A0A077ZG63_TRITR Loading...

LysM and Helicase C and Cytidylate kin domain con taining protein

AlphaFold DB , UniProt , Accession A0A077ZG63, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 659 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
1M83.1Confident88.9Confident149 Ų14964.5 Ų64.573%0.73435%0.346SS*.  0132.50-177.5-176.8-69.400106.9M5 F6 V11 L15M1-M5 HydrophobicContact CG-CB 4.04Å; M1-M5 HydrophobicContact CG-CG 3.98Å; M1-M5 HydrophobicContact CG-SD 4.03Å; M1-F6 HydrophobicContact CG-CB 4.27Å; M1-F6 HydrophobicContact SD-CB 3.79Å; M1-F6 HydrophobicContact SD-CD2 4.06Å; M1-F6 HydrophobicContact SD-CG 4.45Å; M1-V11 HydrophobicContact CE-CG1 3.91Å; M1-V11 HydrophobicContact SD-CG1 3.9Å; M1-L15 HydrophobicContact CE-CD1 4.49Å; M1-L15 HydrophobicContact SD-CD1 4.39Å
2S84.5Confident89.2Confident47 Ų4760.2 Ų60.233%0.32932%0.322SS..  trans-78.5159.1177.582.70000111E4 M5 F6S2-E4 WeakPolarHBondContact CB-OE2 3.45Å; S2-E4 PolarHBondContact O-N 3.41Å; S2-E4 PolarHBondContact OG-OE2 2.89Å; S2-M5 PolarHBondContact O-N 2.91Å; S2-M5 PolarHBondContact OG-N 3.24Å; S2-F6 WeakPolarHBondContact O-CB 3.31Å; S2-F6 PolarHBondContact O-N 3.01Å
3P84.9Confident89.5Confident12 Ų1265.6 Ų65.68%0.07834%0.341CS..Hα-helixtrans-56.1-38.2174.6-25.234000113.3F6 L7 E41 Y42 I45P3-F6 PolarHBondContact O-N 3.05Å; P3-L7 WeakPolarHBondContact O-CB 3.42Å; P3-L7 VanDerWaalsContact O-CG 3.25Å; P3-L7 WeakPolarHBondContact O-CG 3.44Å; P3-L7 PolarHBondContact O-N 3.37Å; P3-E41 HydrophobicContact CB-CB 3.64Å; P3-Y42 HydrophobicContact CB-CD2 4.43Å; P3-Y42 HydrophobicContact CG-CD2 3.75Å; P3-Y42 HydrophobicContact CG-CE1 4.43Å; P3-Y42 HydrophobicContact CG-CE2 3.41Å; P3-Y42 VanDerWaalsContact CG-CE2 3.41Å; P3-Y42 HydrophobicContact CG-CG 4.39Å; P3-I45 HydrophobicContact CB-CD1 4.31Å; P3-I45 HydrophobicContact CG-CD1 4.4Å
4E84.8Confident89.7Confident64 Ų6465.6 Ų65.630%0.29936%0.356SS..Hα-helixtrans-61.3-48.1178.5-56.373.1-167.300110.9S2 L7 S8 R39 E41S2-E4 WeakPolarHBondContact CB-OE2 3.45Å; S2-E4 PolarHBondContact O-N 3.41Å; S2-E4 PolarHBondContact OG-OE2 2.89Å; E4-L7 PolarHBondContact O-N 3.46Å; E4-S8 PolarHBondContact O-N 3.45Å; E4-R39 IonicContact OE1-NH1 3.3Å; E4-E41 HydrophobicContact CG-CG 3.87Å; E4-E41 WeakPolarHBondContact CG-OE1 3.42Å
5M89.7Confident90Very high107 Ų10763.4 Ų63.453%0.52734%0.343SS..Hα-helixtrans-67.6-39.4177.8-177.9179.4-72.300111.4M1 S2 L7 S8 V11M1-M5 HydrophobicContact CG-CB 4.04Å; M1-M5 HydrophobicContact CG-CG 3.98Å; M1-M5 HydrophobicContact CG-SD 4.03Å; S2-M5 PolarHBondContact O-N 2.91Å; S2-M5 PolarHBondContact OG-N 3.24Å; M5-L7 VanDerWaalsContact C-N 3.26Å; M5-L7 PolarHBondContact O-N 2.98Å; M5-S8 PolarHBondContact O-N 3.33Å; M5-S8 PolarHBondContact O-OG 3.2Å; M5-V11 HydrophobicContact CG-CG2 4.13Å; M5-V11 WeakPolarHBondContact O-CB 3.47Å; M5-V11 WeakPolarHBondContact O-CG2 3.31Å
6F92.1Very high90.1Very high20 Ų2065.8 Ų65.89%0.08835%0.351CS..Hα-helixtrans-58.9-40.2176.4172.7-108.4000111.5M1 S2 P3 S8 Q12 L15 I23 I45 T49 I52M1-F6 HydrophobicContact CG-CB 4.27Å; M1-F6 HydrophobicContact SD-CB 3.79Å; M1-F6 HydrophobicContact SD-CD2 4.06Å; M1-F6 HydrophobicContact SD-CG 4.45Å; S2-F6 WeakPolarHBondContact O-CB 3.31Å; S2-F6 PolarHBondContact O-N 3.01Å; P3-F6 PolarHBondContact O-N 3.05Å; F6-S8 VanDerWaalsContact C-N 3.32Å; F6-S8 PolarHBondContact O-N 3.34Å; F6-Q12 VanDerWaalsContact O-CG 3.3Å; F6-Q12 WeakPolarHBondContact O-CG 3.49Å; F6-Q12 PolarHBondContact O-NE2 3.37Å; F6-L15 HydrophobicContact CD2-CD1 3.71Å; F6-L15 HydrophobicContact CE2-CD1 3.76Å; F6-I23 HydrophobicContact CE2-CD1 4.48Å; F6-I23 HydrophobicContact CZ-CD1 4.5Å; F6-I45 HydrophobicContact CE1-CG2 4.36Å; F6-T49 HydrophobicContact CE1-CG2 4.48Å; F6-T49 HydrophobicContact CZ-CG2 4.1Å; F6-I52 HydrophobicContact CE2-CD1 3.67Å; F6-I52 HydrophobicContact CZ-CD1 3.78Å
7L90.5Very high90.2Very high46 Ų4667.4 Ų67.424%0.24138%0.376CS..THydrogen-bonded Turntrans-82.4-3.6-177.1-66.3169.6000114.3P3 E4 M5 E41 K44P3-L7 WeakPolarHBondContact O-CB 3.42Å; P3-L7 VanDerWaalsContact O-CG 3.25Å; P3-L7 WeakPolarHBondContact O-CG 3.44Å; P3-L7 PolarHBondContact O-N 3.37Å; E4-L7 PolarHBondContact O-N 3.46Å; M5-L7 VanDerWaalsContact C-N 3.26Å; M5-L7 PolarHBondContact O-N 2.98Å; L7-E41 HydrophobicContact CD1-CB 3.86Å; L7-E41 HydrophobicContact CD1-CG 4.39Å; L7-E41 WeakPolarHBondContact CD1-O 3.48Å; L7-K44 HydrophobicContact CD1-CB 3.68Å; L7-K44 HydrophobicContact CD2-CB 4.01Å
8S92Very high90.2Very high35 Ų3566.2 Ų66.225%0.24538%0.376CS..SBendtrans-67.6146.4178.285.40000111.3E4 M5 F6 E10 V11 Q12E4-S8 PolarHBondContact O-N 3.45Å; M5-S8 PolarHBondContact O-N 3.33Å; M5-S8 PolarHBondContact O-OG 3.2Å; F6-S8 VanDerWaalsContact C-N 3.32Å; F6-S8 PolarHBondContact O-N 3.34Å; S8-E10 VanDerWaalsContact C-N 3.3Å; S8-E10 PolarHBondContact O-N 2.98Å; S8-V11 PolarHBondContact O-N 2.98Å; S8-V11 WeakPolarHBondContact OG-CB 3.39Å; S8-V11 WeakPolarHBondContact OG-CG2 3.3Å; S8-V11 PolarHBondContact OG-N 3.15Å; S8-Q12 WeakPolarHBondContact O-CB 3.35Å; S8-Q12 VanDerWaalsContact O-CG 3.24Å; S8-Q12 WeakPolarHBondContact O-CG 3.23Å; S8-Q12 PolarHBondContact O-N 3.11Å
9S91Very high89.9Confident63 Ų6376.1 Ų76.144%0.44141%0.406SS..Hα-helixtrans-65.2-35.1-172.885.80000112.5K13S9-K13 WeakPolarHBondContact O-CB 3.39Å; S9-K13 WeakPolarHBondContact O-CD 3.37Å; S9-K13 VanDerWaalsContact O-CG 3.25Å; S9-K13 WeakPolarHBondContact O-CG 3.36Å; S9-K13 PolarHBondContact O-N 3.34Å; S9-K13 VanDerWaalsContact O-N 3.13Å
10E91.8Very high90Very high134 Ų13475.2 Ų75.263%0.62640%0.401SS*.Hα-helixtrans-68.1-45.6178.7-59.876.7-159.600110.8S8 K13 A14S8-E10 VanDerWaalsContact C-N 3.3Å; S8-E10 PolarHBondContact O-N 2.98Å; E10-K13 PolarHBondContact O-N 3.23Å; E10-A14 PolarHBondContact O-N 2.85Å
11V93.3Very high90.1Very high33 Ų3375.9 Ų75.920%0.242%0.417CS..Hα-helixtrans-68.3-44.7-179.8173.30000110.4M1 M5 S8 K13 A14 L15M1-V11 HydrophobicContact CE-CG1 3.91Å; M1-V11 HydrophobicContact SD-CG1 3.9Å; M5-V11 HydrophobicContact CG-CG2 4.13Å; M5-V11 WeakPolarHBondContact O-CB 3.47Å; M5-V11 WeakPolarHBondContact O-CG2 3.31Å; S8-V11 PolarHBondContact O-N 2.98Å; S8-V11 WeakPolarHBondContact OG-CB 3.39Å; S8-V11 WeakPolarHBondContact OG-CG2 3.3Å; S8-V11 PolarHBondContact OG-N 3.15Å; V11-K13 VanDerWaalsContact C-N 3.34Å; V11-K13 PolarHBondContact O-N 2.91Å; V11-A14 PolarHBondContact O-N 3.44Å; V11-L15 HydrophobicContact CG1-CD1 3.71Å; V11-L15 HydrophobicContact CG1-CG 4.05Å; V11-L15 WeakPolarHBondContact O-CB 3.39Å; V11-L15 VanDerWaalsContact O-CG 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.48Å
12Q93.3Very high90.6Very high12 Ų1272.7 Ų72.76%0.05640%0.403CS..Hα-helixtrans-56.8-44.6175.9-75.7-74.5-40.500112.1F6 S8 L15 Q16 G48 F51 I52F6-Q12 VanDerWaalsContact O-CG 3.3Å; F6-Q12 WeakPolarHBondContact O-CG 3.49Å; F6-Q12 PolarHBondContact O-NE2 3.37Å; S8-Q12 WeakPolarHBondContact O-CB 3.35Å; S8-Q12 VanDerWaalsContact O-CG 3.24Å; S8-Q12 WeakPolarHBondContact O-CG 3.23Å; S8-Q12 PolarHBondContact O-N 3.11Å; Q12-L15 PolarHBondContact O-N 3.24Å; Q12-Q16 VanDerWaalsContact O-CB 3.24Å; Q12-Q16 WeakPolarHBondContact O-CB 3.49Å; Q12-Q16 PolarHBondContact O-N 3.37Å; Q12-G48 PolarHBondContact OE1-O 3.42Å; Q12-G48 VanDerWaalsContact OE1-O 3.09Å; Q12-F51 HydrophobicContact CB-CD1 3.78Å; Q12-F51 HydrophobicContact CB-CE1 3.76Å; Q12-F51 HydrophobicContact CG-CD1 4.37Å; Q12-I52 WeakPolarHBondContact O-CG2 3.2Å; Q12-I52 VanDerWaalsContact OE1-CG2 3.23Å
13K92.1Very high91Very high131 Ų13171.6 Ų71.657%0.5739%0.393SS*.Hα-helixtrans-64.5-41.4176.4-73.8168.4-178.9167.30112.3S9 E10 V11 Q16 A17S9-K13 WeakPolarHBondContact O-CB 3.39Å; S9-K13 WeakPolarHBondContact O-CD 3.37Å; S9-K13 VanDerWaalsContact O-CG 3.25Å; S9-K13 WeakPolarHBondContact O-CG 3.36Å; S9-K13 PolarHBondContact O-N 3.34Å; S9-K13 VanDerWaalsContact O-N 3.13Å; E10-K13 PolarHBondContact O-N 3.23Å; V11-K13 VanDerWaalsContact C-N 3.34Å; V11-K13 PolarHBondContact O-N 2.91Å; K13-Q16 PolarHBondContact O-N 3.41Å; K13-A17 PolarHBondContact O-N 2.89Å; K13-A17 VanDerWaalsContact O-N 3.13Å
14A92.9Very high91.5Very high66 Ų6674.6 Ų74.655%0.54541%0.411SS..Hα-helixtrans-65-43.6176.900000111.9E10 V11 A17 A18E10-A14 PolarHBondContact O-N 2.85Å; V11-A14 PolarHBondContact O-N 3.44Å; A14-A17 PolarHBondContact O-N 3.32Å; A14-A18 PolarHBondContact O-N 2.97Å; A14-A18 VanDerWaalsContact O-N 3.14Å
15L93.5Very high91.8Very high32 Ų3272 Ų7217%0.16840%0.399CS..Hα-helixtrans-66.7-36.4176.8-71.8179.2000112.3M1 F6 V11 Q12 A17 A18 L20 I52M1-L15 HydrophobicContact CE-CD1 4.49Å; M1-L15 HydrophobicContact SD-CD1 4.39Å; F6-L15 HydrophobicContact CD2-CD1 3.71Å; F6-L15 HydrophobicContact CE2-CD1 3.76Å; V11-L15 HydrophobicContact CG1-CD1 3.71Å; V11-L15 HydrophobicContact CG1-CG 4.05Å; V11-L15 WeakPolarHBondContact O-CB 3.39Å; V11-L15 VanDerWaalsContact O-CG 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.48Å; Q12-L15 PolarHBondContact O-N 3.24Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-A18 WeakPolarHBondContact O-CB 3.37Å; L15-A18 PolarHBondContact O-N 3.35Å; L15-A18 VanDerWaalsContact O-N 3.16Å; L15-L20 HydrophobicContact CB-CD1 4.09Å; L15-L20 HydrophobicContact CD2-CD1 4.13Å; L15-L20 HydrophobicContact CD2-CD2 4.32Å; L15-I52 HydrophobicContact CB-CB 4.44Å; L15-I52 HydrophobicContact CB-CG2 3.82Å
16Q92Very high91.8Very high102 Ų10271.3 Ų71.348%0.47740%0.398SS..Hα-helixtrans-65.5-35.7175.2-174.2179.854.800112.3Q12 K13 A18 F51 I52Q12-Q16 VanDerWaalsContact O-CB 3.24Å; Q12-Q16 WeakPolarHBondContact O-CB 3.49Å; Q12-Q16 PolarHBondContact O-N 3.37Å; K13-Q16 PolarHBondContact O-N 3.41Å; Q16-A18 VanDerWaalsContact C-N 3.28Å; Q16-F51 PolarHBondContact NE2-O 2.73Å; Q16-I52 HydrophobicContact CB-CB 4.39Å; Q16-I52 HydrophobicContact CB-CG2 4.22Å
17A91.6Very high91.2Very high93 Ų9373 Ų7377%0.76941%0.406SS*.Hα-helixtrans-73.9-21.9173.900000112.5K13 A14 L15K13-A17 PolarHBondContact O-N 2.89Å; K13-A17 VanDerWaalsContact O-N 3.13Å; A14-A17 PolarHBondContact O-N 3.32Å; L15-A17 VanDerWaalsContact C-N 3.34Å
18A90.5Very high91.1Very high45 Ų4570.9 Ų70.937%0.37240%0.395SS..SBendtrans-80.8137.217500000111.1A14 L15 Q16 L20A14-A18 PolarHBondContact O-N 2.97Å; A14-A18 VanDerWaalsContact O-N 3.14Å; L15-A18 WeakPolarHBondContact O-CB 3.37Å; L15-A18 PolarHBondContact O-N 3.35Å; L15-A18 VanDerWaalsContact O-N 3.16Å; Q16-A18 VanDerWaalsContact C-N 3.28Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 HydrophobicContact CB-CD2 4.17Å; A18-L20 HydrophobicContact CB-CG 4.35Å; A18-L20 PolarHBondContact O-N 2.98Å
19R85.5Confident90.5Very high254 Ų25469.4 Ų69.496%0.95838%0.384SS*.  trans-79.583.1172.2-172.1-179.9176.5179.7-1.1110
20L91.2Very high89.9Confident59 Ų5967.1 Ų67.131%0.30937%0.368SS..  trans-74.8130.4179.7-60.7175.9000111.4L15 A18 I52 P55L15-L20 HydrophobicContact CB-CD1 4.09Å; L15-L20 HydrophobicContact CD2-CD1 4.13Å; L15-L20 HydrophobicContact CD2-CD2 4.32Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 HydrophobicContact CB-CD2 4.17Å; A18-L20 HydrophobicContact CB-CG 4.35Å; A18-L20 PolarHBondContact O-N 2.98Å; L20-I52 HydrophobicContact CD1-CD1 3.87Å; L20-I52 HydrophobicContact CD1-CG1 4.49Å; L20-P55 HydrophobicContact CB-CB 4.17Å; L20-P55 HydrophobicContact CB-CG 4.28Å
21A92.6Very high89.3Confident89 Ų8960.8 Ų60.874%0.73634%0.339SS*.  trans-89.6-35175.500000112.7
22L93.8Very high88.4Confident83 Ų8360 Ų6044%0.43533%0.334SS..EExtended strand (participates in β ladder)trans-150.3141.7-172.2178.365.8000110.6V24 L56 L58L22-V24 HydrophobicContact CD2-CG2 3.86Å; L22-V24 HydrophobicContact CG-CG2 4.03Å; L22-L56 CarbonylContact C-O 3.39Å; L22-L56 WeakPolarHBondContact CA-O 3.48Å; L22-L56 HydrophobicContact CD1-CB 4.31Å; L22-L56 HydrophobicContact CD1-CD2 4.13Å; L22-L56 HydrophobicContact CD1-CG 4.01Å; L22-L58 HydrophobicContact CD1-CB 3.93Å
23I92.3Very high86.6Confident24 Ų2460.9 Ų60.912%0.12334%0.338CS..EExtended strand (participates in β ladder)trans-117.2129164.6-65.8178.3000108.2F6 V25 T49 I52 P55 L56 V57 L58F6-I23 HydrophobicContact CE2-CD1 4.48Å; F6-I23 HydrophobicContact CZ-CD1 4.5Å; I23-V25 HydrophobicContact CG2-CG2 4.28Å; I23-T49 HydrophobicContact CD1-CG2 3.83Å; I23-T49 HydrophobicContact CG2-CG2 4.39Å; I23-I52 HydrophobicContact CD1-CD1 3.37Å; I23-I52 HydrophobicContact CD1-CG1 4.33Å; I23-P55 HydrophobicContact CD1-CG 3.36Å; I23-P55 HydrophobicContact CG1-CG 3.72Å; I23-L56 PolarHBondContact N-O 2.7Å; I23-V57 CarbonylContact O-C 3.39Å; I23-V57 WeakPolarHBondContact O-CA 3.18Å; I23-L58 PolarHBondContact O-N 2.99Å
24V94.5Very high84.9Confident74 Ų7458.1 Ų58.145%0.44833%0.325SS..EExtended strand (participates in β ladder)trans-105.7117.7173.9-175.10000108.4L22 L58 L60L22-V24 HydrophobicContact CD2-CG2 3.86Å; L22-V24 HydrophobicContact CG-CG2 4.03Å; V24-L58 CarbonylContact C-O 3.47Å; V24-L58 WeakPolarHBondContact CA-O 3.31Å; V24-L58 HydrophobicContact CG2-CB 4.46Å; V24-L58 HydrophobicContact CG2-CD2 4.36Å; V24-L60 HydrophobicContact CG1-CD1 3.59Å; V24-L60 HydrophobicContact CG1-CG 4.07Å
25V91.7Very high82.6Confident9 Ų955 Ų556%0.05530%0.299CS..EExtended strand (participates in β ladder)trans-96.595170.6-175.40000107.2I23 A28 I31 Y42 I45 V57 L58 A59 L60 L76I23-V25 HydrophobicContact CG2-CG2 4.28Å; V25-A28 HydrophobicContact CG1-CB 4.41Å; V25-I31 HydrophobicContact CG1-CD1 4.35Å; V25-Y42 HydrophobicContact CG1-CE1 4.18Å; V25-I45 HydrophobicContact CG1-CD1 4.21Å; V25-I45 HydrophobicContact CG2-CG2 3.96Å; V25-V57 HydrophobicContact CG2-CG1 4.05Å; V25-L58 PolarHBondContact N-O 3.3Å; V25-A59 WeakPolarHBondContact O-CA 3.48Å; V25-L60 PolarHBondContact O-N 3.41Å; V25-L76 HydrophobicContact CB-CD2 4.17Å; V25-L76 HydrophobicContact CG1-CD2 4.38Å; V25-L76 HydrophobicContact CG2-CD1 4.32Å; V25-L76 HydrophobicContact CG2-CD2 4.06Å
26D88.7Confident80.5Confident94 Ų9454.1 Ų54.150%0.50329%0.294SS..THydrogen-bonded Turntrans-77.5154.8175.7-152.6-1.5000111A28D26-A28 VanDerWaalsContact C-N 3.26Å; D26-A28 PolarHBondContact O-N 3.42Å
