K358 PolarHBondContact O-N 3.33Å; M356-V359 PolarHBondContact O-N 2.8Å; M356-V359 VanDerWaalsContact O-N 3.14Å; M356-V360 WeakPolarHBondContact O-CG2 3.16Å; M356-V360 PolarHBondContact O-N 2.68Å; M356-V360 HydrophobicContact SD-CG2 4.48Å; M356-C379 HydrophobicContact CE-CB 4.27Å; M356-C380 WeakPolarHBondContact CE-SG 3.38Å; M356-W383 HydrophobicContact CB-CE3 4Å; M356-W383 HydrophobicContact CB-CZ3 4.02Å; M356-W383 HydrophobicContact CG-CE3 4.05Å; M356-W383 HydrophobicContact CG-CZ3 4.47Å; M356-T385 HydrophobicContact CG-CG2 4.05Å; M356-V389 HydrophobicContact SD-CG1 4.44Å
357D98.6Very high98.2Very high76 Ų7649.4 Ų49.441%0.40625%0.254SS..Hα-helixtrans-55.9-41.3177.6-69.2-27.6000110.3K353 S354 E361K353-D357 IonicContact NZ-OD1 3.49Å; K353-D357 IonicContact NZ-OD2 2.68Å; K353-D357 PolarHBondContact NZ-OD2 2.89Å; K353-D357 VanDerWaalsContact O-CG 3.32Å; K353-D357 PolarHBondContact O-N 3.09Å; S354-D357 PolarHBondContact O-N 2.79Å; D357-E361 PolarHBondContact O-N 2.9Å
358K98.8Very high98.2Very high44 Ų4446.1 Ų46.119%0.19124%0.237CC..Hα-helixtrans-71.3-39.8177-170.956.9175-179.60113.6A325 V328 S354 L355 M356 V360 E361 V362A325-K358 HydrophobicContact CB-CD 4.44Å; A325-K358 HydrophobicContact CB-CG 3.98Å; V328-K358 HydrophobicContact CB-CG 3.94Å; V328-K358 HydrophobicContact CG1-CB 4.32Å; V328-K358 HydrophobicContact CG1-CG 3.63Å; S354-K358 PolarHBondContact O-N 2.66Å; S354-K358 VanDerWaalsContact O-N 3.09Å; L355-K358 PolarHBondContact O-N 3.02Å; M356-K358 PolarHBondContact O-N 3.33Å; K358-V360 VanDerWaalsContact C-N 3.32Å; K358-V360 PolarHBondContact O-N 3.09Å; K358-E361 HydrophobicContact CD-CB 4.45Å; K358-E361 WeakPolarHBondContact CD-OE2 3.33Å; K358-E361 IonicContact NZ-OE1 2.8Å; K358-E361 PolarHBondContact NZ-OE1 2.99Å; K358-E361 IonicContact NZ-OE2 3.88Å; K358-E361 PolarHBondContact NZ-OE2 2.97Å; K358-E361 WeakPolarHBondContact O-CB 3.48Å; K358-E361 PolarHBondContact O-N 2.95Å; K358-V362 PolarHBondContact O-N 2.7Å
359V98.8Very high98.2Very high0 Ų046.1 Ų46.10%024%0.237CC..Hα-helixtrans-61.2-42.2174.81680000110.6I211 V328 I334 W336 L355 M356 V362 T363 T369 I371 V389I211-V359 HydrophobicContact CD1-CG2 4.17Å; V328-V359 HydrophobicContact CG1-CG2 4.13Å; V328-V359 HydrophobicContact CG2-CG2 4.29Å; I334-V359 HydrophobicContact CD1-CG2 4.37Å; W336-V359 HydrophobicContact CE3-CG2 4.08Å; W336-V359 HydrophobicContact CZ3-CG2 4.19Å; L355-V359 VanDerWaalsContact O-CG2 3.31Å; L355-V359 WeakPolarHBondContact O-CG2 3.33Å; L355-V359 PolarHBondContact O-N 3.46Å; M356-V359 PolarHBondContact O-N 2.8Å; M356-V359 VanDerWaalsContact O-N 3.14Å; V359-V362 VanDerWaalsContact O-CG2 3.3Å; V359-V362 WeakPolarHBondContact O-CG2 3.4Å; V359-T363 WeakPolarHBondContact O-CB 3.48Å; V359-T363 PolarHBondContact O-N 2.82Å; V359-T363 PolarHBondContact O-OG1 3.16Å; V359-T369 HydrophobicContact CG1-CG2 3.84Å; V359-I371 HydrophobicContact CG1-CD1 4.43Å; V359-V389 HydrophobicContact CG1-CG1 4.23Å
360V98.8Very high98.2Very high11 Ų1145.7 Ų45.77%0.06723%0.233CC..Hα-helixtrans-62-44.5174.2165.40000111.4M356 K358 V362 T363 R364 T385 K388 V389M356-V360 WeakPolarHBondContact O-CG2 3.16Å; M356-V360 PolarHBondContact O-N 2.68Å; M356-V360 HydrophobicContact SD-CG2 4.48Å; K358-V360 VanDerWaalsContact C-N 3.32Å; K358-V360 PolarHBondContact O-N 3.09Å; V360-V362 PolarHBondContact O-N 2.9Å; V360-T363 WeakPolarHBondContact O-CB 3.44Å; V360-T363 PolarHBondContact O-N 2.81Å; V360-R364 WeakPolarHBondContact O-CG 3.5Å; V360-R364 PolarHBondContact O-N 2.9Å; V360-R364 VanDerWaalsContact O-N 3.12Å; V360-T385 HydrophobicContact CG2-CG2 4.08Å; V360-K388 HydrophobicContact CB-CB 4.43Å; V360-K388 HydrophobicContact CG1-CB 3.81Å; V360-K388 HydrophobicContact CG1-CD 4.23Å; V360-K388 HydrophobicContact CG1-CG 4.5Å; V360-K388 HydrophobicContact CG2-CB 3.81Å; V360-V389 HydrophobicContact CG2-CG1 4.22Å
361E98.6Very high98Very high97 Ų9736.2 Ų36.245%0.45320%0.198SC..Hα-helixtrans-57.5-49.4177.8-172.3-155.5128.200112.3D357 K358 T363 R364 S365D357-E361 PolarHBondContact O-N 2.9Å; K358-E361 HydrophobicContact CD-CB 4.45Å; K358-E361 WeakPolarHBondContact CD-OE2 3.33Å; K358-E361 IonicContact NZ-OE1 2.8Å; K358-E361 PolarHBondContact NZ-OE1 2.99Å; K358-E361 IonicContact NZ-OE2 3.88Å; K358-E361 PolarHBondContact NZ-OE2 2.97Å; K358-E361 WeakPolarHBondContact O-CB 3.48Å; K358-E361 PolarHBondContact O-N 2.95Å; E361-T363 VanDerWaalsContact C-N 3.31Å; E361-T363 PolarHBondContact O-N 2.69Å; E361-R364 PolarHBondContact O-N 2.87Å; E361-S365 PolarHBondContact O-N 3.21Å; E361-S365 PolarHBondContact O-OG 3.13Å
362V98.6Very high97.6Very high13 Ų1336.2 Ų36.28%0.07920%0.198CC..Hα-helixtrans-71.2-28.9-179.8-59.70000112.2V328 I334 K358 V359 V360 S365 G366 C367 T369V328-V362 HydrophobicContact CG1-CB 4.47Å; V328-V362 HydrophobicContact CG1-CG1 3.97Å; V328-V362 HydrophobicContact CG1-CG2 3.65Å; I334-V362 HydrophobicContact CD1-CG2 3.89Å; K358-V362 PolarHBondContact O-N 2.7Å; V359-V362 VanDerWaalsContact O-CG2 3.3Å; V359-V362 WeakPolarHBondContact O-CG2 3.4Å; V360-V362 PolarHBondContact O-N 2.9Å; V362-S365 CarbonylContact O-C 3.57Å; V362-S365 WeakPolarHBondContact O-CA 3.39Å; V362-S365 WeakPolarHBondContact O-CB 3.39Å; V362-S365 PolarHBondContact O-N 2.74Å; V362-S365 VanDerWaalsContact O-N 3.09Å; V362-G366 PolarHBondContact O-N 2.9Å; V362-C367 HydrophobicContact CB-CB 3.9Å; V362-C367 HydrophobicContact CG2-CB 3.87Å; V362-C367 WeakPolarHBondContact O-CB 3.32Å; V362-C367 PolarHBondContact O-N 3.05Å; V362-T369 HydrophobicContact CG2-CG2 4.48Å
363T98.6Very high96.8Very high23 Ų2336.7 Ų36.714%0.14120%0.203CC..Hα-helixtrans-60-47173.1-53.40000110.8V359 V360 E361 S365 G366 C367 T369V359-T363 WeakPolarHBondContact O-CB 3.48Å; V359-T363 PolarHBondContact O-N 2.82Å; V359-T363 PolarHBondContact O-OG1 3.16Å; V360-T363 WeakPolarHBondContact O-CB 3.44Å; V360-T363 PolarHBondContact O-N 2.81Å; E361-T363 VanDerWaalsContact C-N 3.31Å; E361-T363 PolarHBondContact O-N 2.69Å; T363-S365 PolarHBondContact O-N 3.43Å; T363-S365 VanDerWaalsContact O-N 3.14Å; T363-G366 PolarHBondContact O-N 2.91Å; T363-C367 WeakPolarHBondContact CA-O 3.36Å; T363-T369 WeakPolarHBondContact CG2-OG1 3.42Å; T363-T369 WeakPolarHBondContact OG1-CB 3.42Å; T363-T369 WeakPolarHBondContact OG1-CG2 3.47Å; T363-T369 PolarHBondContact OG1-OG1 3.18Å
364R97.4Very high96.1Very high187 Ų18734.8 Ų34.871%0.70621%0.207SC*.Hα-helixtrans-60.1-24.8176.1-68.7174.3179174.2-0.6112.9V360 E361 G366V360-R364 WeakPolarHBondContact O-CG 3.5Å; V360-R364 PolarHBondContact O-N 2.9Å; V360-R364 VanDerWaalsContact O-N 3.12Å; E361-R364 PolarHBondContact O-N 2.87Å; R364-G366 VanDerWaalsContact C-N 3.33Å
365S96.1Very high95.6Very high98 Ų9837.4 Ų37.469%0.68522%0.217SC*.THydrogen-bonded Turntrans-90.17.8177.1-53.30000113.5E361 V362 T363E361-S365 PolarHBondContact O-N 3.21Å; E361-S365 PolarHBondContact O-OG 3.13Å; V362-S365 CarbonylContact O-C 3.57Å; V362-S365 WeakPolarHBondContact O-CA 3.39Å; V362-S365 WeakPolarHBondContact O-CB 3.39Å; V362-S365 PolarHBondContact O-N 2.74Å; V362-S365 VanDerWaalsContact O-N 3.09Å; T363-S365 PolarHBondContact O-N 3.43Å; T363-S365 VanDerWaalsContact O-N 3.14Å
366G96.5Very high95.3Very high57 Ų5737.2 Ų37.259%0.58822%0.217SC*.THydrogen-bonded Turntrans96.67.4175.300000115.7V362 T363 R364V362-G366 PolarHBondContact O-N 2.9Å; T363-G366 PolarHBondContact O-N 2.91Å; R364-G366 VanDerWaalsContact C-N 3.33Å
367C97.9Very high94.9Very high7 Ų738.3 Ų38.35%0.04723%0.225CC..  trans-70.1134.6170.2-172.20000110.4A331 K332 V362 T363 T369A331-C367 PolarHBondContact O-SG 3.47Å; A331-C367 VanDerWaalsContact O-SG 3.38Å; K332-C367 WeakPolarHBondContact O-CA 3.41Å; K332-C367 PolarHBondContact O-SG 2.98Å; K332-C367 VanDerWaalsContact O-SG 3.38Å; V362-C367 HydrophobicContact CB-CB 3.9Å; V362-C367 HydrophobicContact CG2-CB 3.87Å; V362-C367 WeakPolarHBondContact O-CB 3.32Å; V362-C367 PolarHBondContact O-N 3.05Å; T363-C367 WeakPolarHBondContact CA-O 3.36Å; C367-T369 HydrophobicContact CB-CG2 4.4Å
368V97.8Very high94.5Very high16 Ų1638.2 Ų38.210%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-81.1119.3173.5178.20000109.2Y196 M199 K332 Q333 I334 I370Y196-V368 HydrophobicContact CD1-CG1 4.25Å; Y196-V368 HydrophobicContact CE1-CG1 4.12Å; M199-V368 HydrophobicContact CE-CB 4.43Å; M199-V368 HydrophobicContact CE-CG1 3.92Å; M199-V368 HydrophobicContact CE-CG2 3.89Å; K332-V368 PolarHBondContact O-N 3.28Å; Q333-V368 CarbonylContact C-O 3.39Å; Q333-V368 VanDerWaalsContact CA-O 3.26Å; Q333-V368 WeakPolarHBondContact CA-O 3.39Å; Q333-V368 HydrophobicContact CG-CB 4.14Å; Q333-V368 HydrophobicContact CG-CG1 4.34Å; I334-V368 PolarHBondContact N-O 2.92Å; V368-I370 HydrophobicContact CG1-CG1 4.39Å
369T98.1Very high94.3Very high0 Ų036.1 Ų36.10%022%0.219CC..EExtended strand (participates in β ladder)trans-121.2120.4-175.2570000112I334 V359 V362 T363 C367 S390 H391I334-T369 HydrophobicContact CB-CG2 4.2Å; I334-T369 HydrophobicContact CD1-CG2 4.15Å; I334-T369 HydrophobicContact CG1-CG2 4.42Å; V359-T369 HydrophobicContact CG1-CG2 3.84Å; V362-T369 HydrophobicContact CG2-CG2 4.48Å; T363-T369 WeakPolarHBondContact CG2-OG1 3.42Å; T363-T369 WeakPolarHBondContact OG1-CB 3.42Å; T363-T369 WeakPolarHBondContact OG1-CG2 3.47Å; T363-T369 PolarHBondContact OG1-OG1 3.18Å; C367-T369 HydrophobicContact CB-CG2 4.4Å; T369-S390 PolarHBondContact N-OG 3.09Å; T369-S390 VanDerWaalsContact O-CB 3.28Å; T369-S390 WeakPolarHBondContact O-CB 3.4Å; T369-S390 PolarHBondContact O-N 2.74Å; T369-S390 PolarHBondContact OG1-N 2.73Å; T369-S390 PolarHBondContact OG1-OG 3.44Å; T369-H391 PolarHBondContact O-N 3.22Å