27E79.9Confident78.4Confident56 Ų5650.2 Ų50.226%0.26228%0.277SS..THydrogen-bonded Turntrans5044.3-173.7-54.3-65.5-17200113H29 C30 L60E27-H29 PolarHBondContact O-N 2.78Å; E27-H29 IonicContact OE2-CE1 4Å; E27-H29 PolarHBondContact OE2-CE1 2.92Å; E27-H29 IonicContact OE2-ND1 3.43Å; E27-C30 VanDerWaalsContact O-CB 3.22Å; E27-C30 WeakPolarHBondContact O-CB 3.12Å; E27-C30 PolarHBondContact O-N 3.05Å; E27-C30 PolarHBondContact O-SG 2.7Å; E27-C30 VanDerWaalsContact O-SG 3.33Å; E27-L60 PolarHBondContact N-O 3.44Å; E27-L60 VanDerWaalsContact N-O 3.12Å
28A88.9Confident76.5Confident0 Ų051 Ų510%026%0.263CS..THydrogen-bonded Turntrans-59.6-19.7-171.800000114.3V25 D26 C30 I31 A59 L60 I72V25-A28 HydrophobicContact CG1-CB 4.41Å; D26-A28 VanDerWaalsContact C-N 3.26Å; D26-A28 PolarHBondContact O-N 3.42Å; A28-C30 PolarHBondContact O-N 3.48Å; A28-C30 VanDerWaalsContact O-N 3.14Å; A28-I31 WeakPolarHBondContact O-CB 3.42Å; A28-I31 WeakPolarHBondContact O-CG1 3.18Å; A28-I31 PolarHBondContact O-N 2.82Å; A28-A59 HydrophobicContact CB-CB 3.8Å; A28-L60 WeakPolarHBondContact CB-O 3.33Å; A28-L60 PolarHBondContact N-O 2.79Å; A28-I72 HydrophobicContact CB-CD1 3.95Å; A28-I72 HydrophobicContact CB-CG1 4.39Å; A28-I72 HydrophobicContact CB-CG2 4.44Å; A28-I72 WeakPolarHBondContact O-CG1 3.48Å
29H79.9Confident75.1Confident5 Ų551.7 Ų51.72%0.02326%0.256CS..THydrogen-bonded Turntrans-57.4-24.417163.7-100.1000112.4E27 I31 S32 Q33 T61 V68E27-H29 PolarHBondContact O-N 2.78Å; E27-H29 IonicContact OE2-CE1 4Å; E27-H29 PolarHBondContact OE2-CE1 2.92Å; E27-H29 IonicContact OE2-ND1 3.43Å; H29-I31 PolarHBondContact O-N 3.07Å; H29-I31 VanDerWaalsContact O-N 3.12Å; H29-S32 PolarHBondContact O-N 3.24Å; H29-Q33 PolarHBondContact CD2-OE1 3.3Å; H29-Q33 PolarHBondContact O-N 3.37Å; H29-T61 WeakPolarHBondContact CB-OG1 3.27Å; H29-T61 PolarHBondContact ND1-OG1 3.24Å; H29-V68 HydrophobicContact CB-CG1 3.77Å
30C77.1Confident74.3Confident14 Ų1439.7 Ų39.710%0.09521%0.21CC..Hα-helixtrans-56.7-25.5173.6-720000113E27 A28 S32 W34 G35 Y42E27-C30 VanDerWaalsContact O-CB 3.22Å; E27-C30 WeakPolarHBondContact O-CB 3.12Å; E27-C30 PolarHBondContact O-N 3.05Å; E27-C30 PolarHBondContact O-SG 2.7Å; E27-C30 VanDerWaalsContact O-SG 3.33Å; A28-C30 PolarHBondContact O-N 3.48Å; A28-C30 VanDerWaalsContact O-N 3.14Å; C30-S32 VanDerWaalsContact C-N 3.28Å; C30-S32 PolarHBondContact O-N 2.71Å; C30-W34 HydrophobicContact CB-CB 4.41Å; C30-W34 CarbonylContact O-C 3.55Å; C30-W34 PolarHBondContact O-N 3.23Å; C30-G35 WeakPolarHBondContact O-CA 3.47Å; C30-G35 PolarHBondContact O-N 3.04Å; C30-Y42 HydrophobicContact CB-CD1 3.92Å; C30-Y42 HydrophobicContact CB-CD2 3.88Å; C30-Y42 HydrophobicContact CB-CE1 3.76Å; C30-Y42 HydrophobicContact CB-CE2 3.71Å; C30-Y42 HydrophobicContact CB-CG 3.98Å
31I80.1Confident73.6Confident2 Ų237 Ų371%0.0120%0.196CC..Hα-helixtrans-64.2-35175.9-60.3175.6000111.5V25 A28 H29 Y42 L43 L75 L76V25-I31 HydrophobicContact CG1-CD1 4.35Å; A28-I31 WeakPolarHBondContact O-CB 3.42Å; A28-I31 WeakPolarHBondContact O-CG1 3.18Å; A28-I31 PolarHBondContact O-N 2.82Å; H29-I31 PolarHBondContact O-N 3.07Å; H29-I31 VanDerWaalsContact O-N 3.12Å; I31-Y42 HydrophobicContact CD1-CD1 4.46Å; I31-Y42 HydrophobicContact CG1-CD1 3.6Å; I31-Y42 HydrophobicContact CG1-CG 4.25Å; I31-L43 HydrophobicContact CG2-CD2 4.38Å; I31-L75 HydrophobicContact CG2-CB 3.62Å; I31-L75 HydrophobicContact CG2-CD1 3.76Å; I31-L75 HydrophobicContact CG2-CG 4.35Å; I31-L76 HydrophobicContact CD1-CB 3.85Å; I31-L76 HydrophobicContact CD1-CD1 4.09Å; I31-L76 HydrophobicContact CD1-CD2 3.77Å; I31-L76 HydrophobicContact CD1-CG 4.11Å
32S73.7Confident73Confident16 Ų1634 Ų3411%0.11217%0.166CC..Hα-helixtrans-95.2-50.9-179.3178.40000112.2H29 C30 D71H29-S32 PolarHBondContact O-N 3.24Å; C30-S32 VanDerWaalsContact C-N 3.28Å; C30-S32 PolarHBondContact O-N 2.71Å; S32-D71 PolarHBondContact OG-OD2 2.85Å
33Q57Low72.3Confident30 Ų3030.8 Ų30.814%0.1415%0.149CC..Hα-helixtrans-78.2-42-170.7-71.3179.5-14.300113.6H29 V68H29-Q33 PolarHBondContact CD2-OE1 3.3Å; H29-Q33 PolarHBondContact O-N 3.37Å; Q33-V68 HydrophobicContact CG-CG2 4.13Å
34W55.6Low72.1Confident74 Ų7431.7 Ų31.728%0.2815%0.152SC..THydrogen-bonded Turntrans-112.5-16.2-170.4-63.897.9000113.2C30 I36 D37 F38 R39C30-W34 HydrophobicContact CB-CB 4.41Å; C30-W34 CarbonylContact O-C 3.55Å; C30-W34 PolarHBondContact O-N 3.23Å; W34-I36 PolarHBondContact O-N 3.35Å; W34-D37 PolarHBondContact O-N 2.91Å; W34-F38 HydrophobicContact CB-CB 4.23Å; W34-F38 HydrophobicContact CD2-CB 4.34Å; W34-F38 HydrophobicContact CD2-CD1 4.28Å; W34-F38 HydrophobicContact CE3-CB 3.43Å; W34-F38 VanDerWaalsContact CE3-CB 3.43Å; W34-F38 AromaticContact CE3-CD1 3.68Å; W34-F38 HydrophobicContact CE3-CD1 3.68Å; W34-F38 HydrophobicContact CE3-CD2 4.43Å; W34-F38 AromaticContact CE3-CG 3.63Å; W34-F38 HydrophobicContact CE3-CG 3.63Å; W34-F38 HydrophobicContact CZ3-CB 4.15Å; W34-F38 HydrophobicContact CZ3-CD1 4.11Å; W34-F38 HydrophobicContact CZ3-CD2 4.38Å; W34-F38 AromaticContact CZ3-CG 3.99Å; W34-F38 HydrophobicContact CZ3-CG 3.99Å; W34-F38 PolarHBondContact O-N 3.38Å; W34-R39 PolarHBondContact O-N 3.15Å
35G44.8Very low71.8Confident0 Ų028.7 Ų28.70%013%0.134CC..THydrogen-bonded Turntrans-65.3-10.1-172.400000114C30 P40 L43C30-G35 WeakPolarHBondContact O-CA 3.47Å; C30-G35 PolarHBondContact O-N 3.04Å; G35-P40 VanDerWaalsContact O-CA 3.26Å; G35-P40 WeakPolarHBondContact O-CA 3.35Å; G35-L43 WeakPolarHBondContact O-CD1 3.22Å; G35-L43 WeakPolarHBondContact O-CG 3.44Å
36I49Very low71.7Confident13 Ų1328.8 Ų28.87%0.06714%0.136CC..THydrogen-bonded Turntrans-105-39.7175.3-51.5177.5000110.7W34 W259 L270 L273 L274W34-I36 PolarHBondContact O-N 3.35Å; I36-W259 PolarHBondContact O-NE1 2.78Å; I36-L270 HydrophobicContact CG2-CD1 3.87Å; I36-L273 HydrophobicContact CD1-CB 3.97Å; I36-L274 HydrophobicContact CB-CD2 4.44Å; I36-L274 HydrophobicContact CG2-CD1 4.42Å; I36-L274 HydrophobicContact CG2-CD2 3.24Å; I36-L274 HydrophobicContact CG2-CG 3.47Å; I36-L274 VanDerWaalsContact CG2-CG 3.47Å
37D48.7Very low71.7Confident21 Ų2127.4 Ų27.411%0.11213%0.128CC..THydrogen-bonded Turntrans-105.6-12-168-65.8-16.7000115.2W34 K237 L255 R277W34-D37 PolarHBondContact O-N 2.91Å; D37-K237 WeakPolarHBondContact OD1-CE 3.33Å; D37-K237 IonicContact OD1-NZ 3.64Å; D37-K237 PolarHBondContact OD1-NZ 3.16Å; D37-K237 VanDerWaalsContact OD2-CE 3.25Å; D37-K237 WeakPolarHBondContact OD2-CE 3.45Å; D37-K237 IonicContact OD2-NZ 3.9Å; D37-K237 PolarHBondContact OD2-NZ 2.9Å; D37-L255 WeakPolarHBondContact O-CD1 3.12Å; D37-R277 IonicContact OD2-CZ 3.65Å; D37-R277 IonicContact OD2-NH1 2.97Å; D37-R277 PolarHBondContact OD2-NH1 3.35Å
38F50.2Low72.3Confident108 Ų10825 Ų2547%0.47412%0.118SC..THydrogen-bonded Turntrans-144-38.1-171-169.1-113.7000114.1W34 K258W34-F38 HydrophobicContact CB-CB 4.23Å; W34-F38 HydrophobicContact CD2-CB 4.34Å; W34-F38 HydrophobicContact CD2-CD1 4.28Å; W34-F38 HydrophobicContact CE3-CB 3.43Å; W34-F38 VanDerWaalsContact CE3-CB 3.43Å; W34-F38 AromaticContact CE3-CD1 3.68Å; W34-F38 HydrophobicContact CE3-CD1 3.68Å; W34-F38 HydrophobicContact CE3-CD2 4.43Å; W34-F38 AromaticContact CE3-CG 3.63Å; W34-F38 HydrophobicContact CE3-CG 3.63Å; W34-F38 HydrophobicContact CZ3-CB 4.15Å; W34-F38 HydrophobicContact CZ3-CD1 4.11Å; W34-F38 HydrophobicContact CZ3-CD2 4.38Å; W34-F38 AromaticContact CZ3-CG 3.99Å; W34-F38 HydrophobicContact CZ3-CG 3.99Å; W34-F38 PolarHBondContact O-N 3.38Å; F38-K258 PolarHBondContact O-NZ 3.26Å
39R61.5Low72.4Confident61 Ų6125.6 Ų25.623%0.2312%0.122CC..  trans-13670.3178.9-64.7-175.3-177.9-12011.6112.7E4 W34 E41 Y42E4-R39 IonicContact OE1-NH1 3.3Å; W34-R39 PolarHBondContact O-N 3.15Å; R39-E41 WeakPolarHBondContact CA-OE2 3.36Å; R39-E41 PolarHBondContact O-N 3.26Å; R39-Y42 HydrophobicContact CB-CD2 3.73Å; R39-Y42 HydrophobicContact CB-CE2 4.26Å; R39-Y42 PolarHBondContact O-N 3.39Å
40P69Low72.9Confident1 Ų131.5 Ų31.51%0.00615%0.148CC..G310 helixtrans-53.2-22.6178.624.6-36.3000115G35 Y42 L43 K258 F262 F263G35-P40 VanDerWaalsContact O-CA 3.26Å; G35-P40 WeakPolarHBondContact O-CA 3.35Å; P40-Y42 PolarHBondContact O-N 2.88Å; P40-L43 WeakPolarHBondContact O-CB 3.39Å; P40-L43 PolarHBondContact O-N 2.92Å; P40-L43 VanDerWaalsContact O-N 3.12Å; P40-K258 HydrophobicContact CG-CD 4.33Å; P40-K258 HydrophobicContact CG-CG 4.21Å; P40-F262 HydrophobicContact CB-CB 4.39Å; P40-F262 HydrophobicContact CG-CB 4.38Å; P40-F262 HydrophobicContact CG-CD2 3.96Å; P40-F262 HydrophobicContact CG-CG 4.26Å; P40-F263 HydrophobicContact CB-CE2 3.54Å; P40-F263 HydrophobicContact CB-CZ 4.05Å
41E77.2Confident73.5Confident3 Ų335.7 Ų35.71%0.01416%0.164CC..G310 helixtrans-57.9-32.3176.3-6092.4166.200113P3 E4 L7 R39 L43 K44 I45 K258 F262P3-E41 HydrophobicContact CB-CB 3.64Å; E4-E41 HydrophobicContact CG-CG 3.87Å; E4-E41 WeakPolarHBondContact CG-OE1 3.42Å; L7-E41 HydrophobicContact CD1-CB 3.86Å; L7-E41 HydrophobicContact CD1-CG 4.39Å; L7-E41 WeakPolarHBondContact CD1-O 3.48Å; R39-E41 WeakPolarHBondContact CA-OE2 3.36Å; R39-E41 PolarHBondContact O-N 3.26Å; E41-L43 PolarHBondContact O-N 2.52Å; E41-K44 PolarHBondContact O-N 3.12Å; E41-I45 PolarHBondContact O-N 3.05Å; E41-K258 VanDerWaalsContact CD-CE 3.47Å; E41-K258 WeakPolarHBondContact OE1-CE 3.35Å; E41-K258 IonicContact OE1-NZ 3.56Å; E41-K258 PolarHBondContact OE1-NZ 3.16Å; E41-K258 VanDerWaalsContact OE1-NZ 3.07Å; E41-K258 WeakPolarHBondContact OE2-CE 3.38Å; E41-K258 IonicContact OE2-NZ 3Å; E41-K258 PolarHBondContact OE2-NZ 2.85Å; E41-K258 VanDerWaalsContact OE2-NZ 3.11Å; E41-F262 HydrophobicContact CG-CD1 4.22Å; E41-F262 HydrophobicContact CG-CE1 3.53Å; E41-F262 HydrophobicContact CG-CE2 4.05Å; E41-F262 HydrophobicContact CG-CZ 3.43Å; E41-F262 VanDerWaalsContact CG-CZ 3.43Å; E41-F262 WeakPolarHBondContact OE1-CE2 3.23Å; E41-F262 WeakPolarHBondContact OE1-CZ 3.26Å
42Y79.8Confident74Confident27 Ų2736.1 Ų36.111%0.10617%0.167CC..G310 helixtrans-59.8-31.5177.5-91.8-89000112.6P3 V25 C30 I31 R39 P40 K44 I45P3-Y42 HydrophobicContact CB-CD2 4.43Å; P3-Y42 HydrophobicContact CG-CD2 3.75Å; P3-Y42 HydrophobicContact CG-CE1 4.43Å; P3-Y42 HydrophobicContact CG-CE2 3.41Å; P3-Y42 VanDerWaalsContact CG-CE2 3.41Å; P3-Y42 HydrophobicContact CG-CG 4.39Å; V25-Y42 HydrophobicContact CG1-CE1 4.18Å; C30-Y42 HydrophobicContact CB-CD1 3.92Å; C30-Y42 HydrophobicContact CB-CD2 3.88Å; C30-Y42 HydrophobicContact CB-CE1 3.76Å; C30-Y42 HydrophobicContact CB-CE2 3.71Å; C30-Y42 HydrophobicContact CB-CG 3.98Å; I31-Y42 HydrophobicContact CD1-CD1 4.46Å; I31-Y42 HydrophobicContact CG1-CD1 3.6Å; I31-Y42 HydrophobicContact CG1-CG 4.25Å; R39-Y42 HydrophobicContact CB-CD2 3.73Å; R39-Y42 HydrophobicContact CB-CE2 4.26Å; R39-Y42 PolarHBondContact O-N 3.39Å; P40-Y42 PolarHBondContact O-N 2.88Å; Y42-K44 PolarHBondContact O-N 2.83Å; Y42-I45 HydrophobicContact CD1-CD1 3.44Å; Y42-I45 VanDerWaalsContact CD1-CD1 3.44Å; Y42-I45 HydrophobicContact CE1-CD1 3.92Å; Y42-I45 HydrophobicContact CG-CD1 3.95Å; Y42-I45 PolarHBondContact O-N 2.93Å
43L80Confident74.7Confident15 Ų1538.6 Ų38.68%0.07920%0.195CC..G310 helixtrans-69.7-21.6177.5-64.4176.8000113.2I31 G35 P40 E41 L75 R78 F263 L273I31-L43 HydrophobicContact CG2-CD2 4.38Å; G35-L43 WeakPolarHBondContact O-CD1 3.22Å; G35-L43 WeakPolarHBondContact O-CG 3.44Å; P40-L43 WeakPolarHBondContact O-CB 3.39Å; P40-L43 PolarHBondContact O-N 2.92Å; P40-L43 VanDerWaalsContact O-N 3.12Å; E41-L43 PolarHBondContact O-N 2.52Å; L43-L75 HydrophobicContact CD2-CD1 3.89Å; L43-R78 PolarHBondContact O-NH2 3.14Å; L43-F263 HydrophobicContact CD1-CZ 4.07Å; L43-L273 HydrophobicContact CD1-CD1 4.09Å
44K86.4Confident76.1Confident43 Ų4339.6 Ų39.619%0.18721%0.213CC..G310 helixtrans-95.3-7.5-179.9-62.2-68-180179.90112.7L7 E41 Y42 A46 D47 G48 E266L7-K44 HydrophobicContact CD1-CB 3.68Å; L7-K44 HydrophobicContact CD2-CB 4.01Å; E41-K44 PolarHBondContact O-N 3.12Å; Y42-K44 PolarHBondContact O-N 2.83Å; K44-A46 VanDerWaalsContact C-N 3.26Å; K44-A46 PolarHBondContact O-N 2.83Å; K44-D47 PolarHBondContact O-N 3.35Å; K44-G48 PolarHBondContact O-N 3.38Å; K44-E266 IonicContact NZ-OE1 3.87Å; K44-E266 IonicContact NZ-OE2 2.75Å; K44-E266 PolarHBondContact NZ-OE2 3.03Å
45I89.3Confident77.7Confident10 Ų1037.2 Ų37.25%0.05121%0.207CC..Hα-helixtrans-55.4-43.4178.2-68.8176.5000110.9P3 F6 V25 E41 Y42 D47 G48 T49 L76P3-I45 HydrophobicContact CB-CD1 4.31Å; P3-I45 HydrophobicContact CG-CD1 4.4Å; F6-I45 HydrophobicContact CE1-CG2 4.36Å; V25-I45 HydrophobicContact CG1-CD1 4.21Å; V25-I45 HydrophobicContact CG2-CG2 3.96Å; E41-I45 PolarHBondContact O-N 3.05Å; Y42-I45 HydrophobicContact CD1-CD1 3.44Å; Y42-I45 VanDerWaalsContact CD1-CD1 3.44Å; Y42-I45 HydrophobicContact CE1-CD1 3.92Å; Y42-I45 HydrophobicContact CG-CD1 3.95Å; Y42-I45 PolarHBondContact O-N 2.93Å; I45-D47 VanDerWaalsContact C-N 3.27Å; I45-D47 PolarHBondContact O-N 3.03Å; I45-G48 CarbonylContact O-C 3.54Å; I45-G48 PolarHBondContact O-N 3.17Å; I45-G48 VanDerWaalsContact O-N 3.13Å; I45-T49 HydrophobicContact CG2-CG2 4.1Å; I45-T49 WeakPolarHBondContact O-CG2 3.48Å; I45-T49 PolarHBondContact O-N 3.17Å; I45-T49 PolarHBondContact O-OG1 3.24Å; I45-L76 HydrophobicContact CB-CD1 4.31Å; I45-L76 HydrophobicContact CG2-CD1 3.74Å
46A89Confident80Confident12 Ų1243.1 Ų43.110%0.09924%0.238CC..Hα-helixtrans-59.9-35.5177.600000113.3K44 T49 K50 L75 L76K44-A46 VanDerWaalsContact C-N 3.26Å; K44-A46 PolarHBondContact O-N 2.83Å; A46-T49 PolarHBondContact O-OG1 3.1Å; A46-K50 PolarHBondContact O-N 3.22Å; A46-L75 WeakPolarHBondContact CB-O 3.45Å; A46-L76 HydrophobicContact CB-CD1 4.49Å
47D89.5Confident82.1Confident65 Ų6543.8 Ų43.835%0.34824%0.243SC..Hα-helixtrans-73.9-38.3177.4-57.1-32.9000110.2K44 I45 K50 F51 R78K44-D47 PolarHBondContact O-N 3.35Å; I45-D47 VanDerWaalsContact C-N 3.27Å; I45-D47 PolarHBondContact O-N 3.03Å; D47-K50 PolarHBondContact O-N 2.87Å; D47-F51 PolarHBondContact O-N 2.87Å; D47-R78 IonicContact OD1-CZ 2.71Å; D47-R78 IonicContact OD1-NH1 3.65Å; D47-R78 PolarHBondContact OD1-NH1 3.39Å; D47-R78 IonicContact OD1-NH2 2.73Å; D47-R78 IonicContact OD2-NH1 3.98Å
48G91.1Very high84.3Confident5 Ų546.5 Ų46.55%0.05226%0.257CS..Hα-helixtrans-66.3-41174.600000113.7Q12 K44 I45 K50 F51 I52Q12-G48 PolarHBondContact OE1-O 3.42Å; Q12-G48 VanDerWaalsContact OE1-O 3.09Å; K44-G48 PolarHBondContact O-N 3.38Å; I45-G48 CarbonylContact O-C 3.54Å; I45-G48 PolarHBondContact O-N 3.17Å; I45-G48 VanDerWaalsContact O-N 3.13Å; G48-K50 VanDerWaalsContact C-N 3.29Å; G48-K50 PolarHBondContact O-N 3.18Å; G48-F51 PolarHBondContact O-N 3.02Å; G48-I52 WeakPolarHBondContact O-CG1 3.39Å; G48-I52 PolarHBondContact O-N 3.04Å
49T91.1Very high86.3Confident13 Ų1342.7 Ų42.78%0.0825%0.245CC..Hα-helixtrans-64.6-36175.857.10000111.5F6 I23 I45 A46 I52 G54 V57F6-T49 HydrophobicContact CE1-CG2 4.48Å; F6-T49 HydrophobicContact CZ-CG2 4.1Å; I23-T49 HydrophobicContact CD1-CG2 3.83Å; I23-T49 HydrophobicContact CG2-CG2 4.39Å; I45-T49 HydrophobicContact CG2-CG2 4.1Å; I45-T49 WeakPolarHBondContact O-CG2 3.48Å; I45-T49 PolarHBondContact O-N 3.17Å; I45-T49 PolarHBondContact O-OG1 3.24Å; A46-T49 PolarHBondContact O-OG1 3.1Å; T49-I52 WeakPolarHBondContact O-CG1 3.27Å; T49-G54 VanDerWaalsContact O-CA 3.31Å; T49-G54 WeakPolarHBondContact O-CA 3.34Å; T49-G54 PolarHBondContact O-N 3.42Å; T49-V57 HydrophobicContact CG2-CG2 4.07Å
50K90.1Very high87.8Confident129 Ų12943.3 Ų43.356%0.56125%0.253SS*.Hα-helixtrans-65.8-41.9172.7-175.8168.7-177.2156.60112.3A46 D47 G48 I52 G53 E79A46-K50 PolarHBondContact O-N 3.22Å; D47-K50 PolarHBondContact O-N 2.87Å; G48-K50 VanDerWaalsContact C-N 3.29Å; G48-K50 PolarHBondContact O-N 3.18Å; K50-I52 VanDerWaalsContact C-N 3.33Å; K50-I52 PolarHBondContact O-N 3.29Å; K50-G53 PolarHBondContact O-N 3.22Å; K50-G53 VanDerWaalsContact O-N 3.14Å; K50-E79 WeakPolarHBondContact CE-OE1 3.35Å; K50-E79 IonicContact NZ-OE1 2.79Å; K50-E79 PolarHBondContact NZ-OE1 3.29Å
51F90.1Very high88.7Confident101 Ų10145.7 Ų45.744%0.44327%0.268SS..Hα-helixtrans-60.1-40.2-179.5-177.5-89.2000112.7Q12 Q16 D47 G48 G53Q12-F51 HydrophobicContact CB-CD1 3.78Å; Q12-F51 HydrophobicContact CB-CE1 3.76Å; Q12-F51 HydrophobicContact CG-CD1 4.37Å; Q16-F51 PolarHBondContact NE2-O 2.73Å; D47-F51 PolarHBondContact O-N 2.87Å; G48-F51 PolarHBondContact O-N 3.02Å; F51-G53 PolarHBondContact O-N 3.37Å
52I91.6Very high88.8Confident11 Ų1148.9 Ų48.96%0.05629%0.294CS..THydrogen-bonded Turntrans-81.813.1178.463.4-169000114.4F6 Q12 L15 Q16 L20 I23 G48 T49 K50 P55F6-I52 HydrophobicContact CE2-CD1 3.67Å; F6-I52 HydrophobicContact CZ-CD1 3.78Å; Q12-I52 WeakPolarHBondContact O-CG2 3.2Å; Q12-I52 VanDerWaalsContact OE1-CG2 3.23Å; L15-I52 HydrophobicContact CB-CB 4.44Å; L15-I52 HydrophobicContact CB-CG2 3.82Å; Q16-I52 HydrophobicContact CB-CB 4.39Å; Q16-I52 HydrophobicContact CB-CG2 4.22Å; L20-I52 HydrophobicContact CD1-CD1 3.87Å; L20-I52 HydrophobicContact CD1-CG1 4.49Å; I23-I52 HydrophobicContact CD1-CD1 3.37Å; I23-I52 HydrophobicContact CD1-CG1 4.33Å; G48-I52 WeakPolarHBondContact O-CG1 3.39Å; G48-I52 PolarHBondContact O-N 3.04Å; T49-I52 WeakPolarHBondContact O-CG1 3.27Å; K50-I52 VanDerWaalsContact C-N 3.33Å; K50-I52 PolarHBondContact O-N 3.29Å; I52-P55 HydrophobicContact CG1-CG 4.45Å
53G87.2Confident88.5Confident69 Ų6948 Ų4871%0.71129%0.292SS*.THydrogen-bonded Turntrans100.77172.800000115.7K50 F51K50-G53 PolarHBondContact O-N 3.22Å; K50-G53 VanDerWaalsContact O-N 3.14Å; F51-G53 PolarHBondContact O-N 3.37Å
54G87.1Confident88.6Confident51 Ų5148.3 Ų48.353%0.52630%0.297SS..  trans67.751.7174.200000115.1T49T49-G54 VanDerWaalsContact O-CA 3.31Å; T49-G54 WeakPolarHBondContact O-CA 3.34Å; T49-G54 PolarHBondContact O-N 3.42Å
55P89.7Confident88.4Confident23 Ų2348.5 Ų48.515%0.14930%0.301CS..  trans-63.6167.4173.231.1-36.4000111.5L20 I23 I52 V57L20-P55 HydrophobicContact CB-CB 4.17Å; L20-P55 HydrophobicContact CB-CG 4.28Å; I23-P55 HydrophobicContact CD1-CG 3.36Å; I23-P55 HydrophobicContact CG1-CG 3.72Å; I52-P55 HydrophobicContact CG1-CG 4.45Å; P55-V57 PolarHBondContact O-N 3.06Å
56L91.9Very high88.2Confident125 Ų12551.9 Ų51.965%0.65432%0.324SS*.EExtended strand (participates in β ladder)trans-56.7133.1174.5-179.463.6000110L22 I23L22-L56 CarbonylContact C-O 3.39Å; L22-L56 WeakPolarHBondContact CA-O 3.48Å; L22-L56 HydrophobicContact CD1-CB 4.31Å; L22-L56 HydrophobicContact CD1-CD2 4.13Å; L22-L56 HydrophobicContact CD1-CG 4.01Å; I23-L56 PolarHBondContact N-O 2.7Å
57V93.3Very high87.9Confident27 Ų2753.1 Ų53.116%0.16433%0.334CS..EExtended strand (participates in β ladder)trans-112.6128.8178.8-178.40000109.3I23 V25 T49 P55 L76 F77I23-V57 CarbonylContact O-C 3.39Å; I23-V57 WeakPolarHBondContact O-CA 3.18Å; V25-V57 HydrophobicContact CG2-CG1 4.05Å; T49-V57 HydrophobicContact CG2-CG2 4.07Å; P55-V57 PolarHBondContact O-N 3.06Å; V57-L76 HydrophobicContact CG1-CD2 4.1Å; V57-L76 HydrophobicContact CG1-CG 4.35Å; V57-F77 HydrophobicContact CB-CE1 3.82Å; V57-F77 HydrophobicContact CB-CZ 4.47Å; V57-F77 HydrophobicContact CG1-CE1 3.88Å; V57-F77 HydrophobicContact CG1-CZ 4.07Å; V57-F77 WeakPolarHBondContact O-CE1 2.98Å
58L94.9Very high87.6Confident77 Ų7750.4 Ų50.440%0.40332%0.32SS..EExtended strand (participates in β ladder)trans-112123.4169.8175.363000108.2L22 I23 V24 V25 L60L22-L58 HydrophobicContact CD1-CB 3.93Å; I23-L58 PolarHBondContact O-N 2.99Å; V24-L58 CarbonylContact C-O 3.47Å; V24-L58 WeakPolarHBondContact CA-O 3.31Å; V24-L58 HydrophobicContact CG2-CB 4.46Å; V24-L58 HydrophobicContact CG2-CD2 4.36Å; V25-L58 PolarHBondContact N-O 3.3Å; L58-L60 HydrophobicContact CD1-CD2 3.98Å; L58-L60 HydrophobicContact CD2-CD1 4.41Å; L58-L60 HydrophobicContact CD2-CD2 4.03Å; L58-L60 HydrophobicContact CD2-CG 4.34Å; L58-L60 HydrophobicContact CG-CD2 3.85Å; L58-L60 HydrophobicContact CG-CG 4.1Å
59A93.6Very high87.5Confident28 Ų2853.4 Ų53.423%0.23133%0.33CS..EExtended strand (participates in β ladder)trans-104129174.600000109.3V25 A28 I72 L76 F77V25-A59 WeakPolarHBondContact O-CA 3.48Å; A28-A59 HydrophobicContact CB-CB 3.8Å; A59-I72 HydrophobicContact CB-CG2 4.14Å; A59-L76 HydrophobicContact CB-CD2 3.83Å; A59-F77 HydrophobicContact CB-CE2 3.71Å; A59-F77 HydrophobicContact CB-CZ 3.76Å
60L92.7Very high87.4Confident74 Ų7458.9 Ų58.939%0.38736%0.356SS..  trans-120.5139.2-179.1-58.6177.4000109.7V24 V25 E27 A28 L58V24-L60 HydrophobicContact CG1-CD1 3.59Å; V24-L60 HydrophobicContact CG1-CG 4.07Å; V25-L60 PolarHBondContact O-N 3.41Å; E27-L60 PolarHBondContact N-O 3.44Å; E27-L60 VanDerWaalsContact N-O 3.12Å; A28-L60 WeakPolarHBondContact CB-O 3.33Å; A28-L60 PolarHBondContact N-O 2.79Å; L58-L60 HydrophobicContact CD1-CD2 3.98Å; L58-L60 HydrophobicContact CD2-CD1 4.41Å; L58-L60 HydrophobicContact CD2-CD2 4.03Å; L58-L60 HydrophobicContact CD2-CG 4.34Å; L58-L60 HydrophobicContact CG-CD2 3.85Å; L58-L60 HydrophobicContact CG-CG 4.1Å
61T87.1Confident87.3Confident52 Ų5254 Ų5432%0.31934%0.336SS..  trans-161.9146.1176-178.70000109.8H29 A64 I72H29-T61 WeakPolarHBondContact CB-OG1 3.27Å; H29-T61 PolarHBondContact ND1-OG1 3.24Å; T61-A64 HydrophobicContact CG2-CB 3.46Å; T61-A64 VanDerWaalsContact CG2-CB 3.46Å; T61-I72 HydrophobicContact CG2-CD1 4.24Å
62A79.8Confident87.2Confident69 Ų6949.8 Ų49.857%0.5732%0.318SS*.SBendtrans-90.7-2817800000113.3
63T72.8Confident87.2Confident9 Ų951.5 Ų51.56%0.05533%0.326CS..SBendtrans-130.839.1-162.154.20000113.8L199 Q200T63-L199 HydrophobicContact CG2-CB 4.2Å; T63-L199 HydrophobicContact CG2-CD2 4.12Å; T63-L199 HydrophobicContact CG2-CG 4.23Å; T63-Q200 HydrophobicContact CG2-CB 4.02Å
64A82.7Confident87.3Confident22 Ų2253.9 Ų53.918%0.18231%0.313CS..  trans-90.4112.7-178.800000113.2T61 V68 R69 I72T61-A64 HydrophobicContact CG2-CB 3.46Å; T61-A64 VanDerWaalsContact CG2-CB 3.46Å; A64-V68 HydrophobicContact CB-CB 4.13Å; A64-V68 HydrophobicContact CB-CG1 3.67Å; A64-R69 HydrophobicContact CB-CG 3.62Å; A64-R69 WeakPolarHBondContact O-CD 3.38Å; A64-I72 HydrophobicContact CB-CD1 4.42Å
65T82.1Confident87.3Confident46 Ų4652.6 Ų52.628%0.28229%0.294SS..  trans-64.4164.317063.90000111.9A67 V68 R69 E196T65-A67 PolarHBondContact O-N 2.75Å; T65-A67 VanDerWaalsContact O-N 3.17Å; T65-V68 PolarHBondContact O-N 3.25Å; T65-V68 WeakPolarHBondContact OG1-CG2 3.46Å; T65-V68 PolarHBondContact OG1-N 3.39Å; T65-R69 WeakPolarHBondContact O-CG 3.45Å; T65-R69 PolarHBondContact O-N 3.42Å; T65-E196 HydrophobicContact CG2-CG 4.11Å; T65-E196 WeakPolarHBondContact CG2-OE1 3.42Å
66P85.4Confident87.3Confident82 Ų8252 Ų5253%0.53229%0.29SS..Hα-helixtrans-48.8-41.5174.3-27.734.5000114.1R69 M70P66-R69 PolarHBondContact O-N 3.19Å; P66-M70 WeakPolarHBondContact O-CG 3.48Å; P66-M70 PolarHBondContact O-N 3Å; P66-M70 VanDerWaalsContact O-N 3.09Å
67A82.2Confident87.3Confident38 Ų3847.8 Ų47.831%0.31427%0.266SS..Hα-helixtrans-64.4-46.7176.600000112.5T65 R69 M70 D71T65-A67 PolarHBondContact O-N 2.75Å; T65-A67 VanDerWaalsContact O-N 3.17Å; A67-R69 VanDerWaalsContact C-N 3.34Å; A67-R69 PolarHBondContact O-N 3.01Å; A67-M70 PolarHBondContact O-N 3.31Å; A67-D71 PolarHBondContact O-N 3.06Å
68V83.4Confident86.8Confident8 Ų851.4 Ų51.45%0.04828%0.277CS..Hα-helixtrans-62.8-40.3177.9171.80000111.4H29 Q33 A64 T65 D71 I72H29-V68 HydrophobicContact CB-CG1 3.77Å; Q33-V68 HydrophobicContact CG-CG2 4.13Å; A64-V68 HydrophobicContact CB-CB 4.13Å; A64-V68 HydrophobicContact CB-CG1 3.67Å; T65-V68 PolarHBondContact O-N 3.25Å; T65-V68 WeakPolarHBondContact OG1-CG2 3.46Å; T65-V68 PolarHBondContact OG1-N 3.39Å; V68-D71 WeakPolarHBondContact O-CB 3.13Å; V68-D71 PolarHBondContact O-N 2.91Å; V68-I72 HydrophobicContact CG1-CD1 3.98Å; V68-I72 HydrophobicContact CG1-CG1 4.44Å; V68-I72 WeakPolarHBondContact O-CG1 3.34Å; V68-I72 PolarHBondContact O-N 3.39Å
69R89.2Confident86.1Confident68 Ų6854.1 Ų54.126%0.25729%0.287SS..Hα-helixtrans-63.3-43.4177.2-65.2175.8-47.7161.5-2.3111.6A64 T65 P66 A67 D71 I72 Q73 E84 I86A64-R69 HydrophobicContact CB-CG 3.62Å; A64-R69 WeakPolarHBondContact O-CD 3.38Å; T65-R69 WeakPolarHBondContact O-CG 3.45Å; T65-R69 PolarHBondContact O-N 3.42Å; P66-R69 PolarHBondContact O-N 3.19Å; A67-R69 VanDerWaalsContact C-N 3.34Å; A67-R69 PolarHBondContact O-N 3.01Å; R69-D71 VanDerWaalsContact C-N 3.3Å; R69-D71 PolarHBondContact O-N 3.33Å; R69-I72 PolarHBondContact O-N 2.93Å; R69-Q73 WeakPolarHBondContact O-CB 3.14Å; R69-Q73 PolarHBondContact O-N 3.17Å; R69-E84 WeakPolarHBondContact CB-OE1 3.23Å; R69-E84 WeakPolarHBondContact CD-OE1 3.34Å; R69-E84 IonicContact CZ-OE1 3.92Å; R69-E84 IonicContact NE-OE1 2.75Å; R69-E84 IonicContact NH1-OE1 3.91Å; R69-I86 VanDerWaalsContact NH1-CG1 3.3Å
70M88.7Confident85.6Confident128 Ų12858.8 Ų58.863%0.63131%0.308SS*.Hα-helixtrans-60.3-40.3172.9-73-172.4-67.900112P66 A67 Q73 R74P66-M70 WeakPolarHBondContact O-CG 3.48Å; P66-M70 PolarHBondContact O-N 3Å; P66-M70 VanDerWaalsContact O-N 3.09Å; A67-M70 PolarHBondContact O-N 3.31Å; M70-Q73 PolarHBondContact O-N 3.09Å; M70-R74 VanDerWaalsContact O-CB 3.23Å; M70-R74 WeakPolarHBondContact O-CB 3.47Å; M70-R74 PolarHBondContact O-N 3.48Å
71D87.1Confident85.3Confident25 Ų2563.8 Ų63.813%0.13433%0.33CS..Hα-helixtrans-66.3-44.2176.3-85.4-17000112.7S32 A67 V68 R69 Q73 R74 L75S32-D71 PolarHBondContact OG-OD2 2.85Å; A67-D71 PolarHBondContact O-N 3.06Å; V68-D71 WeakPolarHBondContact O-CB 3.13Å; V68-D71 PolarHBondContact O-N 2.91Å; R69-D71 VanDerWaalsContact C-N 3.3Å; R69-D71 PolarHBondContact O-N 3.33Å; D71-Q73 VanDerWaalsContact C-N 3.29Å; D71-Q73 PolarHBondContact O-N 2.88Å; D71-R74 PolarHBondContact O-N 3.43Å; D71-R74 IonicContact OD1-CZ 3.46Å; D71-R74 IonicContact OD1-NE 3.51Å; D71-R74 IonicContact OD1-NH2 2.7Å; D71-R74 PolarHBondContact OD1-NH2 2.91Å; D71-L75 HydrophobicContact CB-CD1 4.31Å; D71-L75 WeakPolarHBondContact O-CB 3.42Å; D71-L75 VanDerWaalsContact O-CG 3.27Å; D71-L75 WeakPolarHBondContact O-CG 3.45Å; D71-L75 PolarHBondContact O-N 3.2Å
72I89.1Confident85.5Confident13 Ų1362.9 Ų62.97%0.06733%0.327CS..Hα-helixtrans-57.3-47.7173.8-67.5165.7000109.4A28 A59 T61 A64 V68 R69 R74 L75 L76 F77A28-I72 HydrophobicContact CB-CD1 3.95Å; A28-I72 HydrophobicContact CB-CG1 4.39Å; A28-I72 HydrophobicContact CB-CG2 4.44Å; A28-I72 WeakPolarHBondContact O-CG1 3.48Å; A59-I72 HydrophobicContact CB-CG2 4.14Å; T61-I72 HydrophobicContact CG2-CD1 4.24Å; A64-I72 HydrophobicContact CB-CD1 4.42Å; V68-I72 HydrophobicContact CG1-CD1 3.98Å; V68-I72 HydrophobicContact CG1-CG1 4.44Å; V68-I72 WeakPolarHBondContact O-CG1 3.34Å; V68-I72 PolarHBondContact O-N 3.39Å; R69-I72 PolarHBondContact O-N 2.93Å; I72-R74 VanDerWaalsContact C-N 3.34Å; I72-R74 PolarHBondContact O-N 3.38Å; I72-L75 PolarHBondContact O-N 3Å; I72-L76 HydrophobicContact CG2-CB 4.46Å; I72-L76 HydrophobicContact CG2-CD2 4.41Å; I72-L76 VanDerWaalsContact O-CB 3.23Å; I72-L76 WeakPolarHBondContact O-CB 3.31Å; I72-L76 PolarHBondContact O-N 3.45Å; I72-F77 HydrophobicContact CG2-CD2 4.27Å; I72-F77 HydrophobicContact CG2-CE2 3.99Å
73Q90.8Very high86.2Confident47 Ų4767.4 Ų67.422%0.2233%0.334CS..Hα-helixtrans-59.2-44.4178.3-172.156.46400112R69 M70 D71 F77 Q81 A82R69-Q73 WeakPolarHBondContact O-CB 3.14Å; R69-Q73 PolarHBondContact O-N 3.17Å; M70-Q73 PolarHBondContact O-N 3.09Å; D71-Q73 VanDerWaalsContact C-N 3.29Å; D71-Q73 PolarHBondContact O-N 2.88Å; Q73-F77 CarbonylContact O-C 3.2Å; Q73-F77 WeakPolarHBondContact O-CB 3.5Å; Q73-F77 PolarHBondContact O-N 3.42Å; Q73-Q81 VanDerWaalsContact NE2-CA 3.34Å; Q73-A82 VanDerWaalsContact OE1-N 3.15Å
74R89Confident87.2Confident120 Ų12072 Ų7245%0.45336%0.355SS..Hα-helixtrans-71.5-40.4-179.1179.8174.864.2147.4-0.5112.9M70 D71 I72 R78M70-R74 VanDerWaalsContact O-CB 3.23Å; M70-R74 WeakPolarHBondContact O-CB 3.47Å; M70-R74 PolarHBondContact O-N 3.48Å; D71-R74 PolarHBondContact O-N 3.43Å; D71-R74 IonicContact OD1-CZ 3.46Å; D71-R74 IonicContact OD1-NE 3.51Å; D71-R74 IonicContact OD1-NH2 2.7Å; D71-R74 PolarHBondContact OD1-NH2 2.91Å; I72-R74 VanDerWaalsContact C-N 3.34Å; I72-R74 PolarHBondContact O-N 3.38Å; R74-R78 WeakPolarHBondContact O-CG 3.21Å