370I96.8Very high94.1Very high1 Ų136.1 Ų36.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-116.6113.1-175.9-58.1168.4000108.4Y196 F197 A200 I334 V335 W336 V368Y196-I370 HydrophobicContact CD1-CD1 4.19Å; Y196-I370 HydrophobicContact CD1-CG1 3.92Å; Y196-I370 HydrophobicContact CG-CG1 4.5Å; Y196-I370 VanDerWaalsContact O-CD1 3.29Å; Y196-I370 WeakPolarHBondContact O-CD1 3.22Å; F197-I370 HydrophobicContact CE1-CG2 4.24Å; F197-I370 HydrophobicContact CZ-CG2 4.39Å; A200-I370 HydrophobicContact CB-CD1 4.01Å; I334-I370 PolarHBondContact O-N 3.24Å; V335-I370 CarbonylContact C-O 3.58Å; V335-I370 WeakPolarHBondContact CA-O 3.42Å; V335-I370 HydrophobicContact CG2-CB 4Å; V335-I370 HydrophobicContact CG2-CD1 4.11Å; V335-I370 HydrophobicContact CG2-CG2 4.36Å; W336-I370 PolarHBondContact N-O 3.33Å; V368-I370 HydrophobicContact CG1-CG1 4.39Å
371I94.9Very high93.7Very high1 Ų137.2 Ų37.21%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-94.1121.6175.7-53-53.6000108.2W336 V359 T376 V389 H391 V392 S393W336-I371 HydrophobicContact CB-CD1 3.99Å; W336-I371 HydrophobicContact CD2-CD1 4.48Å; W336-I371 HydrophobicContact CE3-CD1 3.87Å; V359-I371 HydrophobicContact CG1-CD1 4.43Å; I371-T376 HydrophobicContact CG2-CG2 3.61Å; I371-V389 HydrophobicContact CD1-CG1 4.45Å; I371-V389 HydrophobicContact CG1-CB 4.24Å; I371-V389 HydrophobicContact CG1-CG1 4.23Å; I371-V389 HydrophobicContact CG1-CG2 3.92Å; I371-H391 PolarHBondContact N-O 3.46Å; I371-V392 HydrophobicContact CB-CG2 4.31Å; I371-V392 HydrophobicContact CG1-CG2 4.4Å; I371-V392 HydrophobicContact CG2-CG1 4.49Å; I371-S393 VanDerWaalsContact O-CB 3.31Å; I371-S393 WeakPolarHBondContact O-CB 3.44Å; I371-S393 PolarHBondContact O-N 3.2Å
372G89.4Confident93.4Very high1 Ų137 Ų371%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-121.8158.3176.600000112.5W336 N337 T376W336-G372 PolarHBondContact O-N 3.3Å; W336-G372 VanDerWaalsContact O-O 3.14Å; N337-G372 WeakPolarHBondContact CA-O 3.4Å; G372-T376 WeakPolarHBondContact O-CB 3.43Å
373G82.6Confident93.3Very high10 Ų1038.5 Ų38.510%0.10323%0.231CC..SBendtrans87.5150-18000000113.3N337 A377N337-G373 PolarHBondContact ND2-N 2.96Å; G373-A377 WeakPolarHBondContact O-CB 3.48Å; G373-A377 PolarHBondContact O-N 2.91Å; G373-A377 VanDerWaalsContact O-N 3.16Å
374G83.5Confident93.2Very high44 Ų4442.8 Ų42.845%0.45425%0.253SS..Hα-helixtrans-62-51.4-175.400000112.8T376 A377 T378G374-T376 PolarHBondContact O-N 3.41Å; G374-A377 PolarHBondContact O-N 3.43Å; G374-T378 PolarHBondContact O-N 2.84Å; G374-T378 PolarHBondContact O-OG1 3.14Å; G374-T378 VanDerWaalsContact O-OG1 3.08Å
375D88.8Confident93.2Very high95 Ų9534.1 Ų34.151%0.50822%0.221SC..Hα-helixtrans-68-35.5-174.6-56.4-36.5000112.7P339 F343 T378 C379P339-D375 HydrophobicContact CG-CB 4.32Å; F343-D375 HydrophobicContact CE1-CB 4.09Å; D375-T378 CarbonylContact O-C 3.59Å; D375-T378 WeakPolarHBondContact O-CB 3.3Å; D375-T378 PolarHBondContact O-N 3.43Å; D375-C379 PolarHBondContact O-N 3.48Å; D375-C379 PolarHBondContact O-SG 3.34Å
376T92.4Very high93Very high1 Ų132.4 Ų32.41%0.00620%0.202CC..Hα-helixtrans-72.5-32.4177-41.40000111.9W336 G338 I371 G372 G374 C379 C380W336-T376 HydrophobicContact CD2-CG2 3.73Å; W336-T376 HydrophobicContact CE3-CG2 4.25Å; W336-T376 HydrophobicContact CG-CG2 3.87Å; W336-T376 HydrophobicContact CZ2-CG2 4.38Å; G338-T376 VanDerWaalsContact CA-OG1 3.23Å; G338-T376 WeakPolarHBondContact CA-OG1 3.36Å; G338-T376 PolarHBondContact N-OG1 3.49Å; I371-T376 HydrophobicContact CG2-CG2 3.61Å; G372-T376 WeakPolarHBondContact O-CB 3.43Å; G374-T376 PolarHBondContact O-N 3.41Å; T376-C379 WeakPolarHBondContact O-CB 3.46Å; T376-C379 PolarHBondContact O-N 2.78Å; T376-C380 PolarHBondContact O-N 3.34Å; T376-C380 PolarHBondContact O-SG 3.19Å; T376-C380 VanDerWaalsContact O-SG 3.35Å
377A90.3Very high92.9Very high22 Ų2236 Ų3618%0.18221%0.208CC..Hα-helixtrans-65.4-40.9168.100000111.3G373 G374 C379 C380 A381 V392G373-A377 WeakPolarHBondContact O-CB 3.48Å; G373-A377 PolarHBondContact O-N 2.91Å; G373-A377 VanDerWaalsContact O-N 3.16Å; G374-A377 PolarHBondContact O-N 3.43Å; A377-C379 VanDerWaalsContact C-N 3.29Å; A377-C379 PolarHBondContact O-N 3.39Å; A377-C380 WeakPolarHBondContact O-CB 3.47Å; A377-C380 PolarHBondContact O-N 2.97Å; A377-A381 PolarHBondContact O-N 3.02Å; A377-V392 HydrophobicContact CB-CG1 3.7Å
378T90Very high92.8Very high74 Ų7439 Ų3945%0.45422%0.22SC..Hα-helixtrans-61.1-36.7172.8-55.20000112F343 G374 D375 C380 A381 K382F343-T378 HydrophobicContact CE2-CG2 4.05Å; F343-T378 HydrophobicContact CZ-CG2 3.98Å; G374-T378 PolarHBondContact O-N 2.84Å; G374-T378 PolarHBondContact O-OG1 3.14Å; G374-T378 VanDerWaalsContact O-OG1 3.08Å; D375-T378 CarbonylContact O-C 3.59Å; D375-T378 WeakPolarHBondContact O-CB 3.3Å; D375-T378 PolarHBondContact O-N 3.43Å; T378-C380 VanDerWaalsContact C-N 3.31Å; T378-C380 PolarHBondContact O-N 3.11Å; T378-A381 PolarHBondContact O-N 3.48Å; T378-K382 WeakPolarHBondContact O-CB 3.2Å; T378-K382 PolarHBondContact O-N 3.42Å
379C94.1Very high92.8Very high0 Ų038.8 Ų38.80%022%0.219CC..Hα-helixtrans-59.1-42.9171.8-63.80000111.6F343 M356 D375 T376 A377 K382 W383F343-C379 HydrophobicContact CD2-CB 4.35Å; F343-C379 WeakPolarHBondContact CD2-SG 3.5Å; F343-C379 HydrophobicContact CE2-CB 4.46Å; F343-C379 VanDerWaalsContact CE2-SG 3.56Å; F343-C379 WeakPolarHBondContact CG-SG 3.42Å; M356-C379 HydrophobicContact CE-CB 4.27Å; D375-C379 PolarHBondContact O-N 3.48Å; D375-C379 PolarHBondContact O-SG 3.34Å; T376-C379 WeakPolarHBondContact O-CB 3.46Å; T376-C379 PolarHBondContact O-N 2.78Å; A377-C379 VanDerWaalsContact C-N 3.29Å; A377-C379 PolarHBondContact O-N 3.39Å; C379-K382 PolarHBondContact O-N 3.06Å; C379-W383 HydrophobicContact CB-CE3 4.14Å; C379-W383 HydrophobicContact CB-CH2 4.28Å; C379-W383 HydrophobicContact CB-CZ3 3.71Å; C379-W383 VanDerWaalsContact O-CE3 3.28Å; C379-W383 PolarHBondContact O-N 3.25Å
380C94.3Very high92.7Very high0 Ų040.1 Ų40.10%023%0.228CC..Hα-helixtrans-63-44.5177.7-61.80000111.7M356 T376 A377 T378 W383 D384 T385 E386 V392M356-C380 WeakPolarHBondContact CE-SG 3.38Å; T376-C380 PolarHBondContact O-N 3.34Å; T376-C380 PolarHBondContact O-SG 3.19Å; T376-C380 VanDerWaalsContact O-SG 3.35Å; A377-C380 WeakPolarHBondContact O-CB 3.47Å; A377-C380 PolarHBondContact O-N 2.97Å; T378-C380 VanDerWaalsContact C-N 3.31Å; T378-C380 PolarHBondContact O-N 3.11Å; C380-W383 PolarHBondContact O-N 3.36Å; C380-D384 PolarHBondContact O-N 3.27Å; C380-T385 VanDerWaalsContact CA-OG1 3.31Å; C380-T385 WeakPolarHBondContact CA-OG1 3.46Å; C380-T385 PolarHBondContact O-N 3.41Å; C380-E386 HydrophobicContact CB-CG 3.75Å; C380-V392 HydrophobicContact CB-CG2 4.21Å
381A90.7Very high92.7Very high35 Ų3540.4 Ų40.429%0.28923%0.229SC..Hα-helixtrans-65.7-38.7176.800000112.3A377 T378 W383 D384A377-A381 PolarHBondContact O-N 3.02Å; T378-A381 PolarHBondContact O-N 3.48Å; A381-W383 PolarHBondContact O-N 3.29Å; A381-D384 PolarHBondContact O-N 2.74Å
382K93.1Very high92.6Very high92 Ų9241.4 Ų41.440%0.424%0.236SC..Hα-helixtrans-63-29.4178.6-176.7171.4-179167.80112.8F343 E344 T378 C379F343-K382 HydrophobicContact CD2-CD 4.17Å; F343-K382 HydrophobicContact CE2-CD 4.31Å; F343-K382 PolarHBondContact O-NZ 3.34Å; E344-K382 PolarHBondContact O-NZ 2.57Å; T378-K382 WeakPolarHBondContact O-CB 3.2Å; T378-K382 PolarHBondContact O-N 3.42Å; C379-K382 PolarHBondContact O-N 3.06Å
383W96.5Very high92.7Very high45 Ų4541.5 Ų41.517%0.1724%0.236CC..THydrogen-bonded Turntrans-11616.4-176.7-57.3-42.3000113.7F343 A349 T352 K353 M356 C379 C380 A381 T385F343-W383 HydrophobicContact CB-CH2 4.27Å; A349-W383 HydrophobicContact CB-CZ2 4.38Å; T352-W383 HydrophobicContact CG2-CH2 3.6Å; T352-W383 HydrophobicContact CG2-CZ3 3.84Å; K353-W383 HydrophobicContact CB-CH2 3.87Å; K353-W383 HydrophobicContact CB-CZ2 3.76Å; K353-W383 HydrophobicContact CB-CZ3 4.28Å; K353-W383 HydrophobicContact CG-CD2 4.23Å; K353-W383 HydrophobicContact CG-CZ2 4.28Å; M356-W383 HydrophobicContact CB-CE3 4Å; M356-W383 HydrophobicContact CB-CZ3 4.02Å; M356-W383 HydrophobicContact CG-CE3 4.05Å; M356-W383 HydrophobicContact CG-CZ3 4.47Å; C379-W383 HydrophobicContact CB-CE3 4.14Å; C379-W383 HydrophobicContact CB-CH2 4.28Å; C379-W383 HydrophobicContact CB-CZ3 3.71Å; C379-W383 VanDerWaalsContact O-CE3 3.28Å; C379-W383 PolarHBondContact O-N 3.25Å; C380-W383 PolarHBondContact O-N 3.36Å; A381-W383 PolarHBondContact O-N 3.29Å; W383-T385 VanDerWaalsContact C-N 3.31Å; W383-T385 HydrophobicContact CB-CG2 4.1Å; W383-T385 VanDerWaalsContact O-CG2 3.26Å; W383-T385 WeakPolarHBondContact O-CG2 3.42Å; W383-T385 PolarHBondContact O-N 3.1Å
384D95.9Very high92.7Very high112 Ų11242.8 Ų42.860%0.59924%0.242SC*.THydrogen-bonded Turntrans49.149.5179.2-54.8-57.9000112.2C380 A381 K388C380-D384 PolarHBondContact O-N 3.27Å; A381-D384 PolarHBondContact O-N 2.74Å; D384-K388 VanDerWaalsContact O-CE 3.22Å; D384-K388 WeakPolarHBondContact O-CE 3.48Å; D384-K388 PolarHBondContact O-NZ 2.87Å