75L88.3Confident87.6Confident23 Ų2377.5 Ų77.512%0.1238%0.375CS..Hα-helixtrans-93.1-38.9-168.4-65.1172.5000112.7I31 L43 A46 D71 I72 R78I31-L75 HydrophobicContact CG2-CB 3.62Å; I31-L75 HydrophobicContact CG2-CD1 3.76Å; I31-L75 HydrophobicContact CG2-CG 4.35Å; L43-L75 HydrophobicContact CD2-CD1 3.89Å; A46-L75 WeakPolarHBondContact CB-O 3.45Å; D71-L75 HydrophobicContact CB-CD1 4.31Å; D71-L75 WeakPolarHBondContact O-CB 3.42Å; D71-L75 VanDerWaalsContact O-CG 3.27Å; D71-L75 WeakPolarHBondContact O-CG 3.45Å; D71-L75 PolarHBondContact O-N 3.2Å; I72-L75 PolarHBondContact O-N 3Å; L75-R78 PolarHBondContact O-NE 3.28Å
76L90.4Very high88Confident11 Ų1180.5 Ų80.56%0.05839%0.388CS..THydrogen-bonded Turntrans-90.7-41.3-178.3-171.358.9000112.5V25 I31 I45 A46 V57 A59 I72V25-L76 HydrophobicContact CB-CD2 4.17Å; V25-L76 HydrophobicContact CG1-CD2 4.38Å; V25-L76 HydrophobicContact CG2-CD1 4.32Å; V25-L76 HydrophobicContact CG2-CD2 4.06Å; I31-L76 HydrophobicContact CD1-CB 3.85Å; I31-L76 HydrophobicContact CD1-CD1 4.09Å; I31-L76 HydrophobicContact CD1-CD2 3.77Å; I31-L76 HydrophobicContact CD1-CG 4.11Å; I45-L76 HydrophobicContact CB-CD1 4.31Å; I45-L76 HydrophobicContact CG2-CD1 3.74Å; A46-L76 HydrophobicContact CB-CD1 4.49Å; V57-L76 HydrophobicContact CG1-CD2 4.1Å; V57-L76 HydrophobicContact CG1-CG 4.35Å; A59-L76 HydrophobicContact CB-CD2 3.83Å; I72-L76 HydrophobicContact CG2-CB 4.46Å; I72-L76 HydrophobicContact CG2-CD2 4.41Å; I72-L76 VanDerWaalsContact O-CB 3.23Å; I72-L76 WeakPolarHBondContact O-CB 3.31Å; I72-L76 PolarHBondContact O-N 3.45Å
77F90.4Very high88.1Confident36 Ų3684.7 Ų84.716%0.15840%0.398CS..  trans-108.251.6-171.6-62.4-77000111.9V57 A59 I72 Q73 E79 N80 A82V57-F77 HydrophobicContact CB-CE1 3.82Å; V57-F77 HydrophobicContact CB-CZ 4.47Å; V57-F77 HydrophobicContact CG1-CE1 3.88Å; V57-F77 HydrophobicContact CG1-CZ 4.07Å; V57-F77 WeakPolarHBondContact O-CE1 2.98Å; A59-F77 HydrophobicContact CB-CE2 3.71Å; A59-F77 HydrophobicContact CB-CZ 3.76Å; I72-F77 HydrophobicContact CG2-CD2 4.27Å; I72-F77 HydrophobicContact CG2-CE2 3.99Å; Q73-F77 CarbonylContact O-C 3.2Å; Q73-F77 WeakPolarHBondContact O-CB 3.5Å; Q73-F77 PolarHBondContact O-N 3.42Å; F77-E79 VanDerWaalsContact C-N 3.32Å; F77-E79 PolarHBondContact O-N 3.36Å; F77-N80 WeakPolarHBondContact CB-O 3.49Å; F77-N80 VanDerWaalsContact O-O 3.11Å; F77-A82 HydrophobicContact CB-CB 4.39Å; F77-A82 HydrophobicContact CD1-CB 3.81Å; F77-A82 HydrophobicContact CD2-CB 3.83Å; F77-A82 HydrophobicContact CE1-CB 3.91Å; F77-A82 HydrophobicContact CE2-CB 3.93Å; F77-A82 HydrophobicContact CG-CB 3.77Å; F77-A82 HydrophobicContact CZ-CB 3.97Å
78R83.9Confident88.2Confident104 Ų10487.6 Ų87.639%0.39242%0.417SS..SBendtrans-61.6-33.4-171.5-62.9178.3-168.8167.36.4114.5L43 D47 R74 L75L43-R78 PolarHBondContact O-NH2 3.14Å; D47-R78 IonicContact OD1-CZ 2.71Å; D47-R78 IonicContact OD1-NH1 3.65Å; D47-R78 PolarHBondContact OD1-NH1 3.39Å; D47-R78 IonicContact OD1-NH2 2.73Å; D47-R78 IonicContact OD2-NH1 3.98Å; R74-R78 WeakPolarHBondContact O-CG 3.21Å; L75-R78 PolarHBondContact O-NE 3.28Å
79E79.4Confident88.2Confident134 Ų13491.5 Ų91.563%0.62644%0.44SS*.SBendtrans-93.1-33.4-172.4-62.9-173.2171.400113.1K50 F77K50-E79 WeakPolarHBondContact CE-OE1 3.35Å; K50-E79 IonicContact NZ-OE1 2.79Å; K50-E79 PolarHBondContact NZ-OE1 3.29Å; F77-E79 VanDerWaalsContact C-N 3.32Å; F77-E79 PolarHBondContact O-N 3.36Å
80N82.5Confident88Confident125 Ų12593 Ų9367%0.66845%0.454SS*.SBendtrans-138.4134.4-176.1-65.7-60000110.2F77 A82F77-N80 WeakPolarHBondContact CB-O 3.49Å; F77-N80 VanDerWaalsContact O-O 3.11Å; N80-A82 PolarHBondContact O-N 3.22Å
81Q87.9Confident88Confident180 Ų18090.1 Ų90.184%0.84144%0.435SS*.PPolyproline II helixtrans-63.2131173.4-75.7-166.4-3800110.8Q73Q73-Q81 VanDerWaalsContact NE2-CA 3.34Å
82A91.2Very high88.1Confident32 Ų3294.5 Ų94.526%0.26447%0.465SS..PPolyproline II helixtrans-81.1147.2178.600000109Q73 F77 N80 E84Q73-A82 VanDerWaalsContact OE1-N 3.15Å; F77-A82 HydrophobicContact CB-CB 4.39Å; F77-A82 HydrophobicContact CD1-CB 3.81Å; F77-A82 HydrophobicContact CD2-CB 3.83Å; F77-A82 HydrophobicContact CE1-CB 3.91Å; F77-A82 HydrophobicContact CE2-CB 3.93Å; F77-A82 HydrophobicContact CG-CB 3.77Å; F77-A82 HydrophobicContact CZ-CB 3.97Å; N80-A82 PolarHBondContact O-N 3.22Å; A82-E84 PolarHBondContact O-N 3.28Å
83K93.7Very high88.3Confident165 Ų16594.9 Ų94.972%0.71747%0.468SS*.PPolyproline II helixtrans-73.8119.3168.6-174.8173.5179.61780108.4F85K83-F85 HydrophobicContact CB-CE2 4.25Å; K83-F85 HydrophobicContact CD-CE1 4.36Å; K83-F85 HydrophobicContact CD-CE2 3.82Å; K83-F85 HydrophobicContact CD-CZ 3.53Å; K83-F85 HydrophobicContact CG-CD2 4.43Å; K83-F85 HydrophobicContact CG-CE2 3.76Å; K83-F85 HydrophobicContact CG-CZ 3.93Å
84E93.2Very high88.4Confident105 Ų10593.1 Ų93.149%0.49146%0.459SS..PPolyproline II helixtrans-89.5135.6-179.7-162.5178.7-149.700110.9R69 A82 I86R69-E84 WeakPolarHBondContact CB-OE1 3.23Å; R69-E84 WeakPolarHBondContact CD-OE1 3.34Å; R69-E84 IonicContact CZ-OE1 3.92Å; R69-E84 IonicContact NE-OE1 2.75Å; R69-E84 IonicContact NH1-OE1 3.91Å; A82-E84 PolarHBondContact O-N 3.28Å; E84-I86 HydrophobicContact CG-CD1 4.26Å; E84-I86 HydrophobicContact CG-CG1 3.89Å
85F92.8Very high88.6Confident137 Ų13790 Ų9060%0.60146%0.457SS*.  trans-124.2116.1171.8-64.2-89.4000108K83 F87K83-F85 HydrophobicContact CB-CE2 4.25Å; K83-F85 HydrophobicContact CD-CE1 4.36Å; K83-F85 HydrophobicContact CD-CE2 3.82Å; K83-F85 HydrophobicContact CD-CZ 3.53Å; K83-F85 HydrophobicContact CG-CD2 4.43Å; K83-F85 HydrophobicContact CG-CE2 3.76Å; K83-F85 HydrophobicContact CG-CZ 3.93Å; F85-F87 HydrophobicContact CB-CE2 4.04Å; F85-F87 HydrophobicContact CB-CZ 4.43Å
86I90Very high88.9Confident110 Ų11093.7 Ų93.756%0.56447%0.469SS*.  trans-113.5120.2-176.6-52.8151.4000106.9R69 E84R69-I86 VanDerWaalsContact NH1-CG1 3.3Å; E84-I86 HydrophobicContact CG-CD1 4.26Å; E84-I86 HydrophobicContact CG-CG1 3.89Å
87F86.8Confident89Confident169 Ų16996.4 Ų96.474%0.74148%0.481SS*.  trans-102.6157.8172.7-61-81.5000109.1F85 V89F85-F87 HydrophobicContact CB-CE2 4.04Å; F85-F87 HydrophobicContact CB-CZ 4.43Å; F87-V89 PolarHBondContact O-N 3.36Å
88S85.5Confident89.1Confident100 Ų10097.9 Ų97.970%0.69949%0.493SS*.  trans-60.1137.1174.4-170.50000109.9D90S88-D90 WeakPolarHBondContact OG-CB 3.49Å; S88-D90 PolarHBondContact OG-N 2.9Å; S88-D90 VanDerWaalsContact OG-N 3.12Å
89V82.9Confident89.5Confident90 Ų9094.7 Ų94.755%0.54548%0.481SS..  trans-77.8-10.1168.7-640000112F87 R91 L199F87-V89 PolarHBondContact O-N 3.36Å; V89-R91 PolarHBondContact O-N 3.38Å; V89-L199 HydrophobicContact CB-CD2 3.98Å; V89-L199 HydrophobicContact CG1-CD2 4Å; V89-L199 HydrophobicContact CG2-CD2 4.4Å
90D85.5Confident90Very high100 Ų10093.2 Ų93.254%0.53547%0.474SS..  trans-60.6134.5-179.4-176.229.1000111.4S88S88-D90 WeakPolarHBondContact OG-CB 3.49Å; S88-D90 PolarHBondContact OG-N 2.9Å; S88-D90 VanDerWaalsContact OG-N 3.12Å
91R87.3Confident90Very high66 Ų6691.6 Ų91.625%0.24946%0.462CS..  trans-124.887.7176.6-69.6-66.9-60-71-7.6106V89 N93 I94 G203 A205 G206V89-R91 PolarHBondContact O-N 3.38Å; R91-N93 PolarHBondContact O-N 3.38Å; R91-I94 HydrophobicContact CB-CB 4.25Å; R91-I94 HydrophobicContact CB-CD1 3.68Å; R91-I94 HydrophobicContact CB-CG1 3.9Å; R91-I94 HydrophobicContact CG-CD1 4.15Å; R91-I94 PolarHBondContact O-N 2.84Å; R91-G203 PolarHBondContact NH1-O 3.27Å; R91-A205 PolarHBondContact NH2-O 3.37Å; R91-G206 PolarHBondContact NH2-O 3.45Å
92P89.9Confident90.1Very high117 Ų11786.4 Ų86.476%0.7644%0.443SS*.THydrogen-bonded Turntrans-63.4-13.5-171.224.6-35.3000113.5
93N93.1Very high90.2Very high22 Ų2285.1 Ų85.112%0.11843%0.431CS..THydrogen-bonded Turntrans-88.74173.773.9-70.1000113.9R91 G206 G209 Q210 P211 S212R91-N93 PolarHBondContact O-N 3.38Å; N93-G206 WeakPolarHBondContact ND2-CA 3.44Å; N93-G206 PolarHBondContact ND2-O 3.22Å; N93-G209 WeakPolarHBondContact CB-O 3.45Å; N93-Q210 PolarHBondContact ND2-O 2.97Å; N93-P211 CarbonylContact O-C 3.55Å; N93-P211 WeakPolarHBondContact O-CA 3.25Å; N93-S212 PolarHBondContact O-N 3.24Å
94I93.3Very high90.2Very high9 Ų980.4 Ų80.45%0.04641%0.414CS..EExtended strand (participates in β ladder)trans-112.5117.2176.6-57.7178.8000108.8R91 Y96 A205 S212 A214R91-I94 HydrophobicContact CB-CB 4.25Å; R91-I94 HydrophobicContact CB-CD1 3.68Å; R91-I94 HydrophobicContact CB-CG1 3.9Å; R91-I94 HydrophobicContact CG-CD1 4.15Å; R91-I94 PolarHBondContact O-N 2.84Å; I94-Y96 HydrophobicContact CB-CE2 4.3Å; I94-Y96 HydrophobicContact CG2-CE1 4.49Å; I94-Y96 HydrophobicContact CG2-CE2 4.1Å; I94-Y96 WeakPolarHBondContact O-CD2 3.14Å; I94-Y96 WeakPolarHBondContact O-CE2 3.47Å; I94-A205 HydrophobicContact CD1-CB 4.14Å; I94-A205 HydrophobicContact CG1-CB 4.42Å; I94-S212 WeakPolarHBondContact CA-O 2.99Å; I94-A214 HydrophobicContact CG2-CB 3.72Å
95S93.3Very high90.1Very high56 Ų5681.7 Ų81.739%0.39242%0.42SS..EExtended strand (participates in β ladder)trans-88.1135.9171.6-65.20000110F97 S212 Q213 A214S95-F97 VanDerWaalsContact CB-CE2 3.49Å; S95-S212 PolarHBondContact N-O 3.29Å; S95-Q213 CarbonylContact O-C 3.58Å; S95-Q213 WeakPolarHBondContact O-CA 2.98Å; S95-A214 PolarHBondContact O-N 2.64Å
96Y93.7Very high90.2Very high99 Ų9975.9 Ų75.939%0.38839%0.394SS..EExtended strand (participates in β ladder)trans-106.2128.9-177.1-65.2-97.1000110.8I94 Y198 V202 A214I94-Y96 HydrophobicContact CB-CE2 4.3Å; I94-Y96 HydrophobicContact CG2-CE1 4.49Å; I94-Y96 HydrophobicContact CG2-CE2 4.1Å; I94-Y96 WeakPolarHBondContact O-CD2 3.14Å; I94-Y96 WeakPolarHBondContact O-CE2 3.47Å; Y96-Y198 HydrophobicContact CD1-CE1 4.18Å; Y96-Y198 WeakPolarHBondContact CD1-OH 3.29Å; Y96-Y198 HydrophobicContact CE1-CE1 4.11Å; Y96-V202 HydrophobicContact CE1-CG2 4.07Å; Y96-A214 CarbonylContact C-O 3.18Å; Y96-A214 WeakPolarHBondContact CA-O 3.26Å; Y96-A214 HydrophobicContact CD1-CB 3.8Å; Y96-A214 HydrophobicContact CE1-CB 4.05Å; Y96-A214 HydrophobicContact CG-CB 4.4Å
97F93.7Very high90.5Very high68 Ų6870.7 Ų70.730%0.29837%0.368SS..EExtended strand (participates in β ladder)trans-131.1145179.1-58.1-87.9000110.7S95 Y99 Q213 A214 I215 L216S95-F97 VanDerWaalsContact CB-CE2 3.49Å; F97-Y99 HydrophobicContact CB-CE2 3.92Å; F97-Q213 HydrophobicContact CD2-CB 4.31Å; F97-Q213 HydrophobicContact CE2-CB 4.16Å; F97-Q213 HydrophobicContact CE2-CG 3.98Å; F97-A214 PolarHBondContact N-O 3.01Å; F97-I215 HydrophobicContact CB-CG1 4.26Å; F97-I215 HydrophobicContact CB-CG2 4.44Å; F97-I215 HydrophobicContact CD2-CG1 4.16Å; F97-I215 CarbonylContact O-C 3.52Å; F97-I215 WeakPolarHBondContact O-CA 3.39Å; F97-L216 PolarHBondContact O-N 2.66Å
98V92.6Very high90.9Very high67 Ų6767 Ų6741%0.40635%0.353SS..EExtended strand (participates in β ladder)trans-128.7128.5170.9-176.20000107.5L216 A456V98-L216 CarbonylContact C-O 3.58Å; V98-L216 WeakPolarHBondContact CA-O 3.44Å; V98-L216 HydrophobicContact CG1-CD2 4.35Å; V98-L216 HydrophobicContact CG1-CG 4.47Å; V98-L216 HydrophobicContact CG2-CB 4.29Å; V98-L216 HydrophobicContact CG2-CD2 4.4Å; V98-A456 WeakPolarHBondContact O-CB 3.3Å
99Y91.5Very high91.3Very high38 Ų3866.5 Ų66.515%0.14934%0.339CS..EExtended strand (participates in β ladder)trans-115.8131.1175.3-64-74.4000110.2F97 K106 L110 I215 L216 L217 Y218F97-Y99 HydrophobicContact CB-CE2 3.92Å; Y99-K106 HydrophobicContact CD1-CD 4.41Å; Y99-K106 HydrophobicContact CD2-CG 4.29Å; Y99-K106 VanDerWaalsContact CE1-CE 3.45Å; Y99-K106 HydrophobicContact CG-CD 4.32Å; Y99-K106 HydrophobicContact CG-CG 4.05Å; Y99-L110 HydrophobicContact CD2-CD1 4.35Å; Y99-L110 HydrophobicContact CE2-CD1 4.4Å; Y99-L110 HydrophobicContact CE2-CD2 4.18Å; Y99-I215 HydrophobicContact CD2-CG2 3.52Å; Y99-I215 HydrophobicContact CE2-CG2 3.61Å; Y99-L216 PolarHBondContact N-O 3.2Å; Y99-L217 HydrophobicContact CD2-CD2 4.09Å; Y99-L217 HydrophobicContact CG-CD2 4.5Å; Y99-Y218 PolarHBondContact O-N 2.9Å
100Q89Confident91.8Very high102 Ų10262.5 Ų62.548%0.47732%0.315SS..  trans-113.659.2-179.9-57.8-169.3-0.800110.5Y218 A456Q100-Y218 WeakPolarHBondContact CA-O 3.27Å; Q100-Y218 HydrophobicContact CG-CD1 3.86Å; Q100-A456 HydrophobicContact CB-CB 4.31Å; Q100-A456 HydrophobicContact CG-CB 4.21Å
101E83.4Confident92.2Very high92 Ų9257.8 Ų57.843%0.4329%0.29SS..SBendtrans-129.6175.8-175.7-63.5175.9-116.800109.1K103 K106E101-K103 PolarHBondContact O-N 3.4Å; E101-K106 HydrophobicContact CB-CB 4.49Å; E101-K106 IonicContact OE1-NZ 3.4Å
102T89.9Confident92.4Very high71 Ų7158.6 Ų58.644%0.43630%0.302SS..  trans-53.9110.8173.5-45.20000109.6L104 E105 K106 E219T102-L104 VanDerWaalsContact C-N 3.25Å; T102-L104 PolarHBondContact O-N 3Å; T102-L104 VanDerWaalsContact O-N 3.13Å; T102-E105 WeakPolarHBondContact CB-OE2 3.26Å; T102-E105 HydrophobicContact CG2-CB 4.45Å; T102-E105 HydrophobicContact CG2-CG 3.92Å; T102-E105 PolarHBondContact O-N 3.46Å; T102-E105 VanDerWaalsContact O-N 3.11Å; T102-E105 PolarHBondContact OG1-OE2 3.24Å; T102-K106 PolarHBondContact O-N 3.02Å; T102-E219 WeakPolarHBondContact CA-OE1 3.36Å
103K92.9Very high92.4Very high4 Ų455.1 Ų55.12%0.01728%0.279CS..Hα-helixtrans-53.7-42.2-170.7-77173.4168.8-163.20113E101 L107 Y189 D190 L217 E219 D222E101-K103 PolarHBondContact O-N 3.4Å; K103-L107 WeakPolarHBondContact O-CB 3.33Å; K103-L107 PolarHBondContact O-N 2.85Å; K103-Y189 HydrophobicContact CB-CD2 4.33Å; K103-Y189 HydrophobicContact CB-CE1 4.32Å; K103-Y189 HydrophobicContact CB-CE2 3.62Å; K103-Y189 HydrophobicContact CD-CD1 4.41Å; K103-Y189 HydrophobicContact CD-CE1 4.02Å; K103-Y189 WeakPolarHBondContact CD-O 3.33Å; K103-Y189 WeakPolarHBondContact CE-O 3.22Å; K103-Y189 PolarHBondContact NZ-O 3.13Å; K103-D190 IonicContact NZ-OD1 2.97Å; K103-D190 PolarHBondContact NZ-OD1 3.09Å; K103-L217 WeakPolarHBondContact CE-O 3.43Å; K103-L217 HydrophobicContact CG-CB 3.96Å; K103-E219 HydrophobicContact CD-CB 4.31Å; K103-E219 HydrophobicContact CD-CG 4.02Å; K103-E219 HydrophobicContact CG-CG 3.78Å; K103-E219 WeakPolarHBondContact CG-OE1 3.33Å; K103-E219 PolarHBondContact N-OE1 3.1Å; K103-D222 WeakPolarHBondContact CE-OD2 3.36Å; K103-D222 IonicContact NZ-OD1 2.64Å; K103-D222 PolarHBondContact NZ-OD1 3.07Å; K103-D222 IonicContact NZ-OD2 3.89Å; K103-D222 PolarHBondContact NZ-OD2 2.81Å