385T96.8Very high92.6Very high5 Ų540.9 Ų40.93%0.03122%0.222CC..  trans-113.78.1-178.468.30000114.2M356 V360 C380 W383 D387 K388 V389M356-T385 HydrophobicContact CG-CG2 4.05Å; V360-T385 HydrophobicContact CG2-CG2 4.08Å; C380-T385 VanDerWaalsContact CA-OG1 3.31Å; C380-T385 WeakPolarHBondContact CA-OG1 3.46Å; C380-T385 PolarHBondContact O-N 3.41Å; W383-T385 VanDerWaalsContact C-N 3.31Å; W383-T385 HydrophobicContact CB-CG2 4.1Å; W383-T385 VanDerWaalsContact O-CG2 3.26Å; W383-T385 WeakPolarHBondContact O-CG2 3.42Å; W383-T385 PolarHBondContact O-N 3.1Å; T385-D387 PolarHBondContact O-N 2.84Å; T385-K388 HydrophobicContact CG2-CD 4.26Å; T385-K388 PolarHBondContact O-N 3Å; T385-V389 PolarHBondContact O-N 3.35Å
386E92.8Very high92.4Very high62 Ų6237.5 Ų37.529%0.2921%0.209SC..THydrogen-bonded Turntrans-63-32-176.7-63.6151.2107.800113Q38 C380 V392Q38-E386 PolarHBondContact NE2-OE1 2.82Å; Q38-E386 PolarHBondContact OE1-OE1 3.46Å; C380-E386 HydrophobicContact CB-CG 3.75Å; E386-V392 HydrophobicContact CB-CG2 4.33Å; E386-V392 HydrophobicContact CG-CG2 4.46Å
387D93.6Very high92Very high134 Ų13439.2 Ų39.272%0.71723%0.227SC*.THydrogen-bonded Turntrans-89.5-4.7175.268.6-40.4000113.3T385T385-D387 PolarHBondContact O-N 2.84Å
388K97.4Very high92Very high70 Ų7038.1 Ų38.130%0.30422%0.219SC..THydrogen-bonded Turntrans-102.3-4.9-176.1-60.2176.3-169149.60113.6V360 D384 T385V360-K388 HydrophobicContact CB-CB 4.43Å; V360-K388 HydrophobicContact CG1-CB 3.81Å; V360-K388 HydrophobicContact CG1-CD 4.23Å; V360-K388 HydrophobicContact CG1-CG 4.5Å; V360-K388 HydrophobicContact CG2-CB 3.81Å; D384-K388 VanDerWaalsContact O-CE 3.22Å; D384-K388 WeakPolarHBondContact O-CE 3.48Å; D384-K388 PolarHBondContact O-NZ 2.87Å; T385-K388 HydrophobicContact CG2-CD 4.26Å; T385-K388 PolarHBondContact O-N 3Å
389V97.4Very high92Very high11 Ų1134.6 Ų34.67%0.06720%0.197CC..SBendtrans-113.3161.4173.4-62.30000109.9M356 V359 V360 I371 T385 V392M356-V389 HydrophobicContact SD-CG1 4.44Å; V359-V389 HydrophobicContact CG1-CG1 4.23Å; V360-V389 HydrophobicContact CG2-CG1 4.22Å; I371-V389 HydrophobicContact CD1-CG1 4.45Å; I371-V389 HydrophobicContact CG1-CB 4.24Å; I371-V389 HydrophobicContact CG1-CG1 4.23Å; I371-V389 HydrophobicContact CG1-CG2 3.92Å; T385-V389 PolarHBondContact O-N 3.35Å; V389-V392 HydrophobicContact CG2-CG2 3.41Å; V389-V392 VanDerWaalsContact CG2-CG2 3.41Å
390S96.6Very high91.7Very high28 Ų2836.3 Ų36.320%0.19621%0.206CC..SBendtrans-67.6-41.5-177.8-45.50000112.1Y196 T369Y196-S390 PolarHBondContact OH-O 3.45Å; T369-S390 PolarHBondContact N-OG 3.09Å; T369-S390 VanDerWaalsContact O-CB 3.28Å; T369-S390 WeakPolarHBondContact O-CB 3.4Å; T369-S390 PolarHBondContact O-N 2.74Å; T369-S390 PolarHBondContact OG1-N 2.73Å; T369-S390 PolarHBondContact OG1-OG 3.44Å
391H95.1Very high91.5Very high6 Ų638.9 Ų38.93%0.02822%0.218CC..EExtended strand (participates in β ladder)trans-149.9129.8-179.9-173.152.3000112.8K192 E193 Y196 T369 I371K192-H391 WeakPolarHBondContact CE-ND1 3.28Å; E193-H391 VanDerWaalsContact CD-NE2 3.32Å; E193-H391 IonicContact OE1-NE2 2.72Å; E193-H391 IonicContact OE2-CD2 2.81Å; E193-H391 IonicContact OE2-CE1 3.61Å; E193-H391 IonicContact OE2-NE2 3.03Å; E193-H391 PolarHBondContact OE2-NE2 2.92Å; Y196-H391 HydrophobicContact CD1-CB 3.81Å; Y196-H391 HydrophobicContact CD2-CB 3.56Å; Y196-H391 AromaticContact CD2-CG 3.53Å; Y196-H391 AromaticContact CD2-ND1 3.87Å; Y196-H391 HydrophobicContact CE1-CB 3.95Å; Y196-H391 HydrophobicContact CE2-CB 3.74Å; Y196-H391 HydrophobicContact CG-CB 3.61Å; Y196-H391 AromaticContact CG-CG 3.8Å; T369-H391 PolarHBondContact O-N 3.22Å; I371-H391 PolarHBondContact N-O 3.46Å
392V93.1Very high91.5Very high23 Ų2337.6 Ų37.614%0.13921%0.206CC..EExtended strand (participates in β ladder)trans-106.3113.2163.8-177.50000108I371 A377 C380 E386 V389I371-V392 HydrophobicContact CB-CG2 4.31Å; I371-V392 HydrophobicContact CG1-CG2 4.4Å; I371-V392 HydrophobicContact CG2-CG1 4.49Å; A377-V392 HydrophobicContact CB-CG1 3.7Å; C380-V392 HydrophobicContact CB-CG2 4.21Å; E386-V392 HydrophobicContact CB-CG2 4.33Å; E386-V392 HydrophobicContact CG-CG2 4.46Å; V389-V392 HydrophobicContact CG2-CG2 3.41Å; V389-V392 VanDerWaalsContact CG2-CG2 3.41Å
393S91Very high91.4Very high3 Ų333.3 Ų33.32%0.02119%0.187CC..  trans-72.2131.5-179.7-172.30000111.1E193 I371 G395 S399E193-S393 VanDerWaalsContact CD-OG 3.28Å; E193-S393 WeakPolarHBondContact OE1-CA 2.9Å; E193-S393 PolarHBondContact OE1-OG 2.84Å; E193-S393 VanDerWaalsContact OE2-CB 3.29Å; E193-S393 WeakPolarHBondContact OE2-CB 3.28Å; E193-S393 PolarHBondContact OE2-OG 2.64Å; I371-S393 VanDerWaalsContact O-CB 3.31Å; I371-S393 WeakPolarHBondContact O-CB 3.44Å; I371-S393 PolarHBondContact O-N 3.2Å; S393-G395 VanDerWaalsContact C-N 3.27Å; S393-G395 PolarHBondContact OG-N 2.91Å; S393-S399 PolarHBondContact OG-OG 3.18Å
394T83.4Confident91.1Very high37 Ų3732 Ų3223%0.22718%0.184CC..SBendtrans-86.7-2.8173.162.10000112.4R39 L189 E193R39-T394 PolarHBondContact NH1-O 3.44Å; L189-T394 HydrophobicContact CD1-CG2 4.48Å; L189-T394 WeakPolarHBondContact CD2-OG1 3.46Å; E193-T394 PolarHBondContact OE1-N 3.27Å; E193-T394 PolarHBondContact OE1-OG1 3.38Å
395G82.6Confident90.7Very high3 Ų329 Ų293%0.03118%0.179CC..  trans-76.1-21.1-168.800000115.8F166 S393 G397 A398 S399F166-G395 VanDerWaalsContact CD1-CA 3.44Å; S393-G395 VanDerWaalsContact C-N 3.27Å; S393-G395 PolarHBondContact OG-N 2.91Å; G395-G397 PolarHBondContact O-N 2.84Å; G395-A398 WeakPolarHBondContact O-CB 3.25Å; G395-A398 PolarHBondContact O-N 3.44Å; G395-S399 WeakPolarHBondContact CA-OG 3.25Å
396G83.7Confident90.5Very high24 Ų2432.2 Ų32.225%0.24719%0.193CC..THydrogen-bonded Turntrans50.7-109.2-177.800000112.2A398 S399 L400G396-A398 VanDerWaalsContact C-N 3.34Å; G396-A398 PolarHBondContact O-N 3.47Å; G396-S399 PolarHBondContact N-OG 3.45Å; G396-S399 PolarHBondContact O-N 2.84Å; G396-L400 PolarHBondContact O-N 3.38Å
397G83.6Confident90.5Very high37 Ų3733.4 Ų33.438%0.38120%0.204SC..Hα-helixtrans-64.6-31.217600000114.3G395 L400 E401G395-G397 PolarHBondContact O-N 2.84Å; G397-L400 WeakPolarHBondContact O-CB 3.22Å; G397-L400 PolarHBondContact O-N 3.41Å; G397-E401 PolarHBondContact O-N 3.26Å
398A90.6Very high90.6Very high0 Ų027.1 Ų27.10%017%0.17CC..Hα-helixtrans-64-43176.600000111.9F166 H170 G395 G396 L400 E401 L402 L408F166-A398 HydrophobicContact CD1-CB 4.42Å; F166-A398 HydrophobicContact CE1-CB 4.21Å; F166-A398 HydrophobicContact CZ-CB 4.4Å; F166-A398 WeakPolarHBondContact O-CB 3.3Å; H170-A398 HydrophobicContact CB-CB 4.18Å; G395-A398 WeakPolarHBondContact O-CB 3.25Å; G395-A398 PolarHBondContact O-N 3.44Å; G396-A398 VanDerWaalsContact C-N 3.34Å; G396-A398 PolarHBondContact O-N 3.47Å; A398-L400 VanDerWaalsContact C-N 3.3Å; A398-L400 PolarHBondContact O-N 3.27Å; A398-E401 PolarHBondContact O-N 3.45Å; A398-L402 WeakPolarHBondContact O-CB 3.32Å; A398-L402 PolarHBondContact O-N 3.03Å; A398-L408 HydrophobicContact CB-CD1 4.32Å
399S89.9Confident90.6Very high0 Ų025.6 Ų25.60%017%0.167CC..Hα-helixtrans-61-41.2175.3-39.60000111.2S393 G395 G396 L402 L403S393-S399 PolarHBondContact OG-OG 3.18Å; G395-S399 WeakPolarHBondContact CA-OG 3.25Å; G396-S399 PolarHBondContact N-OG 3.45Å; G396-S399 PolarHBondContact O-N 2.84Å; S399-L402 PolarHBondContact O-N 3.01Å; S399-L403 WeakPolarHBondContact O-CB 3.36Å; S399-L403 VanDerWaalsContact O-CG 3.25Å; S399-L403 WeakPolarHBondContact O-CG 3.43Å; S399-L403 PolarHBondContact O-N 2.93Å
400L87.6Confident90.6Very high36 Ų3625.1 Ų25.119%0.18816%0.164CC..Hα-helixtrans-63.8-52.6177.7178.763.2000111.3L223 G396 G397 A398 L402 L403 E404L223-L400 HydrophobicContact CB-CD1 4.23Å; L223-L400 HydrophobicContact CD1-CD1 4.33Å; L223-L400 HydrophobicContact CD2-CD1 3.7Å; L223-L400 HydrophobicContact CG-CD1 4.3Å; G396-L400 PolarHBondContact O-N 3.38Å; G397-L400 WeakPolarHBondContact O-CB 3.22Å; G397-L400 PolarHBondContact O-N 3.41Å; A398-L400 VanDerWaalsContact C-N 3.3Å; A398-L400 PolarHBondContact O-N 3.27Å; L400-L402 PolarHBondContact O-N 3.34Å; L400-L403 CarbonylContact O-C 3.51Å; L400-L403 PolarHBondContact O-N 3.26Å; L400-L403 VanDerWaalsContact O-N 3.12Å; L400-E404 VanDerWaalsContact O-CG 3.31Å; L400-E404 WeakPolarHBondContact O-CG 3.43Å; L400-E404 PolarHBondContact O-N 3.23Å
401E90.6Very high90.6Very high53 Ų5324 Ų2425%0.24816%0.156CC..Hα-helixtrans-59.9-35.5179.1-73.9-168.1-150.400112.2H170 G397 A398 E404 G405 K406 L408H170-E401 IonicContact CD2-OE1 2.9Å; H170-E401 PolarHBondContact CD2-OE1 3.39Å; H170-E401 VanDerWaalsContact CD2-OE1 3.32Å; H170-E401 IonicContact CG-OE1 3.55Å; G397-E401 PolarHBondContact O-N 3.26Å; A398-E401 PolarHBondContact O-N 3.45Å; E401-E404 WeakPolarHBondContact O-CB 3.33Å; E401-E404 PolarHBondContact O-N 3.3Å; E401-G405 PolarHBondContact O-N 2.94Å; E401-K406 HydrophobicContact CB-CB 4.32Å; E401-K406 HydrophobicContact CB-CD 3.97Å; E401-K406 HydrophobicContact CG-CD 3.97Å; E401-K406 VanDerWaalsContact O-CB 3.3Å; E401-K406 WeakPolarHBondContact O-CB 3.47Å; E401-K406 PolarHBondContact O-N 3.11Å; E401-L408 HydrophobicContact CB-CD2 3.93Å