104L93.3Very high92.4Very high67 Ų6754.9 Ų54.935%0.35128%0.277SS..Hα-helixtrans-68.4-42.2-177-172.463.5000112.3T102 L107 Q108 L131 T134 F135T102-L104 VanDerWaalsContact C-N 3.25Å; T102-L104 PolarHBondContact O-N 3Å; T102-L104 VanDerWaalsContact O-N 3.13Å; L104-L107 PolarHBondContact O-N 2.77Å; L104-Q108 WeakPolarHBondContact O-CB 3.12Å; L104-Q108 PolarHBondContact O-N 3.4Å; L104-L131 HydrophobicContact CD1-CD2 3.97Å; L104-T134 HydrophobicContact CD1-CG2 4.38Å; L104-F135 HydrophobicContact CD1-CE2 4.24Å; L104-F135 HydrophobicContact CD1-CZ 4.03Å
105E92.7Very high92.2Very high131 Ų13158.4 Ų58.461%0.61229%0.294SS*.Hα-helixtrans-66.6-46.9178.8-62.7174.9159.100109.8T102 L107 Q108 E109T102-E105 WeakPolarHBondContact CB-OE2 3.26Å; T102-E105 HydrophobicContact CG2-CB 4.45Å; T102-E105 HydrophobicContact CG2-CG 3.92Å; T102-E105 PolarHBondContact O-N 3.46Å; T102-E105 VanDerWaalsContact O-N 3.11Å; T102-E105 PolarHBondContact OG1-OE2 3.24Å; E105-L107 VanDerWaalsContact C-N 3.35Å; E105-L107 PolarHBondContact O-N 3.4Å; E105-Q108 WeakPolarHBondContact O-CB 3.1Å; E105-Q108 PolarHBondContact O-N 2.86Å; E105-E109 PolarHBondContact O-N 3.19Å
106K95Very high92.1Very high16 Ų1657.4 Ų57.47%0.0729%0.293CS..Hα-helixtrans-64.9-39.8177.5-167.657.2171-174.80112.1Y99 E101 T102 Q108 E109 L110 L217Y99-K106 HydrophobicContact CD1-CD 4.41Å; Y99-K106 HydrophobicContact CD2-CG 4.29Å; Y99-K106 VanDerWaalsContact CE1-CE 3.45Å; Y99-K106 HydrophobicContact CG-CD 4.32Å; Y99-K106 HydrophobicContact CG-CG 4.05Å; E101-K106 HydrophobicContact CB-CB 4.49Å; E101-K106 IonicContact OE1-NZ 3.4Å; T102-K106 PolarHBondContact O-N 3.02Å; K106-Q108 VanDerWaalsContact C-N 3.33Å; K106-Q108 PolarHBondContact O-N 3.38Å; K106-E109 VanDerWaalsContact CD-OE2 3.31Å; K106-E109 WeakPolarHBondContact CD-OE2 3.36Å; K106-E109 IonicContact NZ-OE1 3.79Å; K106-E109 PolarHBondContact NZ-OE1 3.43Å; K106-E109 IonicContact NZ-OE2 3.84Å; K106-E109 PolarHBondContact NZ-OE2 2.73Å; K106-E109 WeakPolarHBondContact O-CB 3.27Å; K106-E109 PolarHBondContact O-N 3.41Å; K106-L110 HydrophobicContact CD-CG 4.49Å; K106-L110 HydrophobicContact CG-CD1 4.08Å; K106-L110 HydrophobicContact CG-CG 4.36Å; K106-L110 WeakPolarHBondContact O-CB 3.39Å; K106-L110 WeakPolarHBondContact O-CG 3.37Å; K106-L110 PolarHBondContact O-N 2.87Å; K106-L217 HydrophobicContact CB-CD2 4.25Å; K106-L217 HydrophobicContact CG-CD2 3.8Å
107L96Very high92.1Very high0 Ų053.1 Ų53.10%028%0.277CS..Hα-helixtrans-61.2-42.7174.8-177.864.8000111.4K103 L104 E105 L110 I111 I120 L131 F135 I187 Y189 L217K103-L107 WeakPolarHBondContact O-CB 3.33Å; K103-L107 PolarHBondContact O-N 2.85Å; L104-L107 PolarHBondContact O-N 2.77Å; E105-L107 VanDerWaalsContact C-N 3.35Å; E105-L107 PolarHBondContact O-N 3.4Å; L107-L110 PolarHBondContact O-N 2.98Å; L107-I111 HydrophobicContact CD1-CD1 3.78Å; L107-I111 HydrophobicContact CD1-CG1 3.9Å; L107-I111 HydrophobicContact CD2-CD1 4.13Å; L107-I111 HydrophobicContact CG-CD1 3.62Å; L107-I111 HydrophobicContact CG-CG1 4.14Å; L107-I111 WeakPolarHBondContact O-CB 3.47Å; L107-I111 WeakPolarHBondContact O-CG1 3.44Å; L107-I111 PolarHBondContact O-N 3.47Å; L107-I120 HydrophobicContact CD1-CD1 3.91Å; L107-I120 HydrophobicContact CD1-CG1 4.35Å; L107-I120 HydrophobicContact CD1-CG2 4.36Å; L107-L131 HydrophobicContact CD2-CD1 3.79Å; L107-L131 HydrophobicContact CD2-CD2 3.94Å; L107-L131 HydrophobicContact CD2-CG 4.39Å; L107-F135 HydrophobicContact CD2-CD2 4.41Å; L107-F135 HydrophobicContact CD2-CE2 3.5Å; L107-F135 HydrophobicContact CD2-CZ 4.04Å; L107-F135 HydrophobicContact CG-CE2 4.03Å; L107-F135 HydrophobicContact CG-CZ 4.13Å; L107-I187 HydrophobicContact CD1-CD1 4.04Å; L107-I187 HydrophobicContact CD1-CG2 4.01Å; L107-Y189 HydrophobicContact CB-CD2 4.34Å; L107-Y189 HydrophobicContact CB-CE2 4.26Å; L107-Y189 HydrophobicContact CD2-CD2 3.61Å; L107-Y189 HydrophobicContact CD2-CE2 3.77Å; L107-Y189 HydrophobicContact CG-CD2 4.4Å; L107-L217 HydrophobicContact CB-CD1 3.81Å; L107-L217 HydrophobicContact CD1-CD1 4.19Å
108Q94.8Very high92.2Very high93 Ų9349.9 Ų49.944%0.43526%0.263SS..Hα-helixtrans-62.4-43.5177.6-179.5174.4-16.200111.7L104 E105 K106 T112 F135L104-Q108 WeakPolarHBondContact O-CB 3.12Å; L104-Q108 PolarHBondContact O-N 3.4Å; E105-Q108 WeakPolarHBondContact O-CB 3.1Å; E105-Q108 PolarHBondContact O-N 2.86Å; K106-Q108 VanDerWaalsContact C-N 3.33Å; K106-Q108 PolarHBondContact O-N 3.38Å; Q108-T112 WeakPolarHBondContact O-CB 3.44Å; Q108-T112 PolarHBondContact O-N 2.66Å; Q108-T112 PolarHBondContact O-OG1 3.29Å; Q108-F135 HydrophobicContact CB-CE1 3.83Å; Q108-F135 HydrophobicContact CB-CZ 4.17Å; Q108-F135 HydrophobicContact CG-CE1 4.09Å
109E93.4Very high92.3Very high89 Ų8946.7 Ų46.742%0.41624%0.243SC..Hα-helixtrans-57-56.3173-175.6-161.3135.500110.5E105 K106 I111 T112 T113E105-E109 PolarHBondContact O-N 3.19Å; K106-E109 VanDerWaalsContact CD-OE2 3.31Å; K106-E109 WeakPolarHBondContact CD-OE2 3.36Å; K106-E109 IonicContact NZ-OE1 3.79Å; K106-E109 PolarHBondContact NZ-OE1 3.43Å; K106-E109 IonicContact NZ-OE2 3.84Å; K106-E109 PolarHBondContact NZ-OE2 2.73Å; K106-E109 WeakPolarHBondContact O-CB 3.27Å; K106-E109 PolarHBondContact O-N 3.41Å; E109-I111 PolarHBondContact O-N 3.37Å; E109-T112 WeakPolarHBondContact O-CA 3.41Å; E109-T112 WeakPolarHBondContact O-CB 3.39Å; E109-T112 PolarHBondContact O-N 2.9Å; E109-T113 HydrophobicContact CG-CG2 4.39Å; E109-T113 WeakPolarHBondContact O-CG2 3.44Å; E109-T113 PolarHBondContact O-N 3.02Å; E109-T113 PolarHBondContact O-OG1 2.96Å; E109-T113 VanDerWaalsContact O-OG1 3.06Å
110L94.5Very high92.6Very high6 Ų644.9 Ų44.93%0.03124%0.236CC..Hα-helixtrans-60.8-43.9-176.9-69.6172.8000113.1Y99 K106 L107 T112 T113 L114 I187 I215 L217Y99-L110 HydrophobicContact CD2-CD1 4.35Å; Y99-L110 HydrophobicContact CE2-CD1 4.4Å; Y99-L110 HydrophobicContact CE2-CD2 4.18Å; K106-L110 HydrophobicContact CD-CG 4.49Å; K106-L110 HydrophobicContact CG-CD1 4.08Å; K106-L110 HydrophobicContact CG-CG 4.36Å; K106-L110 WeakPolarHBondContact O-CB 3.39Å; K106-L110 WeakPolarHBondContact O-CG 3.37Å; K106-L110 PolarHBondContact O-N 2.87Å; L107-L110 PolarHBondContact O-N 2.98Å; L110-T112 PolarHBondContact O-N 3.12Å; L110-T113 PolarHBondContact O-N 3.22Å; L110-T113 PolarHBondContact O-OG1 2.98Å; L110-L114 HydrophobicContact CB-CD1 3.99Å; L110-L114 HydrophobicContact CD2-CD1 4.26Å; L110-L114 VanDerWaalsContact O-CB 3.22Å; L110-L114 WeakPolarHBondContact O-CB 3.39Å; L110-L114 WeakPolarHBondContact O-CD1 3.47Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.26Å; L110-I187 HydrophobicContact CB-CD1 4.13Å; L110-I187 HydrophobicContact CD1-CD1 4.37Å; L110-I215 HydrophobicContact CD1-CD1 4.23Å; L110-I215 HydrophobicContact CD1-CG2 3.79Å; L110-I215 HydrophobicContact CD2-CD1 3.97Å; L110-L217 HydrophobicContact CD1-CD2 3.78Å
111I92.5Very high92.9Very high1 Ų140.3 Ų40.31%0.00522%0.215CC..Hα-helixtrans-62.1-32177.5-71.8175.6000110.6L107 E109 I120 F135 H139 R166 I167L107-I111 HydrophobicContact CD1-CD1 3.78Å; L107-I111 HydrophobicContact CD1-CG1 3.9Å; L107-I111 HydrophobicContact CD2-CD1 4.13Å; L107-I111 HydrophobicContact CG-CD1 3.62Å; L107-I111 HydrophobicContact CG-CG1 4.14Å; L107-I111 WeakPolarHBondContact O-CB 3.47Å; L107-I111 WeakPolarHBondContact O-CG1 3.44Å; L107-I111 PolarHBondContact O-N 3.47Å; E109-I111 PolarHBondContact O-N 3.37Å; I111-I120 HydrophobicContact CD1-CD1 3.53Å; I111-I120 HydrophobicContact CG1-CD1 3.94Å; I111-F135 HydrophobicContact CD1-CD1 4.18Å; I111-F135 HydrophobicContact CD1-CD2 3.8Å; I111-F135 HydrophobicContact CD1-CE1 4.25Å; I111-F135 HydrophobicContact CD1-CE2 3.9Å; I111-F135 HydrophobicContact CD1-CG 3.97Å; I111-F135 HydrophobicContact CD1-CZ 4.12Å; I111-H139 HydrophobicContact CG2-CB 4.44Å; I111-H139 WeakPolarHBondContact CG2-CD2 3.23Å; I111-H139 WeakPolarHBondContact CG2-NE2 3.4Å; I111-R166 VanDerWaalsContact O-CZ 3.25Å; I111-R166 PolarHBondContact O-NH1 3.3Å; I111-R166 PolarHBondContact O-NH2 2.61Å; I111-I167 HydrophobicContact CB-CD1 4.26Å; I111-I167 HydrophobicContact CG1-CD1 4.02Å; I111-I167 HydrophobicContact CG2-CD1 3.58Å
112T91.6Very high93.4Very high82 Ų8236.2 Ų36.250%0.50320%0.196SC..Hα-helixtrans-79.8-38.8179.9-55.60000112.2Q108 E109 L110Q108-T112 WeakPolarHBondContact O-CB 3.44Å; Q108-T112 PolarHBondContact O-N 2.66Å; Q108-T112 PolarHBondContact O-OG1 3.29Å; E109-T112 WeakPolarHBondContact O-CA 3.41Å; E109-T112 WeakPolarHBondContact O-CB 3.39Å; E109-T112 PolarHBondContact O-N 2.9Å; L110-T112 PolarHBondContact O-N 3.12Å
113T90.6Very high93.3Very high45 Ų4534.2 Ų34.228%0.27619%0.187SC..Hα-helixtrans-87-39.3-173.855.90000113.4E109 L110 S535E109-T113 HydrophobicContact CG-CG2 4.39Å; E109-T113 WeakPolarHBondContact O-CG2 3.44Å; E109-T113 PolarHBondContact O-N 3.02Å; E109-T113 PolarHBondContact O-OG1 2.96Å; E109-T113 VanDerWaalsContact O-OG1 3.06Å; L110-T113 PolarHBondContact O-N 3.22Å; L110-T113 PolarHBondContact O-OG1 2.98Å; T113-S535 WeakPolarHBondContact O-CB 3.29Å; T113-S535 PolarHBondContact O-OG 3.16Å
114L91.7Very high93Very high17 Ų1735.5 Ų35.59%0.08920%0.195CC..  trans-67.3145.1-176-65171.3000111.3L110 R166 F185 I187 Q213 I215L110-L114 HydrophobicContact CB-CD1 3.99Å; L110-L114 HydrophobicContact CD2-CD1 4.26Å; L110-L114 VanDerWaalsContact O-CB 3.22Å; L110-L114 WeakPolarHBondContact O-CB 3.39Å; L110-L114 WeakPolarHBondContact O-CD1 3.47Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.26Å; L114-R166 PolarHBondContact O-NH2 3.3Å; L114-F185 HydrophobicContact CB-CD1 3.78Å; L114-F185 HydrophobicContact CB-CE1 3.84Å; L114-F185 HydrophobicContact CB-CG 4.27Å; L114-F185 HydrophobicContact CB-CZ 4.35Å; L114-F185 HydrophobicContact CD1-CB 3.96Å; L114-F185 HydrophobicContact CD1-CD1 4.13Å; L114-F185 HydrophobicContact CD1-CD2 3.91Å; L114-F185 HydrophobicContact CD1-CE2 4.41Å; L114-F185 HydrophobicContact CD1-CG 3.74Å; L114-I187 HydrophobicContact CD1-CD1 4.05Å; L114-Q213 VanDerWaalsContact CD2-NE2 3.34Å; L114-I215 HydrophobicContact CD1-CD1 3.66Å; L114-I215 HydrophobicContact CD2-CD1 4.43Å
115E90Very high92.8Very high82 Ų8236.8 Ų36.838%0.38320%0.195SC..  trans-107.2160.4176.2-65.7-162.6161.300112.5R184E115-R184 WeakPolarHBondContact O-CB 3.46Å
116G90.8Very high92.7Very high36 Ų3635.7 Ų35.737%0.37119%0.189SC..SBendtrans76.3-167.9-179.800000114.4R166 F185G116-R166 WeakPolarHBondContact O-CG 3.4Å; G116-R166 PolarHBondContact O-NE 2.81Å; G116-F185 WeakPolarHBondContact O-CE1 3.05Å
117S94.3Very high92.6Very high9 Ų937 Ų376%0.06319%0.194CC..EExtended strand (participates in β ladder)trans-87.3139.4-172.2-590000111.2D163 R166 I183 R184S117-D163 PolarHBondContact OG-OD1 3.09Å; S117-R166 CarbonylContact C-O 3.46Å; S117-R166 WeakPolarHBondContact CA-O 3.45Å; S117-I183 CarbonylContact O-C 3.55Å; S117-I183 WeakPolarHBondContact O-CA 3.37Å; S117-R184 PolarHBondContact O-N 3.14Å
118G95.4Very high92.5Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-147165.4-175.500000115.3F160 R166 I167 L168 F185G118-F160 WeakPolarHBondContact O-CE2 3.44Å; G118-F160 WeakPolarHBondContact O-CZ 3.49Å; G118-R166 PolarHBondContact N-O 2.69Å; G118-I167 VanDerWaalsContact O-CA 3.32Å; G118-I167 WeakPolarHBondContact O-CA 3.38Å; G118-L168 PolarHBondContact O-N 3.19Å; G118-F185 CarbonylContact C-O 3.44Å; G118-F185 WeakPolarHBondContact CA-O 3.15Å
119I95.9Very high92.4Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-120.8136.3179.1-57.8167.7000108.4Y121 F160 L168 A170 F174 I183 F185 V186 I187 R204I119-Y121 HydrophobicContact CB-CE2 4.29Å; I119-Y121 HydrophobicContact CG2-CD1 4.46Å; I119-Y121 HydrophobicContact CG2-CD2 3.87Å; I119-Y121 HydrophobicContact CG2-CE1 4.15Å; I119-Y121 HydrophobicContact CG2-CE2 3.5Å; I119-Y121 VanDerWaalsContact CG2-CE2 3.5Å; I119-Y121 HydrophobicContact CG2-CG 4.33Å; I119-F160 HydrophobicContact CD1-CE1 4.35Å; I119-F160 HydrophobicContact CG1-CE1 4.05Å; I119-F160 HydrophobicContact CG1-CZ 3.81Å; I119-L168 CarbonylContact C-O 3.57Å; I119-L168 WeakPolarHBondContact CA-O 3.36Å; I119-A170 HydrophobicContact CG2-CB 4.44Å; I119-F174 HydrophobicContact CD1-CD1 4.22Å; I119-F174 HydrophobicContact CD1-CE1 3.67Å; I119-F174 HydrophobicContact CG1-CE1 4.02Å; I119-F174 HydrophobicContact CG2-CD1 4.24Å; I119-F174 HydrophobicContact CG2-CE1 4.39Å; I119-I183 HydrophobicContact CD1-CD1 3.69Å; I119-I183 HydrophobicContact CD1-CG2 4.39Å; I119-I183 HydrophobicContact CG1-CD1 4.48Å; I119-I183 HydrophobicContact CG1-CG2 4.45Å; I119-F185 PolarHBondContact N-O 3.12Å; I119-V186 HydrophobicContact CB-CG2 4.48Å; I119-V186 CarbonylContact O-C 3.59Å; I119-V186 WeakPolarHBondContact O-CA 3.34Å; I119-I187 PolarHBondContact O-N 3.02Å; I119-R204 HydrophobicContact CD1-CB 4.36Å
120I96.8Very high92.5Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-113.8112.9171.3-58.5167.5000108.2L107 I111 L131 I167 L168 I169 A170 I187L107-I120 HydrophobicContact CD1-CD1 3.91Å; L107-I120 HydrophobicContact CD1-CG1 4.35Å; L107-I120 HydrophobicContact CD1-CG2 4.36Å; I111-I120 HydrophobicContact CD1-CD1 3.53Å; I111-I120 HydrophobicContact CG1-CD1 3.94Å; I120-L131 HydrophobicContact CG2-CD1 4.36Å; I120-I167 HydrophobicContact CD1-CG2 3.53Å; I120-I167 HydrophobicContact CG1-CG2 3.79Å; I120-L168 PolarHBondContact N-O 3.27Å; I120-I169 HydrophobicContact CB-CG1 4.32Å; I120-I169 HydrophobicContact CB-CG2 4.32Å; I120-I169 HydrophobicContact CD1-CG1 4.11Å; I120-I169 HydrophobicContact CG2-CG2 4.39Å; I120-I169 CarbonylContact O-C 3.54Å; I120-I169 WeakPolarHBondContact O-CA 3.32Å; I120-A170 PolarHBondContact O-N 2.96Å; I120-I187 CarbonylContact C-O 3.48Å; I120-I187 VanDerWaalsContact CA-O 3.23Å; I120-I187 WeakPolarHBondContact CA-O 3.5Å; I120-I187 HydrophobicContact CG1-CB 4.24Å; I120-I187 HydrophobicContact CG1-CD1 4.34Å