402L91.4Very high90.7Very high9 Ų927.4 Ų27.45%0.04718%0.175CC..Hα-helixtrans-67.1-43.8175.9-170.163.2000111.9L3 F166 F197 L201 A398 S399 L400 E404 G405 L408L3-L402 HydrophobicContact CD1-CD1 4.1Å; L3-L402 HydrophobicContact CD1-CD2 4.05Å; L3-L402 HydrophobicContact CD1-CG 4.39Å; L3-L402 HydrophobicContact CD2-CD1 3.84Å; L3-L402 HydrophobicContact CD2-CD2 4.44Å; F166-L402 HydrophobicContact CE2-CD2 4.21Å; F166-L402 HydrophobicContact CZ-CD2 3.9Å; F197-L402 HydrophobicContact CB-CD2 3.48Å; F197-L402 VanDerWaalsContact CB-CD2 3.48Å; F197-L402 HydrophobicContact CB-CG 4.47Å; F197-L402 HydrophobicContact CD1-CD2 4.21Å; F197-L402 HydrophobicContact CD2-CD2 3.72Å; F197-L402 HydrophobicContact CG-CD2 3.54Å; L201-L402 HydrophobicContact CD1-CD1 4.39Å; L201-L402 HydrophobicContact CD1-CG 3.86Å; L201-L402 WeakPolarHBondContact CD1-O 3.48Å; A398-L402 WeakPolarHBondContact O-CB 3.32Å; A398-L402 PolarHBondContact O-N 3.03Å; S399-L402 PolarHBondContact O-N 3.01Å; L400-L402 PolarHBondContact O-N 3.34Å; L402-E404 PolarHBondContact O-N 2.97Å; L402-G405 PolarHBondContact O-N 3.24Å; L402-L408 HydrophobicContact CB-CD1 4.15Å; L402-L408 HydrophobicContact CB-CD2 4.39Å; L402-L408 HydrophobicContact CB-CG 4.38Å; L402-L408 HydrophobicContact CD1-CD1 4.26Å; L402-L408 HydrophobicContact CD1-CG 4.11Å; L402-L408 HydrophobicContact CD2-CD1 4.38Å
403L89.9Confident90.9Very high1 Ų127.5 Ų27.51%0.00518%0.178CC..Hα-helixtrans-68.4-20.7174.6-68.4171.5000113F197 L201 L223 N226 M227 V335 S399 L400 G405F197-L403 HydrophobicContact CD1-CD2 3.95Å; F197-L403 HydrophobicContact CD1-CG 4.31Å; F197-L403 HydrophobicContact CE1-CD1 4.16Å; F197-L403 HydrophobicContact CE1-CD2 3.86Å; F197-L403 HydrophobicContact CE1-CG 3.88Å; L201-L403 HydrophobicContact CD2-CD2 4.18Å; L223-L403 HydrophobicContact CD1-CB 3.31Å; L223-L403 HydrophobicContact CD1-CD1 4.28Å; L223-L403 HydrophobicContact CD1-CG 4.4Å; N226-L403 PolarHBondContact ND2-O 3.01Å; M227-L403 HydrophobicContact SD-CD2 4.08Å; V335-L403 HydrophobicContact CG1-CD1 3.84Å; V335-L403 HydrophobicContact CG1-CD2 4.05Å; S399-L403 WeakPolarHBondContact O-CB 3.36Å; S399-L403 VanDerWaalsContact O-CG 3.25Å; S399-L403 WeakPolarHBondContact O-CG 3.43Å; S399-L403 PolarHBondContact O-N 2.93Å; L400-L403 CarbonylContact O-C 3.51Å; L400-L403 PolarHBondContact O-N 3.26Å; L400-L403 VanDerWaalsContact O-N 3.12Å; L403-G405 PolarHBondContact O-N 2.91Å
404E90.5Very high91.3Very high19 Ų1927.6 Ų27.69%0.08918%0.178CC..THydrogen-bonded Turntrans-77.4-4.4169.3-72.7172.2170.900113.3Q222 L223 L400 E401 L402 K406Q222-E404 HydrophobicContact CB-CB 4.5Å; Q222-E404 HydrophobicContact CB-CG 4.09Å; Q222-E404 HydrophobicContact CG-CB 3.89Å; Q222-E404 HydrophobicContact CG-CG 4.04Å; Q222-E404 PolarHBondContact NE2-O 3.5Å; L223-E404 HydrophobicContact CB-CG 4.03Å; L400-E404 VanDerWaalsContact O-CG 3.31Å; L400-E404 WeakPolarHBondContact O-CG 3.43Å; L400-E404 PolarHBondContact O-N 3.23Å; E401-E404 WeakPolarHBondContact O-CB 3.33Å; E401-E404 PolarHBondContact O-N 3.3Å; L402-E404 PolarHBondContact O-N 2.97Å; E404-K406 HydrophobicContact CB-CG 4.46Å; E404-K406 VanDerWaalsContact OE2-CE 3.31Å; E404-K406 WeakPolarHBondContact OE2-CE 3.42Å; E404-K406 IonicContact OE2-NZ 3.61Å; E404-K406 PolarHBondContact OE2-NZ 3.47Å
405G87.8Confident91.9Very high49 Ų4927 Ų2751%0.50518%0.176SC..THydrogen-bonded Turntrans83.913.1-179.800000114.3E401 L402 L403E401-G405 PolarHBondContact O-N 2.94Å; L402-G405 PolarHBondContact O-N 3.24Å; L403-G405 PolarHBondContact O-N 2.91Å
406K91.9Very high92.5Very high72 Ų7230.8 Ų30.831%0.31320%0.201SC..PPolyproline II helixtrans-77.7150.8177.3-61.9173.4178.6155.40111Q222 E401 E404Q222-K406 VanDerWaalsContact OE1-CE 3.25Å; E401-K406 HydrophobicContact CB-CB 4.32Å; E401-K406 HydrophobicContact CB-CD 3.97Å; E401-K406 HydrophobicContact CG-CD 3.97Å; E401-K406 VanDerWaalsContact O-CB 3.3Å; E401-K406 WeakPolarHBondContact O-CB 3.47Å; E401-K406 PolarHBondContact O-N 3.11Å; E404-K406 HydrophobicContact CB-CG 4.46Å; E404-K406 VanDerWaalsContact OE2-CE 3.31Å; E404-K406 WeakPolarHBondContact OE2-CE 3.42Å; E404-K406 IonicContact OE2-NZ 3.61Å; E404-K406 PolarHBondContact OE2-NZ 3.47Å
407V92.4Very high92.4Very high86 Ų8633.3 Ų33.352%0.52122%0.22SC..PPolyproline II helixtrans-80.7127.8168.9179.40000108.2M1 P409 D412M1-V407 HydrophobicContact CE-CG1 3.95Å; M1-V407 HydrophobicContact SD-CG1 4.08Å; V407-P409 WeakPolarHBondContact O-CD 3.24Å; V407-D412 HydrophobicContact CG1-CB 4.01Å
408L95.9Very high92.8Very high3 Ų333.1 Ų33.12%0.01621%0.212CC..PPolyproline II helixtrans-85.6117.3175.8-55.7-171.1000109.5F166 A169 H170 A398 E401 L402 G410 V411 D412F166-L408 HydrophobicContact CD2-CD1 4.45Å; F166-L408 HydrophobicContact CE2-CD1 3.63Å; F166-L408 HydrophobicContact CZ-CD1 4.05Å; A169-L408 HydrophobicContact CB-CB 4.44Å; A169-L408 HydrophobicContact CB-CD1 4.37Å; A169-L408 CarbonylContact O-C 3.43Å; H170-L408 HydrophobicContact CB-CD2 3.84Å; A398-L408 HydrophobicContact CB-CD1 4.32Å; E401-L408 HydrophobicContact CB-CD2 3.93Å; L402-L408 HydrophobicContact CB-CD1 4.15Å; L402-L408 HydrophobicContact CB-CD2 4.39Å; L402-L408 HydrophobicContact CB-CG 4.38Å; L402-L408 HydrophobicContact CD1-CD1 4.26Å; L402-L408 HydrophobicContact CD1-CG 4.11Å; L402-L408 HydrophobicContact CD2-CD1 4.38Å; L408-G410 VanDerWaalsContact C-N 3.29Å; L408-G410 PolarHBondContact O-N 2.9Å; L408-V411 HydrophobicContact CB-CB 4.05Å; L408-V411 HydrophobicContact CB-CG2 3.81Å; L408-V411 HydrophobicContact CD1-CG2 4Å; L408-V411 HydrophobicContact CG-CG2 4.44Å; L408-V411 PolarHBondContact O-N 3.37Å; L408-D412 PolarHBondContact O-N 3.4Å