121Y95.4Very high92.5Very high5 Ų535.9 Ų35.92%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-89.1131.3176.4-76.4-69.9000111.7I119 A170 F174 V186 I187 H188 Y189 E201 R204I119-Y121 HydrophobicContact CB-CE2 4.29Å; I119-Y121 HydrophobicContact CG2-CD1 4.46Å; I119-Y121 HydrophobicContact CG2-CD2 3.87Å; I119-Y121 HydrophobicContact CG2-CE1 4.15Å; I119-Y121 HydrophobicContact CG2-CE2 3.5Å; I119-Y121 VanDerWaalsContact CG2-CE2 3.5Å; I119-Y121 HydrophobicContact CG2-CG 4.33Å; Y121-A170 CarbonylContact C-O 3.47Å; Y121-A170 VanDerWaalsContact CA-O 3.31Å; Y121-A170 WeakPolarHBondContact CA-O 3.33Å; Y121-A170 HydrophobicContact CD1-CB 4.32Å; Y121-A170 HydrophobicContact CE1-CB 4.21Å; Y121-F174 HydrophobicContact CE1-CB 4.41Å; Y121-F174 PolarHBondContact OH-O 3.41Å; Y121-V186 HydrophobicContact CD2-CG1 3.71Å; Y121-V186 HydrophobicContact CE2-CG1 3.82Å; Y121-I187 PolarHBondContact N-O 3.48Å; Y121-H188 AromaticContact CD2-NE2 3.75Å; Y121-Y189 WeakPolarHBondContact O-CB 3.42Å; Y121-Y189 PolarHBondContact O-N 2.74Å; Y121-E201 HydrophobicContact CD2-CB 3.98Å; Y121-E201 HydrophobicContact CD2-CG 4.21Å; Y121-E201 HydrophobicContact CE1-CG 4.19Å; Y121-E201 HydrophobicContact CE2-CB 3.6Å; Y121-E201 HydrophobicContact CE2-CG 3.82Å; Y121-R204 WeakPolarHBondContact OH-CD 3.41Å; Y121-R204 PolarHBondContact OH-NE 3.08Å
122C93.2Very high92.7Very high6 Ų638.6 Ų38.64%0.04120%0.199CC..  trans-127.3152.4172-43.60000109.8T124 K127 V128 L131 A170 D190C122-T124 VanDerWaalsContact C-N 3.33Å; C122-T124 PolarHBondContact O-N 3.02Å; C122-K127 HydrophobicContact CB-CB 4.06Å; C122-K127 HydrophobicContact CB-CG 3.86Å; C122-V128 HydrophobicContact CB-CG2 3.72Å; C122-L131 VanDerWaalsContact SG-CD1 3.52Å; C122-A170 PolarHBondContact N-O 3.42Å; C122-D190 WeakPolarHBondContact CA-OD2 3.31Å
123A87.7Confident92.9Very high30 Ų3039.3 Ų39.325%0.24820%0.197CC..SBendtrans-71.4-27.3-178.300000112.9D190 I225A123-D190 HydrophobicContact CB-CB 3.83Å; A123-D190 PolarHBondContact N-OD2 3.32Å; A123-I225 HydrophobicContact CB-CG2 3.67Å
124T86.6Confident93Very high30 Ų3040 Ų4018%0.18420%0.201CC..SBendtrans-129.2149.6-172710000113.6C122 K126 K127 V128C122-T124 VanDerWaalsContact C-N 3.33Å; C122-T124 PolarHBondContact O-N 3.02Å; T124-K126 VanDerWaalsContact C-N 3.29Å; T124-K126 PolarHBondContact O-N 3.35Å; T124-K127 PolarHBondContact O-N 3.35Å; T124-K127 WeakPolarHBondContact OG1-CB 3.25Å; T124-K127 PolarHBondContact OG1-N 2.98Å; T124-K127 VanDerWaalsContact OG1-N 3.16Å; T124-V128 WeakPolarHBondContact O-CG2 3.34Å; T124-V128 PolarHBondContact O-N 3.34Å
125R89.6Confident93.1Very high95 Ų9539.2 Ų39.236%0.35820%0.197SC..Hα-helixtrans-58.6-42174.6-53.4-172.4-174.9159.65.8111.9K127 V128 E129 H145 T171R125-K127 VanDerWaalsContact C-N 3.34Å; R125-K127 PolarHBondContact O-N 3.13Å; R125-V128 WeakPolarHBondContact O-CB 3.37Å; R125-V128 PolarHBondContact O-N 3Å; R125-E129 PolarHBondContact O-N 3.45Å; R125-H145 HydrophobicContact CB-CB 4.42Å; R125-H145 HydrophobicContact CG-CB 3.9Å; R125-T171 HydrophobicContact CG-CG2 4.38Å
126K90.1Very high93.2Very high108 Ų10838.1 Ų38.147%0.4719%0.191SC..Hα-helixtrans-57-46.5176.9-177.3-177.8175.5-173.30111.6T124 E129 E130T124-K126 VanDerWaalsContact C-N 3.29Å; T124-K126 PolarHBondContact O-N 3.35Å; K126-E129 PolarHBondContact O-N 2.9Å; K126-E130 VanDerWaalsContact O-CB 3.28Å; K126-E130 WeakPolarHBondContact O-CB 3.37Å; K126-E130 PolarHBondContact O-N 3.22Å
127K92.8Very high93.1Very high43 Ų4343 Ų4319%0.18720%0.204CC..Hα-helixtrans-65.7-42.1177.9-176.457.565.4-175.60111.4C122 T124 R125 E129 E130 L131 Y189C122-K127 HydrophobicContact CB-CB 4.06Å; C122-K127 HydrophobicContact CB-CG 3.86Å; T124-K127 PolarHBondContact O-N 3.35Å; T124-K127 WeakPolarHBondContact OG1-CB 3.25Å; T124-K127 PolarHBondContact OG1-N 2.98Å; T124-K127 VanDerWaalsContact OG1-N 3.16Å; R125-K127 VanDerWaalsContact C-N 3.34Å; R125-K127 PolarHBondContact O-N 3.13Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-E129 PolarHBondContact O-N 3.28Å; K127-E130 WeakPolarHBondContact CE-OE2 3.29Å; K127-E130 IonicContact NZ-OE1 3.98Å; K127-E130 PolarHBondContact NZ-OE1 2.8Å; K127-E130 IonicContact NZ-OE2 2.94Å; K127-E130 PolarHBondContact NZ-OE2 3.34Å; K127-E130 PolarHBondContact O-N 3.41Å; K127-L131 HydrophobicContact CD-CD1 4.31Å; K127-L131 HydrophobicContact CD-CD2 4.21Å; K127-L131 HydrophobicContact CD-CG 3.96Å; K127-L131 HydrophobicContact CG-CD1 4.28Å; K127-L131 HydrophobicContact CG-CG 4.32Å; K127-L131 WeakPolarHBondContact O-CG 3.38Å; K127-L131 PolarHBondContact O-N 3.42Å; K127-Y189 HydrophobicContact CD-CD1 4.06Å; K127-Y189 HydrophobicContact CD-CE1 3.62Å; K127-Y189 HydrophobicContact CG-CD1 3.97Å; K127-Y189 HydrophobicContact CG-CE1 4.04Å
128V94.2Very high92.7Very high0 Ų046.3 Ų46.30%022%0.219CC..Hα-helixtrans-54.9-49.5174.2164.20000111.6C122 T124 R125 Y132 Y143 I169 T171C122-V128 HydrophobicContact CB-CG2 3.72Å; T124-V128 WeakPolarHBondContact O-CG2 3.34Å; T124-V128 PolarHBondContact O-N 3.34Å; R125-V128 WeakPolarHBondContact O-CB 3.37Å; R125-V128 PolarHBondContact O-N 3Å; V128-Y132 WeakPolarHBondContact O-CB 3.35Å; V128-Y132 PolarHBondContact O-N 2.86Å; V128-Y143 VanDerWaalsContact CG1-CB 3.47Å; V128-Y143 HydrophobicContact CG1-CG 4.37Å; V128-I169 HydrophobicContact CB-CG2 4.22Å; V128-I169 HydrophobicContact CG1-CB 4.39Å; V128-I169 HydrophobicContact CG1-CG2 4.04Å; V128-I169 WeakPolarHBondContact CG1-O 3.46Å; V128-I169 HydrophobicContact CG2-CG2 4.18Å; V128-T171 HydrophobicContact CG2-CG2 3.74Å
129E93.6Very high92.3Very high85 Ų8547.5 Ų47.540%0.39722%0.224SC..Hα-helixtrans-66.4-41.7178.3-71.1177-148.600112.1R125 K126 K127 Y132 Q133 H145R125-E129 PolarHBondContact O-N 3.45Å; K126-E129 PolarHBondContact O-N 2.9Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-E129 PolarHBondContact O-N 3.28Å; E129-Y132 WeakPolarHBondContact O-CB 3.1Å; E129-Y132 PolarHBondContact O-N 3.38Å; E129-Q133 WeakPolarHBondContact O-CG 3.4Å; E129-Q133 PolarHBondContact O-N 2.81Å; E129-H145 IonicContact OE1-CE1 3.21Å; E129-H145 IonicContact OE1-NE2 2.7Å; E129-H145 PolarHBondContact OE1-NE2 3.26Å
130E94.8Very high92.1Very high79 Ų7948.9 Ų48.937%0.36924%0.236SC..Hα-helixtrans-58.5-49.3177.2-178-168.6151.700111.9K126 K127 Y132 Q133 T134K126-E130 VanDerWaalsContact O-CB 3.28Å; K126-E130 WeakPolarHBondContact O-CB 3.37Å; K126-E130 PolarHBondContact O-N 3.22Å; K127-E130 WeakPolarHBondContact CE-OE2 3.29Å; K127-E130 IonicContact NZ-OE1 3.98Å; K127-E130 PolarHBondContact NZ-OE1 2.8Å; K127-E130 IonicContact NZ-OE2 2.94Å; K127-E130 PolarHBondContact NZ-OE2 3.34Å; K127-E130 PolarHBondContact O-N 3.41Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-Y132 PolarHBondContact O-N 3Å; E130-Q133 PolarHBondContact O-N 3.42Å; E130-T134 PolarHBondContact O-N 3.24Å; E130-T134 PolarHBondContact O-OG1 2.94Å
131L95.8Very high91.9Very high0 Ų049.4 Ų49.40%024%0.238CC..Hα-helixtrans-65.2-39.3177.2-64.3-176.2000111L104 L107 I120 C122 K127 Q133 T134 F135 I169 Y189L104-L131 HydrophobicContact CD1-CD2 3.97Å; L107-L131 HydrophobicContact CD2-CD1 3.79Å; L107-L131 HydrophobicContact CD2-CD2 3.94Å; L107-L131 HydrophobicContact CD2-CG 4.39Å; I120-L131 HydrophobicContact CG2-CD1 4.36Å; C122-L131 VanDerWaalsContact SG-CD1 3.52Å; K127-L131 HydrophobicContact CD-CD1 4.31Å; K127-L131 HydrophobicContact CD-CD2 4.21Å; K127-L131 HydrophobicContact CD-CG 3.96Å; K127-L131 HydrophobicContact CG-CD1 4.28Å; K127-L131 HydrophobicContact CG-CG 4.32Å; K127-L131 WeakPolarHBondContact O-CG 3.38Å; K127-L131 PolarHBondContact O-N 3.42Å; L131-Q133 PolarHBondContact O-N 2.83Å; L131-T134 WeakPolarHBondContact O-CB 3.05Å; L131-T134 PolarHBondContact O-N 3.19Å; L131-F135 HydrophobicContact CB-CD2 4.43Å; L131-F135 HydrophobicContact CD2-CE2 4.24Å; L131-F135 WeakPolarHBondContact O-CD2 3.41Å; L131-F135 PolarHBondContact O-N 2.86Å; L131-I169 HydrophobicContact CB-CD1 3.88Å; L131-I169 HydrophobicContact CB-CG2 4.3Å; L131-I169 HydrophobicContact CD1-CG2 4.43Å; L131-Y189 HydrophobicContact CD1-CD1 4.2Å; L131-Y189 HydrophobicContact CD1-CD2 3.82Å; L131-Y189 HydrophobicContact CD1-CE2 4.13Å; L131-Y189 HydrophobicContact CD1-CG 3.83Å; L131-Y189 HydrophobicContact CD2-CD2 4.5Å; L131-Y189 HydrophobicContact CD2-CE2 3.98Å
132Y95.9Very high91.8Very high58 Ų5849.5 Ų49.523%0.22724%0.24CC..Hα-helixtrans-58.7-48.8173.6170.6-99.1000111.9V128 E129 E130 T134 F135 K136 I141 Y143V128-Y132 WeakPolarHBondContact O-CB 3.35Å; V128-Y132 PolarHBondContact O-N 2.86Å; E129-Y132 WeakPolarHBondContact O-CB 3.1Å; E129-Y132 PolarHBondContact O-N 3.38Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-Y132 PolarHBondContact O-N 3Å; Y132-T134 PolarHBondContact O-N 3.4Å; Y132-F135 PolarHBondContact O-N 2.84Å; Y132-K136 HydrophobicContact CD1-CD 4.4Å; Y132-K136 HydrophobicContact CD2-CB 4.29Å; Y132-K136 HydrophobicContact CE1-CB 4.26Å; Y132-K136 HydrophobicContact CE1-CD 3.85Å; Y132-K136 HydrophobicContact CE2-CB 3.92Å; Y132-K136 WeakPolarHBondContact O-CB 3.21Å; Y132-K136 PolarHBondContact O-N 3.09Å; Y132-I141 HydrophobicContact CD2-CD1 3.94Å; Y132-I141 HydrophobicContact CD2-CG1 3.77Å; Y132-I141 HydrophobicContact CE2-CG1 3.99Å; Y132-I141 WeakPolarHBondContact CE2-O 3.23Å; Y132-Y143 AromaticContact CD1-CD1 3.53Å; Y132-Y143 HydrophobicContact CD1-CD1 3.53Å; Y132-Y143 AromaticContact CD1-CE1 3.85Å; Y132-Y143 HydrophobicContact CD1-CE1 3.85Å; Y132-Y143 AromaticContact CD2-CD1 3.86Å; Y132-Y143 HydrophobicContact CD2-CD1 3.86Å; Y132-Y143 AromaticContact CE1-CD1 3.92Å; Y132-Y143 HydrophobicContact CE1-CD1 3.92Å; Y132-Y143 AromaticContact CE1-CE1 3.92Å; Y132-Y143 HydrophobicContact CE1-CE1 3.92Å; Y132-Y143 HydrophobicContact CE2-CD1 4.23Å; Y132-Y143 AromaticContact CG-CD1 3.5Å; Y132-Y143 HydrophobicContact CG-CD1 3.5Å; Y132-Y143 VanDerWaalsContact CG-CD1 3.5Å; Y132-Y143 HydrophobicContact CG-CE1 4.3Å; Y132-Y143 HydrophobicContact CG-CG 4.39Å
133Q94.9Very high91.8Very high98 Ų9852.4 Ų52.446%0.45825%0.251SS..Hα-helixtrans-59.7-34.9177.9-65.9-55.6-32.500112.2E129 E130 L131 K136E129-Q133 WeakPolarHBondContact O-CG 3.4Å; E129-Q133 PolarHBondContact O-N 2.81Å; E130-Q133 PolarHBondContact O-N 3.42Å; L131-Q133 PolarHBondContact O-N 2.83Å; Q133-K136 VanDerWaalsContact OE1-CE 3.22Å
134T94.3Very high91.9Very high59 Ų5951.9 Ų51.936%0.36224%0.243SC..Hα-helixtrans-67.4-45.5178.9-55.40000112L104 E130 L131 Y132L104-T134 HydrophobicContact CD1-CG2 4.38Å; E130-T134 PolarHBondContact O-N 3.24Å; E130-T134 PolarHBondContact O-OG1 2.94Å; L131-T134 WeakPolarHBondContact O-CB 3.05Å; L131-T134 PolarHBondContact O-N 3.19Å; Y132-T134 PolarHBondContact O-N 3.4Å
135F93.9Very high92.1Very high1 Ų150.9 Ų50.90%0.00424%0.236CC..Hα-helixtrans-102-9.1-170.4-62.7-65.5000115.1L104 L107 Q108 I111 L131 Y132 H137 Q138 H139 I141L104-F135 HydrophobicContact CD1-CE2 4.24Å; L104-F135 HydrophobicContact CD1-CZ 4.03Å; L107-F135 HydrophobicContact CD2-CD2 4.41Å; L107-F135 HydrophobicContact CD2-CE2 3.5Å; L107-F135 HydrophobicContact CD2-CZ 4.04Å; L107-F135 HydrophobicContact CG-CE2 4.03Å; L107-F135 HydrophobicContact CG-CZ 4.13Å; Q108-F135 HydrophobicContact CB-CE1 3.83Å; Q108-F135 HydrophobicContact CB-CZ 4.17Å; Q108-F135 HydrophobicContact CG-CE1 4.09Å; I111-F135 HydrophobicContact CD1-CD1 4.18Å; I111-F135 HydrophobicContact CD1-CD2 3.8Å; I111-F135 HydrophobicContact CD1-CE1 4.25Å; I111-F135 HydrophobicContact CD1-CE2 3.9Å; I111-F135 HydrophobicContact CD1-CG 3.97Å; I111-F135 HydrophobicContact CD1-CZ 4.12Å; L131-F135 HydrophobicContact CB-CD2 4.43Å; L131-F135 HydrophobicContact CD2-CE2 4.24Å; L131-F135 WeakPolarHBondContact O-CD2 3.41Å; L131-F135 PolarHBondContact O-N 2.86Å; Y132-F135 PolarHBondContact O-N 2.84Å; F135-H137 PolarHBondContact O-N 2.83Å; F135-Q138 PolarHBondContact O-N 3.36Å; F135-H139 PolarHBondContact O-N 2.93Å; F135-I141 HydrophobicContact CB-CD1 3.48Å; F135-I141 VanDerWaalsContact CB-CD1 3.48Å
136K91.6Very high91.7Very high59 Ų5948 Ų4826%0.25724%0.236SC..THydrogen-bonded Turntrans-59.6-25.4-171.965.7-179.9-171.8179.90114.5Y132 Q133 I141 K614Y132-K136 HydrophobicContact CD1-CD 4.4Å; Y132-K136 HydrophobicContact CD2-CB 4.29Å; Y132-K136 HydrophobicContact CE1-CB 4.26Å; Y132-K136 HydrophobicContact CE1-CD 3.85Å; Y132-K136 HydrophobicContact CE2-CB 3.92Å; Y132-K136 WeakPolarHBondContact O-CB 3.21Å; Y132-K136 PolarHBondContact O-N 3.09Å; Q133-K136 VanDerWaalsContact OE1-CE 3.22Å; K136-I141 HydrophobicContact CB-CD1 4.3Å; K136-I141 HydrophobicContact CB-CG1 4.36Å; K136-K614 PolarHBondContact O-NZ 3.3Å
137H88.3Confident91.3Very high139 Ų13945.3 Ų45.364%0.64424%0.239SC*.THydrogen-bonded Turntrans-83.5-18.3-179.7-63.7-64.8000113.2F135F135-H137 PolarHBondContact O-N 2.83Å
138Q85.8Confident90.8Very high78 Ų7844 Ų4436%0.36423%0.234SC..THydrogen-bonded Turntrans-106.4-23.9-172.4-63.1174.217.700113F135 L618F135-Q138 PolarHBondContact O-N 3.36Å; Q138-L618 WeakPolarHBondContact O-CD1 3.35Å; Q138-L618 VanDerWaalsContact O-CD2 3.29Å; Q138-L618 WeakPolarHBondContact O-CD2 3.24Å
139H87.8Confident90.1Very high24 Ų2446.6 Ų46.611%0.11125%0.252CS..SBendtrans-139.2153.1-173-56.8-73.1000112I111 F135 I141 K614I111-H139 HydrophobicContact CG2-CB 4.44Å; I111-H139 WeakPolarHBondContact CG2-CD2 3.23Å; I111-H139 WeakPolarHBondContact CG2-NE2 3.4Å; F135-H139 PolarHBondContact O-N 2.93Å; H139-I141 HydrophobicContact CB-CG2 3.46Å; H139-I141 VanDerWaalsContact CB-CG2 3.46Å; H139-I141 PolarHBondContact O-N 2.79Å; H139-K614 WeakPolarHBondContact O-CE 3.22Å; H139-K614 PolarHBondContact O-NZ 3.11Å
140A90.9Very high89.3Confident30 Ų3043.9 Ų43.925%0.24825%0.247CC..SBendtrans-72.591.2170.100000109.1R166 I167A140-R166 HydrophobicContact CB-CB 4.28Å; A140-R166 WeakPolarHBondContact O-CA 3.1Å; A140-R166 WeakPolarHBondContact O-CB 3.44Å; A140-R166 PolarHBondContact O-N 2.78Å; A140-I167 PolarHBondContact O-N 3Å; A140-I167 VanDerWaalsContact O-N 3.07Å
141I93.6Very high88.4Confident10 Ų1047 Ų475%0.05126%0.261CS..EExtended strand (participates in β ladder)trans-132.1153.3-173.172.8176.7000111.2Y132 F135 K136 H139 I167 I169Y132-I141 HydrophobicContact CD2-CD1 3.94Å; Y132-I141 HydrophobicContact CD2-CG1 3.77Å; Y132-I141 HydrophobicContact CE2-CG1 3.99Å; Y132-I141 WeakPolarHBondContact CE2-O 3.23Å; F135-I141 HydrophobicContact CB-CD1 3.48Å; F135-I141 VanDerWaalsContact CB-CD1 3.48Å; K136-I141 HydrophobicContact CB-CD1 4.3Å; K136-I141 HydrophobicContact CB-CG1 4.36Å; H139-I141 HydrophobicContact CB-CG2 3.46Å; H139-I141 VanDerWaalsContact CB-CG2 3.46Å; H139-I141 PolarHBondContact O-N 2.79Å; I141-I167 WeakPolarHBondContact CA-O 2.75Å; I141-I167 HydrophobicContact CB-CB 4.39Å; I141-I167 HydrophobicContact CG2-CB 3.79Å; I141-I167 HydrophobicContact CG2-CD1 4.35Å; I141-I167 HydrophobicContact CG2-CG1 4.48Å; I141-I169 HydrophobicContact CD1-CD1 4.11Å
142A92.3Very high87.8Confident8 Ų851.2 Ų51.27%0.06628%0.281CS..EExtended strand (participates in β ladder)trans-139.3171.8164.500000110.4L156 L165 I167 L168 I169A142-L156 HydrophobicContact CB-CD2 3.65Å; A142-L165 HydrophobicContact CB-CD1 3.59Å; A142-L165 HydrophobicContact CB-CD2 3.92Å; A142-L165 HydrophobicContact CB-CG 4.37Å; A142-I167 PolarHBondContact N-O 3.49Å; A142-I167 VanDerWaalsContact N-O 3.14Å; A142-L168 HydrophobicContact CB-CD1 3.89Å; A142-I169 PolarHBondContact O-N 3.43Å
143Y93.3Very high87.2Confident67 Ų6752.5 Ų52.526%0.26329%0.285SS..EExtended strand (participates in β ladder)trans-113.4150.5175.665.5-97.4000112.4V128 Y132 H145 L148 L156 I169V128-Y143 VanDerWaalsContact CG1-CB 3.47Å; V128-Y143 HydrophobicContact CG1-CG 4.37Å; Y132-Y143 AromaticContact CD1-CD1 3.53Å; Y132-Y143 HydrophobicContact CD1-CD1 3.53Å; Y132-Y143 AromaticContact CD1-CE1 3.85Å; Y132-Y143 HydrophobicContact CD1-CE1 3.85Å; Y132-Y143 AromaticContact CD2-CD1 3.86Å; Y132-Y143 HydrophobicContact CD2-CD1 3.86Å; Y132-Y143 AromaticContact CE1-CD1 3.92Å; Y132-Y143 HydrophobicContact CE1-CD1 3.92Å; Y132-Y143 AromaticContact CE1-CE1 3.92Å; Y132-Y143 HydrophobicContact CE1-CE1 3.92Å; Y132-Y143 HydrophobicContact CE2-CD1 4.23Å; Y132-Y143 AromaticContact CG-CD1 3.5Å; Y132-Y143 HydrophobicContact CG-CD1 3.5Å; Y132-Y143 VanDerWaalsContact CG-CD1 3.5Å; Y132-Y143 HydrophobicContact CG-CE1 4.3Å; Y132-Y143 HydrophobicContact CG-CG 4.39Å; Y143-H145 AromaticContact CD2-CD2 3.73Å; Y143-H145 AromaticContact CD2-NE2 3.45Å; Y143-H145 WeakPolarHBondContact CD2-NE2 3.44Å; Y143-H145 AromaticContact CE2-CE1 4Å; Y143-H145 AromaticContact CE2-NE2 3.37Å; Y143-H145 WeakPolarHBondContact CE2-NE2 3.13Å; Y143-L148 HydrophobicContact CD2-CD1 4.3Å; Y143-L148 HydrophobicContact CE2-CD1 4.27Å; Y143-L148 HydrophobicContact CE2-CD2 3.76Å; Y143-L148 HydrophobicContact CE2-CG 4.24Å; Y143-L148 WeakPolarHBondContact O-CD1 3.22Å; Y143-L156 WeakPolarHBondContact O-CD1 3.12Å; Y143-I169 CarbonylContact C-O 3.54Å; Y143-I169 WeakPolarHBondContact CA-O 3.24Å
144Y89.9Confident86.6Confident19 Ų1955.3 Ų55.38%0.07529%0.292CS..EExtended strand (participates in β ladder)trans-138.9120.5180-169-72.6000112.1R153 L168 I169 A170 T171 F174Y144-R153 HydrophobicContact CD2-CG 4.29Å; Y144-R153 HydrophobicContact CE1-CG 4.29Å; Y144-R153 HydrophobicContact CE2-CB 3.61Å; Y144-R153 HydrophobicContact CE2-CG 3.67Å; Y144-R153 WeakPolarHBondContact OH-CD 3.04Å; Y144-L168 HydrophobicContact CD2-CD2 4.32Å; Y144-L168 HydrophobicContact CG-CD2 4.28Å; Y144-I169 PolarHBondContact N-O 3.27Å; Y144-A170 VanDerWaalsContact O-CA 3.24Å; Y144-A170 WeakPolarHBondContact O-CA 3.25Å; Y144-T171 PolarHBondContact O-N 3.05Å; Y144-T171 VanDerWaalsContact O-N 3.08Å; Y144-F174 HydrophobicContact CD1-CB 3.66Å; Y144-F174 AromaticContact CD1-CD2 3.53Å; Y144-F174 HydrophobicContact CD1-CD2 3.53Å; Y144-F174 HydrophobicContact CD1-CG 4.05Å; Y144-F174 AromaticContact CD2-CD2 3.58Å; Y144-F174 HydrophobicContact CD2-CD2 3.58Å; Y144-F174 AromaticContact CD2-CE2 3.87Å; Y144-F174 HydrophobicContact CD2-CE2 3.87Å; Y144-F174 HydrophobicContact CE1-CB 4.03Å; Y144-F174 AromaticContact CE1-CD2 3.77Å; Y144-F174 HydrophobicContact CE1-CD2 3.77Å; Y144-F174 HydrophobicContact CE1-CG 4.42Å; Y144-F174 AromaticContact CE2-CD2 3.77Å; Y144-F174 HydrophobicContact CE2-CD2 3.77Å; Y144-F174 HydrophobicContact CE2-CE2 4.1Å; Y144-F174 HydrophobicContact CG-CB 4.26Å; Y144-F174 AromaticContact CG-CD2 3.43Å; Y144-F174 HydrophobicContact CG-CD2 3.43Å; Y144-F174 VanDerWaalsContact CG-CD2 3.43Å; Y144-F174 HydrophobicContact CG-CE2 4.11Å; Y144-F174 HydrophobicContact CG-CG 4.22Å; Y144-F174 AromaticContact CZ-CD2 3.86Å
145H90Very high86.2Confident9 Ų957.4 Ų57.44%0.04230%0.298CS..  trans-152.4168173.855.754.8000112.4R125 E129 Y143 G147 L148 T171R125-H145 HydrophobicContact CB-CB 4.42Å; R125-H145 HydrophobicContact CG-CB 3.9Å; E129-H145 IonicContact OE1-CE1 3.21Å; E129-H145 IonicContact OE1-NE2 2.7Å; E129-H145 PolarHBondContact OE1-NE2 3.26Å; Y143-H145 AromaticContact CD2-CD2 3.73Å; Y143-H145 AromaticContact CD2-NE2 3.45Å; Y143-H145 WeakPolarHBondContact CD2-NE2 3.44Å; Y143-H145 AromaticContact CE2-CE1 4Å; Y143-H145 AromaticContact CE2-NE2 3.37Å; Y143-H145 WeakPolarHBondContact CE2-NE2 3.13Å; H145-G147 PolarHBondContact ND1-N 2.55Å; H145-G147 PolarHBondContact O-N 2.83Å; H145-L148 PolarHBondContact O-N 3.03Å; H145-L148 VanDerWaalsContact O-N 3.09Å; H145-T171 WeakPolarHBondContact CA-OG1 3.45Å; H145-T171 HydrophobicContact CB-CG2 4.1Å; H145-T171 WeakPolarHBondContact CB-OG1 3.46Å
146G81.3Confident85.8Confident35 Ų3558.3 Ų58.336%0.36130%0.303SS..THydrogen-bonded Turntrans-58.6-18.6-177.600000115.8L148G146-L148 VanDerWaalsContact C-N 3.34Å
147G82.6Confident85.5Confident51 Ų5157.5 Ų57.553%0.52630%0.3SS..THydrogen-bonded Turntrans-75.3-12.3175.300000115.9H145H145-G147 PolarHBondContact ND1-N 2.55Å; H145-G147 PolarHBondContact O-N 2.83Å
148L81.8Confident85.3Confident16 Ų1655.7 Ų55.78%0.08429%0.292CS..SBendtrans-77.7145.4177.7-70.9176.4000111.5Y143 H145 G146 E152 R153 L156Y143-L148 HydrophobicContact CD2-CD1 4.3Å; Y143-L148 HydrophobicContact CE2-CD1 4.27Å; Y143-L148 HydrophobicContact CE2-CD2 3.76Å; Y143-L148 HydrophobicContact CE2-CG 4.24Å; Y143-L148 WeakPolarHBondContact O-CD1 3.22Å; H145-L148 PolarHBondContact O-N 3.03Å; H145-L148 VanDerWaalsContact O-N 3.09Å; G146-L148 VanDerWaalsContact C-N 3.34Å; L148-E152 HydrophobicContact CB-CB 4.32Å; L148-E152 HydrophobicContact CD2-CB 4.43Å; L148-R153 HydrophobicContact CB-CG 3.63Å; L148-R153 HydrophobicContact CD1-CG 4.36Å; L148-R153 PolarHBondContact O-NE 2.7Å; L148-R153 VanDerWaalsContact O-NE 3.16Å; L148-L156 HydrophobicContact CD1-CD1 3.69Å
149S80.2Confident85.5Confident54 Ų5454.1 Ų54.138%0.37829%0.285SS..  trans-59.7156.7174.6720000111.2Q151 E152 R153S149-Q151 PolarHBondContact O-N 3.46Å; S149-E152 WeakPolarHBondContact CB-OE2 3.43Å; S149-E152 PolarHBondContact N-OE2 3.27Å; S149-E152 PolarHBondContact O-N 3.46Å; S149-E152 WeakPolarHBondContact OG-CB 3.47Å; S149-E152 VanDerWaalsContact OG-CD 3.26Å; S149-E152 VanDerWaalsContact OG-CG 3.22Å; S149-E152 WeakPolarHBondContact OG-CG 3.42Å; S149-E152 PolarHBondContact OG-N 3.03Å; S149-E152 VanDerWaalsContact OG-N 3.15Å; S149-E152 PolarHBondContact OG-OE2 3.1Å; S149-R153 WeakPolarHBondContact O-CG 3.47Å; S149-R153 PolarHBondContact O-N 3.37Å
150G76.2Confident85.6Confident28 Ų2853 Ų5329%0.28928%0.28SS..Hα-helixtrans-59.2-30.4176.400000113R154G150-R154 WeakPolarHBondContact O-CG 3.46Å; G150-R154 PolarHBondContact O-N 3.04Å; G150-R154 PolarHBondContact O-NE 3.47Å; G150-R154 PolarHBondContact O-NH1 2.86Å
151Q76.4Confident85.4Confident145 Ų14554 Ų5468%0.67828%0.28SS*.Hα-helixtrans-72.7-47.3177.6-176.4174.9-7.600111.8S149 R153 R154 M155S149-Q151 PolarHBondContact O-N 3.46Å; Q151-R153 PolarHBondContact O-N 3.37Å; Q151-R154 PolarHBondContact O-N 3.36Å; Q151-M155 PolarHBondContact O-N 3.32Å
152E83.9Confident85.1Confident87 Ų8753.9 Ų53.941%0.40728%0.281SS..Hα-helixtrans-60.3-45.5176.5-71.2162.5132.900111.4L148 S149 R154 M155 L156L148-E152 HydrophobicContact CB-CB 4.32Å; L148-E152 HydrophobicContact CD2-CB 4.43Å; S149-E152 WeakPolarHBondContact CB-OE2 3.43Å; S149-E152 PolarHBondContact N-OE2 3.27Å; S149-E152 PolarHBondContact O-N 3.46Å; S149-E152 WeakPolarHBondContact OG-CB 3.47Å; S149-E152 VanDerWaalsContact OG-CD 3.26Å; S149-E152 VanDerWaalsContact OG-CG 3.22Å; S149-E152 WeakPolarHBondContact OG-CG 3.42Å; S149-E152 PolarHBondContact OG-N 3.03Å; S149-E152 VanDerWaalsContact OG-N 3.15Å; S149-E152 PolarHBondContact OG-OE2 3.1Å; E152-R154 VanDerWaalsContact C-N 3.32Å; E152-R154 PolarHBondContact O-N 3.06Å; E152-M155 PolarHBondContact O-N 2.83Å; E152-L156 WeakPolarHBondContact O-CG 3.47Å; E152-L156 PolarHBondContact O-N 3.48Å
153R82.4Confident84.9Confident86 Ų8657.3 Ų57.333%0.32530%0.298SS..Hα-helixtrans-58.2-42.8177.1-74.4-171.4-73.3161.4-4.3112.4Y144 L148 S149 Q151 Q157Y144-R153 HydrophobicContact CD2-CG 4.29Å; Y144-R153 HydrophobicContact CE1-CG 4.29Å; Y144-R153 HydrophobicContact CE2-CB 3.61Å; Y144-R153 HydrophobicContact CE2-CG 3.67Å; Y144-R153 WeakPolarHBondContact OH-CD 3.04Å; L148-R153 HydrophobicContact CB-CG 3.63Å; L148-R153 HydrophobicContact CD1-CG 4.36Å; L148-R153 PolarHBondContact O-NE 2.7Å; L148-R153 VanDerWaalsContact O-NE 3.16Å; S149-R153 WeakPolarHBondContact O-CG 3.47Å; S149-R153 PolarHBondContact O-N 3.37Å; Q151-R153 PolarHBondContact O-N 3.37Å; R153-Q157 VanDerWaalsContact O-CB 3.26Å; R153-Q157 WeakPolarHBondContact O-CB 3.49Å; R153-Q157 PolarHBondContact O-N 3.39Å
154R81.3Confident84.5Confident157 Ų15755.1 Ų55.159%0.59229%0.291SS*.Hα-helixtrans-64.3-45.7176.1-77.2-174-62.6-92.84.5111.5G150 Q151 E152 Q157 Q158G150-R154 WeakPolarHBondContact O-CG 3.46Å; G150-R154 PolarHBondContact O-N 3.04Å; G150-R154 PolarHBondContact O-NE 3.47Å; G150-R154 PolarHBondContact O-NH1 2.86Å; Q151-R154 PolarHBondContact O-N 3.36Å; E152-R154 VanDerWaalsContact C-N 3.32Å; E152-R154 PolarHBondContact O-N 3.06Å; R154-Q157 PolarHBondContact O-N 3.11Å; R154-Q158 WeakPolarHBondContact O-CG 3.22Å; R154-Q158 PolarHBondContact O-N 3.24Å
155M85.9Confident84.5Confident102 Ų10255 Ų5550%0.50229%0.292SS..Hα-helixtrans-59-51.1179.5-176.6-175.876.400111.6Q151 E152 Q157 Q158 Q159Q151-M155 PolarHBondContact O-N 3.32Å; E152-M155 PolarHBondContact O-N 2.83Å; M155-Q157 VanDerWaalsContact C-N 3.33Å; M155-Q157 PolarHBondContact O-N 3.16Å; M155-Q158 PolarHBondContact O-N 3.07Å; M155-Q159 WeakPolarHBondContact O-CG 3.25Å; M155-Q159 PolarHBondContact O-N 3.03Å
156L87.1Confident84.7Confident20 Ų2056.8 Ų56.811%0.10530%0.298CS..Hα-helixtrans-63.4-38.7179.1-66.5177.6000112.4A142 Y143 L148 E152 Q158 Q159 F160 L165A142-L156 HydrophobicContact CB-CD2 3.65Å; Y143-L156 WeakPolarHBondContact O-CD1 3.12Å; L148-L156 HydrophobicContact CD1-CD1 3.69Å; E152-L156 WeakPolarHBondContact O-CG 3.47Å; E152-L156 PolarHBondContact O-N 3.48Å; L156-Q158 VanDerWaalsContact C-N 3.33Å; L156-Q158 PolarHBondContact O-N 2.78Å; L156-Q159 PolarHBondContact O-N 3.31Å; L156-F160 WeakPolarHBondContact O-CB 3.33Å; L156-F160 PolarHBondContact O-N 3.3Å; L156-L165 HydrophobicContact CD2-CD1 4.18Å
157Q84.5Confident85.3Confident43 Ų4355.1 Ų55.120%0.20128%0.281CS..Hα-helixtrans-62.3-41.2175.4-179.3177.4-16.600111.5R153 R154 M155 F160 L161 I178R153-Q157 VanDerWaalsContact O-CB 3.26Å; R153-Q157 WeakPolarHBondContact O-CB 3.49Å; R153-Q157 PolarHBondContact O-N 3.39Å; R154-Q157 PolarHBondContact O-N 3.11Å; M155-Q157 VanDerWaalsContact C-N 3.33Å; M155-Q157 PolarHBondContact O-N 3.16Å; Q157-F160 PolarHBondContact O-N 3.26Å; Q157-L161 HydrophobicContact CG-CD1 4.05Å; Q157-L161 WeakPolarHBondContact O-CB 3.25Å; Q157-L161 VanDerWaalsContact O-CG 3.23Å; Q157-L161 WeakPolarHBondContact O-CG 3.5Å; Q157-L161 PolarHBondContact O-N 3.23Å; Q157-I178 HydrophobicContact CG-CD1 4.08Å; Q157-I178 HydrophobicContact CG-CG1 4.06Å
158Q85.1Confident85.9Confident100 Ų10052.7 Ų52.747%0.46726%0.256SS..Hα-helixtrans-66.3-47.1176.6-67.9-58.4-18.900111.7R154 M155 L156 F160 L161 A162R154-Q158 WeakPolarHBondContact O-CG 3.22Å; R154-Q158 PolarHBondContact O-N 3.24Å; M155-Q158 PolarHBondContact O-N 3.07Å; L156-Q158 VanDerWaalsContact C-N 3.33Å; L156-Q158 PolarHBondContact O-N 2.78Å; Q158-F160 VanDerWaalsContact C-N 3.27Å; Q158-F160 PolarHBondContact O-N 2.78Å; Q158-L161 PolarHBondContact O-N 2.87Å; Q158-A162 WeakPolarHBondContact O-CB 3.3Å; Q158-A162 PolarHBondContact O-N 3.38Å
159Q89Confident86.6Confident46 Ų4652 Ų5222%0.21525%0.252CS..Hα-helixtrans-57.5-40.3175.9-71.6176.7-13.800112.1M155 L156 A162 D163 D164 L165M155-Q159 WeakPolarHBondContact O-CG 3.25Å; M155-Q159 PolarHBondContact O-N 3.03Å; L156-Q159 PolarHBondContact O-N 3.31Å; Q159-A162 PolarHBondContact O-N 3.23Å; Q159-D163 PolarHBondContact O-N 3.26Å; Q159-D164 HydrophobicContact CB-CB 3.99Å; Q159-D164 HydrophobicContact CG-CB 4.43Å; Q159-D164 WeakPolarHBondContact O-CB 3.24Å; Q159-D164 PolarHBondContact O-N 3.47Å; Q159-L165 HydrophobicContact CB-CD1 3.7Å; Q159-L165 HydrophobicContact CB-CG 3.87Å; Q159-L165 PolarHBondContact O-N 2.78Å