409P97.4Very high92.9Very high38 Ų3834.8 Ų34.825%0.24722%0.223CC..Hα-helixtrans-54-40.9-176.2-28.435.1000114.4A169 H170 A172 V177 V407 V411 D412 A413A169-P409 WeakPolarHBondContact O-CD 3.21Å; H170-P409 WeakPolarHBondContact O-CD 3.48Å; A172-P409 HydrophobicContact CB-CB 4.01Å; A172-P409 HydrophobicContact CB-CG 4.16Å; V177-P409 HydrophobicContact CG1-CB 3.84Å; V407-P409 WeakPolarHBondContact O-CD 3.24Å; P409-V411 VanDerWaalsContact C-N 3.31Å; P409-V411 PolarHBondContact O-N 3Å; P409-D412 PolarHBondContact O-N 2.87Å; P409-A413 WeakPolarHBondContact O-CB 3.37Å; P409-A413 PolarHBondContact O-N 3.38Å
410G97.4Very high93.1Very high0 Ų036.8 Ų36.80%024%0.235CC..Hα-helixtrans-72-21.717900000114.2N163 A169 L408N163-G410 PolarHBondContact ND2-O 3.35Å; A169-G410 PolarHBondContact O-N 2.8Å; L408-G410 VanDerWaalsContact C-N 3.29Å; L408-G410 PolarHBondContact O-N 2.9Å
411V96.9Very high93.4Very high5 Ų536.8 Ų36.83%0.0324%0.238CC..Hα-helixtrans-81.3-41.6170.3176.60000109.9L3 K6 A169 M190 L194 L408 P409 A413 L414L3-V411 HydrophobicContact CD2-CG1 4.27Å; K6-V411 WeakPolarHBondContact CE-O 3.41Å; K6-V411 HydrophobicContact CG-CG1 4.26Å; K6-V411 PolarHBondContact NZ-O 3.17Å; K6-V411 VanDerWaalsContact NZ-O 3.16Å; A169-V411 HydrophobicContact CB-CG2 4.07Å; M190-V411 HydrophobicContact SD-CG2 4.26Å; L194-V411 HydrophobicContact CD1-CG1 4.5Å; L194-V411 HydrophobicContact CD2-CG1 3.69Å; L194-V411 HydrophobicContact CD2-CG2 3.93Å; L408-V411 HydrophobicContact CB-CB 4.05Å; L408-V411 HydrophobicContact CB-CG2 3.81Å; L408-V411 HydrophobicContact CD1-CG2 4Å; L408-V411 HydrophobicContact CG-CG2 4.44Å; L408-V411 PolarHBondContact O-N 3.37Å; P409-V411 VanDerWaalsContact C-N 3.31Å; P409-V411 PolarHBondContact O-N 3Å; V411-A413 VanDerWaalsContact C-N 3.3Å; V411-A413 PolarHBondContact O-N 3.31Å; V411-L414 WeakPolarHBondContact O-CB 3.35Å; V411-L414 PolarHBondContact O-N 3.43Å
412D97.3Very high93.6Very high78 Ų7835.8 Ų35.842%0.41724%0.237SC..Hα-helixtrans-59-43.2177.3-174.824.8000111.8M1 K6 V407 L408 P409 L414M1-D412 HydrophobicContact CE-CB 3.89Å; M1-D412 WeakPolarHBondContact CE-OD1 3.31Å; M1-D412 HydrophobicContact SD-CB 3.8Å; K6-D412 PolarHBondContact NZ-O 2.69Å; V407-D412 HydrophobicContact CG1-CB 4.01Å; L408-D412 PolarHBondContact O-N 3.4Å; P409-D412 PolarHBondContact O-N 2.87Å; D412-L414 PolarHBondContact O-N 2.99Å
413A97.5Very high93.8Very high24 Ų2437.6 Ų37.620%0.19825%0.25CS..THydrogen-bonded Turntrans-62-14.8178.700000115V177 K184 P409 V411V177-A413 HydrophobicContact CB-CB 4.31Å; V177-A413 HydrophobicContact CG1-CB 4.19Å; K184-A413 WeakPolarHBondContact CD-O 3.45Å; K184-A413 WeakPolarHBondContact CE-O 3.48Å; P409-A413 WeakPolarHBondContact O-CB 3.37Å; P409-A413 PolarHBondContact O-N 3.38Å; V411-A413 VanDerWaalsContact C-N 3.3Å; V411-A413 PolarHBondContact O-N 3.31Å
414L98.1Very high94Very high6 Ų640.2 Ų40.23%0.03127%0.268CS..SBendtrans-69.8142.7174.2-64.3176.5000111.5K6 N163 K184 A186 M190 L194 V411 D412K6-L414 HydrophobicContact CB-CB 4.36Å; K6-L414 HydrophobicContact CB-CD1 4.26Å; K6-L414 HydrophobicContact CD-CB 3.99Å; K6-L414 HydrophobicContact CG-CB 4.37Å; K6-L414 HydrophobicContact CG-CD1 4.45Å; K6-L414 PolarHBondContact NZ-O 3.1Å; N163-L414 HydrophobicContact CB-CD2 3.94Å; K184-L414 HydrophobicContact CB-CD2 4.44Å; A186-L414 HydrophobicContact CB-CD1 3.9Å; M190-L414 HydrophobicContact CG-CD1 4.39Å; L194-L414 HydrophobicContact CD1-CD1 4.42Å; V411-L414 WeakPolarHBondContact O-CB 3.35Å; V411-L414 PolarHBondContact O-N 3.43Å; D412-L414 PolarHBondContact O-N 2.99Å
415S97.8Very high94.3Very high25 Ų2541.8 Ų41.818%0.17528%0.281CS..PPolyproline II helixtrans-60.7151173.3-580000110.5L7 P182 K184L7-S415 WeakPolarHBondContact CB-O 3.48Å; L7-S415 PolarHBondContact N-O 2.76Å; P182-S415 PolarHBondContact O-OG 3.2Å; K184-S415 PolarHBondContact N-OG 3.28Å; K184-S415 VanDerWaalsContact N-OG 3.11Å; K184-S415 PolarHBondContact O-N 3.23Å
416S93.4Very high94.9Very high81 Ų8141.3 Ų41.357%0.56626%0.263SS*.BIsolated β-bridgetrans-71.8150169.4-58.30000110.7N5N5-S416 WeakPolarHBondContact O-CA 3.22Å
417A82.3Confident95.1Very high77 Ų7738.5 Ų38.564%0.63626%0.258SS*.  trans-75.30178.600000114N5N5-A417 PolarHBondContact O-N 3.27Å

Retrieved 417 of 417 residues in 131.9 ms (Link to these results)

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