160F89.5Confident87.2Confident1 Ų149.4 Ų49.40%0.00423%0.234CC..Hα-helixtrans-70-43175.9-173.8-114.9000112.7G118 I119 L156 Q157 Q158 A162 D163 L165 L168 F174 K180 I183G118-F160 WeakPolarHBondContact O-CE2 3.44Å; G118-F160 WeakPolarHBondContact O-CZ 3.49Å; I119-F160 HydrophobicContact CD1-CE1 4.35Å; I119-F160 HydrophobicContact CG1-CE1 4.05Å; I119-F160 HydrophobicContact CG1-CZ 3.81Å; L156-F160 WeakPolarHBondContact O-CB 3.33Å; L156-F160 PolarHBondContact O-N 3.3Å; Q157-F160 PolarHBondContact O-N 3.26Å; Q158-F160 VanDerWaalsContact C-N 3.27Å; Q158-F160 PolarHBondContact O-N 2.78Å; F160-A162 PolarHBondContact O-N 3.04Å; F160-D163 PolarHBondContact O-N 3.04Å; F160-L165 HydrophobicContact CB-CB 4.38Å; F160-L165 HydrophobicContact CB-CD1 4.44Å; F160-L165 HydrophobicContact CD2-CB 4.15Å; F160-L165 WeakPolarHBondContact CD2-O 3.49Å; F160-L168 HydrophobicContact CD2-CB 4.03Å; F160-L168 HydrophobicContact CE2-CB 4.09Å; F160-L168 HydrophobicContact CG-CB 4.33Å; F160-L168 HydrophobicContact CZ-CB 4.43Å; F160-F174 HydrophobicContact CD1-CZ 4.01Å; F160-F174 HydrophobicContact CE1-CE1 4.44Å; F160-F174 HydrophobicContact CE1-CZ 4.24Å; F160-K180 HydrophobicContact CD1-CD 3.83Å; F160-K180 HydrophobicContact CE1-CD 3.65Å; F160-K180 HydrophobicContact CG-CD 4.41Å; F160-K180 HydrophobicContact CZ-CD 4.06Å; F160-K180 VanDerWaalsContact O-CD 3.32Å; F160-K180 WeakPolarHBondContact O-CD 3.48Å; F160-K180 WeakPolarHBondContact O-CE 3.39Å; F160-K180 PolarHBondContact O-NZ 3.13Å; F160-K180 VanDerWaalsContact O-NZ 3.09Å; F160-I183 HydrophobicContact CE1-CD1 4.23Å; F160-I183 HydrophobicContact CE1-CG1 4.2Å; F160-I183 HydrophobicContact CZ-CG1 4.25Å
161L87.9Confident87.8Confident49 Ų4948.4 Ų48.426%0.25722%0.222SC..Hα-helixtrans-56.7-37174.8-78.3166.6000111.3Q157 Q158 I178 K180Q157-L161 HydrophobicContact CG-CD1 4.05Å; Q157-L161 WeakPolarHBondContact O-CB 3.25Å; Q157-L161 VanDerWaalsContact O-CG 3.23Å; Q157-L161 WeakPolarHBondContact O-CG 3.5Å; Q157-L161 PolarHBondContact O-N 3.23Å; Q158-L161 PolarHBondContact O-N 2.87Å; L161-I178 HydrophobicContact CD2-CG2 4.49Å; L161-K180 HydrophobicContact CD2-CB 3.74Å; L161-K180 HydrophobicContact CD2-CG 4.4Å; L161-K180 PolarHBondContact O-NZ 3.31Å
162A86.1Confident88Confident9 Ų945.7 Ų45.77%0.07421%0.213CC..THydrogen-bonded Turntrans-948.1-171.300000115.2Q158 Q159 F160 D164 I601 M603Q158-A162 WeakPolarHBondContact O-CB 3.3Å; Q158-A162 PolarHBondContact O-N 3.38Å; Q159-A162 PolarHBondContact O-N 3.23Å; F160-A162 PolarHBondContact O-N 3.04Å; A162-D164 VanDerWaalsContact C-N 3.26Å; A162-D164 PolarHBondContact O-N 3.43Å; A162-I601 HydrophobicContact CB-CG2 3.43Å; A162-I601 VanDerWaalsContact CB-CG2 3.43Å; A162-M603 HydrophobicContact CB-CG 3.52Å; A162-M603 HydrophobicContact CB-SD 3.08Å; A162-M603 WeakPolarHBondContact CB-SD 3.09Å
163D88Confident87.4Confident79 Ų7943.4 Ų43.442%0.42221%0.208SC..THydrogen-bonded Turntrans66.217.9177.8-65.7-51.2000115.4S117 Q159 F160 L165 K180 N182S117-D163 PolarHBondContact OG-OD1 3.09Å; Q159-D163 PolarHBondContact O-N 3.26Å; F160-D163 PolarHBondContact O-N 3.04Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-K180 WeakPolarHBondContact OD1-CE 3.42Å; D163-K180 IonicContact OD1-NZ 3.85Å; D163-K180 PolarHBondContact OD1-NZ 2.55Å; D163-K180 IonicContact OD2-NZ 3.99Å; D163-K180 PolarHBondContact OD2-NZ 2.86Å; D163-N182 PolarHBondContact OD1-ND2 3Å; D163-N182 PolarHBondContact OD2-ND2 2.95Å
164D85.4Confident86.8Confident21 Ų2139.4 Ų39.411%0.11219%0.193CC..SBendtrans-69-37.3166.9-74-36.2000111.9Q159 A162 M603Q159-D164 HydrophobicContact CB-CB 3.99Å; Q159-D164 HydrophobicContact CG-CB 4.43Å; Q159-D164 WeakPolarHBondContact O-CB 3.24Å; Q159-D164 PolarHBondContact O-N 3.47Å; A162-D164 VanDerWaalsContact C-N 3.26Å; A162-D164 PolarHBondContact O-N 3.43Å; D164-M603 WeakPolarHBondContact OD1-CE 3.49Å; D164-M603 WeakPolarHBondContact OD2-CE 3.44Å
165L90Very high85.6Confident16 Ų1632.6 Ų32.68%0.08417%0.173CC..  trans-103.1118.6174.6-61.9171.5000107.8A142 L156 Q159 F160 D163 L168A142-L165 HydrophobicContact CB-CD1 3.59Å; A142-L165 HydrophobicContact CB-CD2 3.92Å; A142-L165 HydrophobicContact CB-CG 4.37Å; L156-L165 HydrophobicContact CD2-CD1 4.18Å; Q159-L165 HydrophobicContact CB-CD1 3.7Å; Q159-L165 HydrophobicContact CB-CG 3.87Å; Q159-L165 PolarHBondContact O-N 2.78Å; F160-L165 HydrophobicContact CB-CB 4.38Å; F160-L165 HydrophobicContact CB-CD1 4.44Å; F160-L165 HydrophobicContact CD2-CB 4.15Å; F160-L165 WeakPolarHBondContact CD2-O 3.49Å; D163-L165 VanDerWaalsContact C-N 3.34Å; L165-L168 HydrophobicContact CD1-CD1 4.3Å
166R93.6Very high84.2Confident47 Ų4734.8 Ų34.818%0.17718%0.183CC..SBendtrans-70.5-45172-174.5-174.8156.3-118.1-3.3110.2I111 L114 G116 S117 G118 A140I111-R166 VanDerWaalsContact O-CZ 3.25Å; I111-R166 PolarHBondContact O-NH1 3.3Å; I111-R166 PolarHBondContact O-NH2 2.61Å; L114-R166 PolarHBondContact O-NH2 3.3Å; G116-R166 WeakPolarHBondContact O-CG 3.4Å; G116-R166 PolarHBondContact O-NE 2.81Å; S117-R166 CarbonylContact C-O 3.46Å; S117-R166 WeakPolarHBondContact CA-O 3.45Å; G118-R166 PolarHBondContact N-O 2.69Å; A140-R166 HydrophobicContact CB-CB 4.28Å; A140-R166 WeakPolarHBondContact O-CA 3.1Å; A140-R166 WeakPolarHBondContact O-CB 3.44Å; A140-R166 PolarHBondContact O-N 2.78Å
167I95.1Very high82.9Confident0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-125.3136.3-175.3-59.9167.5000110.8I111 G118 I120 A140 I141 A142 I169 F185I111-I167 HydrophobicContact CB-CD1 4.26Å; I111-I167 HydrophobicContact CG1-CD1 4.02Å; I111-I167 HydrophobicContact CG2-CD1 3.58Å; G118-I167 VanDerWaalsContact O-CA 3.32Å; G118-I167 WeakPolarHBondContact O-CA 3.38Å; I120-I167 HydrophobicContact CD1-CG2 3.53Å; I120-I167 HydrophobicContact CG1-CG2 3.79Å; A140-I167 PolarHBondContact O-N 3Å; A140-I167 VanDerWaalsContact O-N 3.07Å; I141-I167 WeakPolarHBondContact CA-O 2.75Å; I141-I167 HydrophobicContact CB-CB 4.39Å; I141-I167 HydrophobicContact CG2-CB 3.79Å; I141-I167 HydrophobicContact CG2-CD1 4.35Å; I141-I167 HydrophobicContact CG2-CG1 4.48Å; A142-I167 PolarHBondContact N-O 3.49Å; A142-I167 VanDerWaalsContact N-O 3.14Å; I167-I169 HydrophobicContact CG2-CG1 4.34Å; I167-F185 HydrophobicContact CD1-CE2 4.22Å; I167-F185 HydrophobicContact CD1-CZ 3.94Å; I167-F185 HydrophobicContact CG1-CE2 4.08Å; I167-F185 HydrophobicContact CG1-CZ 3.74Å
168L94.5Very high82.2Confident0 Ų035.4 Ų35.40%020%0.204CC..EExtended strand (participates in β ladder)trans-113122.2166.5-160.579000111.4G118 I119 I120 A142 Y144 F160 L165 F174G118-L168 PolarHBondContact O-N 3.19Å; I119-L168 CarbonylContact C-O 3.57Å; I119-L168 WeakPolarHBondContact CA-O 3.36Å; I120-L168 PolarHBondContact N-O 3.27Å; A142-L168 HydrophobicContact CB-CD1 3.89Å; Y144-L168 HydrophobicContact CD2-CD2 4.32Å; Y144-L168 HydrophobicContact CG-CD2 4.28Å; F160-L168 HydrophobicContact CD2-CB 4.03Å; F160-L168 HydrophobicContact CE2-CB 4.09Å; F160-L168 HydrophobicContact CG-CB 4.33Å; F160-L168 HydrophobicContact CZ-CB 4.43Å; L165-L168 HydrophobicContact CD1-CD1 4.3Å; L168-F174 HydrophobicContact CD2-CD1 4.01Å; L168-F174 HydrophobicContact CD2-CD2 3.49Å; L168-F174 VanDerWaalsContact CD2-CD2 3.49Å; L168-F174 HydrophobicContact CD2-CE1 3.54Å; L168-F174 HydrophobicContact CD2-CE2 2.9Å; L168-F174 HydrophobicContact CD2-CG 3.98Å; L168-F174 HydrophobicContact CD2-CZ 2.94Å; L168-F174 HydrophobicContact CG-CE2 4.4Å; L168-F174 HydrophobicContact CG-CZ 4.3Å
169I96.1Very high82Confident1 Ų135.5 Ų35.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-92.3118.3175-49.5-178.2000107.9I120 V128 L131 I141 A142 Y143 Y144 I167I120-I169 HydrophobicContact CB-CG1 4.32Å; I120-I169 HydrophobicContact CB-CG2 4.32Å; I120-I169 HydrophobicContact CD1-CG1 4.11Å; I120-I169 HydrophobicContact CG2-CG2 4.39Å; I120-I169 CarbonylContact O-C 3.54Å; I120-I169 WeakPolarHBondContact O-CA 3.32Å; V128-I169 HydrophobicContact CB-CG2 4.22Å; V128-I169 HydrophobicContact CG1-CB 4.39Å; V128-I169 HydrophobicContact CG1-CG2 4.04Å; V128-I169 WeakPolarHBondContact CG1-O 3.46Å; V128-I169 HydrophobicContact CG2-CG2 4.18Å; L131-I169 HydrophobicContact CB-CD1 3.88Å; L131-I169 HydrophobicContact CB-CG2 4.3Å; L131-I169 HydrophobicContact CD1-CG2 4.43Å; I141-I169 HydrophobicContact CD1-CD1 4.11Å; A142-I169 PolarHBondContact O-N 3.43Å; Y143-I169 CarbonylContact C-O 3.54Å; Y143-I169 WeakPolarHBondContact CA-O 3.24Å; Y144-I169 PolarHBondContact N-O 3.27Å; I167-I169 HydrophobicContact CG2-CG1 4.34Å
170A93.6Very high82Confident0 Ų033.5 Ų33.50%020%0.198CC..EExtended strand (participates in β ladder)trans-135.7154.9-166.800000114.1I119 I120 Y121 C122 Y144 F174I119-A170 HydrophobicContact CG2-CB 4.44Å; I120-A170 PolarHBondContact O-N 2.96Å; Y121-A170 CarbonylContact C-O 3.47Å; Y121-A170 VanDerWaalsContact CA-O 3.31Å; Y121-A170 WeakPolarHBondContact CA-O 3.33Å; Y121-A170 HydrophobicContact CD1-CB 4.32Å; Y121-A170 HydrophobicContact CE1-CB 4.21Å; C122-A170 PolarHBondContact N-O 3.42Å; Y144-A170 VanDerWaalsContact O-CA 3.24Å; Y144-A170 WeakPolarHBondContact O-CA 3.25Å; A170-F174 HydrophobicContact CB-CB 3.45Å; A170-F174 VanDerWaalsContact CB-CB 3.45Å; A170-F174 HydrophobicContact CB-CD1 4.02Å; A170-F174 HydrophobicContact CB-CG 3.84Å
171T89.4Confident82.1Confident7 Ų738.8 Ų38.84%0.04322%0.223CC..  trans-88.6171.6158.152.20000109.5R125 V128 Y144 H145 A173 F174R125-T171 HydrophobicContact CG-CG2 4.38Å; V128-T171 HydrophobicContact CG2-CG2 3.74Å; Y144-T171 PolarHBondContact O-N 3.05Å; Y144-T171 VanDerWaalsContact O-N 3.08Å; H145-T171 WeakPolarHBondContact CA-OG1 3.45Å; H145-T171 HydrophobicContact CB-CG2 4.1Å; H145-T171 WeakPolarHBondContact CB-OG1 3.46Å; T171-A173 PolarHBondContact O-N 3.23Å; T171-A173 WeakPolarHBondContact OG1-CB 3.21Å; T171-F174 WeakPolarHBondContact O-CB 3.36Å; T171-F174 PolarHBondContact O-N 3.19Å
172N80.2Confident82.4Confident89 Ų8938.9 Ų38.948%0.47622%0.223SC..THydrogen-bonded Turntrans-51.3-18.9172.265.4-4.6000114.3F174 G175N172-F174 PolarHBondContact O-N 2.99Å; N172-G175 PolarHBondContact O-N 3.17Å
173A70.7Confident82.8Confident38 Ų3838.5 Ų38.531%0.31422%0.22SC..THydrogen-bonded Turntrans-55-23.217100000113.3T171 G175T171-A173 PolarHBondContact O-N 3.23Å; T171-A173 WeakPolarHBondContact OG1-CB 3.21Å; A173-G175 PolarHBondContact O-N 3.28Å; A173-G175 VanDerWaalsContact O-N 3.1Å
174F69Low83.2Confident2 Ų236.9 Ų36.91%0.00921%0.208CC..SBendtrans-83.346.9172.9-166.1-110.5000112.2I119 Y121 Y144 F160 L168 A170 T171 N172 I178I119-F174 HydrophobicContact CD1-CD1 4.22Å; I119-F174 HydrophobicContact CD1-CE1 3.67Å; I119-F174 HydrophobicContact CG1-CE1 4.02Å; I119-F174 HydrophobicContact CG2-CD1 4.24Å; I119-F174 HydrophobicContact CG2-CE1 4.39Å; Y121-F174 HydrophobicContact CE1-CB 4.41Å; Y121-F174 PolarHBondContact OH-O 3.41Å; Y144-F174 HydrophobicContact CD1-CB 3.66Å; Y144-F174 AromaticContact CD1-CD2 3.53Å; Y144-F174 HydrophobicContact CD1-CD2 3.53Å; Y144-F174 HydrophobicContact CD1-CG 4.05Å; Y144-F174 AromaticContact CD2-CD2 3.58Å; Y144-F174 HydrophobicContact CD2-CD2 3.58Å; Y144-F174 AromaticContact CD2-CE2 3.87Å; Y144-F174 HydrophobicContact CD2-CE2 3.87Å; Y144-F174 HydrophobicContact CE1-CB 4.03Å; Y144-F174 AromaticContact CE1-CD2 3.77Å; Y144-F174 HydrophobicContact CE1-CD2 3.77Å; Y144-F174 HydrophobicContact CE1-CG 4.42Å; Y144-F174 AromaticContact CE2-CD2 3.77Å; Y144-F174 HydrophobicContact CE2-CD2 3.77Å; Y144-F174 HydrophobicContact CE2-CE2 4.1Å; Y144-F174 HydrophobicContact CG-CB 4.26Å; Y144-F174 AromaticContact CG-CD2 3.43Å; Y144-F174 HydrophobicContact CG-CD2 3.43Å; Y144-F174 VanDerWaalsContact CG-CD2 3.43Å; Y144-F174 HydrophobicContact CG-CE2 4.11Å; Y144-F174 HydrophobicContact CG-CG 4.22Å; Y144-F174 AromaticContact CZ-CD2 3.86Å; F160-F174 HydrophobicContact CD1-CZ 4.01Å; F160-F174 HydrophobicContact CE1-CE1 4.44Å; F160-F174 HydrophobicContact CE1-CZ 4.24Å; L168-F174 HydrophobicContact CD2-CD1 4.01Å; L168-F174 HydrophobicContact CD2-CD2 3.49Å; L168-F174 VanDerWaalsContact CD2-CD2 3.49Å; L168-F174 HydrophobicContact CD2-CE1 3.54Å; L168-F174 HydrophobicContact CD2-CE2 2.9Å; L168-F174 HydrophobicContact CD2-CG 3.98Å; L168-F174 HydrophobicContact CD2-CZ 2.94Å; L168-F174 HydrophobicContact CG-CE2 4.4Å; L168-F174 HydrophobicContact CG-CZ 4.3Å; A170-F174 HydrophobicContact CB-CB 3.45Å; A170-F174 VanDerWaalsContact CB-CB 3.45Å; A170-F174 HydrophobicContact CB-CD1 4.02Å; A170-F174 HydrophobicContact CB-CG 3.84Å; T171-F174 WeakPolarHBondContact O-CB 3.36Å; T171-F174 PolarHBondContact O-N 3.19Å; N172-F174 PolarHBondContact O-N 2.99Å; F174-I178 HydrophobicContact CD1-CD1 4.08Å; F174-I178 HydrophobicContact CD2-CD1 3.49Å; F174-I178 VanDerWaalsContact CD2-CD1 3.49Å; F174-I178 HydrophobicContact CE1-CD1 3.52Å; F174-I178 HydrophobicContact CE2-CD1 2.86Å; F174-I178 HydrophobicContact CE2-CG1 4.34Å; F174-I178 HydrophobicContact CG-CD1 4.07Å; F174-I178 HydrophobicContact CZ-CD1 2.88Å; F174-I178 HydrophobicContact CZ-CG1 4.3Å
175G56.2Low83.7Confident15 Ų1536 Ų3616%0.15520%0.203CC..  trans-110.6-39.1-166.900000115.5N172 A173 R204N172-G175 PolarHBondContact O-N 3.17Å; A173-G175 PolarHBondContact O-N 3.28Å; A173-G175 VanDerWaalsContact O-N 3.1Å; G175-R204 VanDerWaalsContact C-NH2 3.32Å; G175-R204 PolarHBondContact O-NH1 3.12Å; G175-R204 PolarHBondContact O-NH2 3Å
176M58.1Low84Confident147 Ų14735.2 Ų35.272%0.72420%0.199SC*.SBendtrans-105.2109.4-168.3-62.9-179.9-65.400110.8
177G58.3Low84.2Confident67 Ų6733 Ų3369%0.69119%0.191SC*.SBendtrans103.115.7161.600000118.3
178I70.9Confident84.3Confident10 Ų1033 Ų335%0.05119%0.191CC..  trans-88.9125.4173.2-67.1177.7000110Q157 L161 F174 K180 R207Q157-I178 HydrophobicContact CG-CD1 4.08Å; Q157-I178 HydrophobicContact CG-CG1 4.06Å; L161-I178 HydrophobicContact CD2-CG2 4.49Å; F174-I178 HydrophobicContact CD1-CD1 4.08Å; F174-I178 HydrophobicContact CD2-CD1 3.49Å; F174-I178 VanDerWaalsContact CD2-CD1 3.49Å; F174-I178 HydrophobicContact CE1-CD1 3.52Å; F174-I178 HydrophobicContact CE2-CD1 2.86Å; F174-I178 HydrophobicContact CE2-CG1 4.34Å; F174-I178 HydrophobicContact CG-CD1 4.07Å; F174-I178 HydrophobicContact CZ-CD1 2.88Å; F174-I178 HydrophobicContact CZ-CG1 4.3Å; I178-K180 HydrophobicContact CG2-CB 4.12Å; I178-R207 PolarHBondContact O-NH1 3.18Å
179N80.5Confident84.3Confident101 Ų10133.7 Ų33.754%0.5419%0.194SC..  trans-119.862.2176-163.335.9000110.5R207N179-R207 PolarHBondContact OD1-NH1 3.36Å
180K89.1Confident84Confident4 Ų434.3 Ų34.32%0.01720%0.197CC..  trans-90.9114.6167.4-171.5170.7-179.555.10107.8F160 L161 D163 I178 N182 I183F160-K180 HydrophobicContact CD1-CD 3.83Å; F160-K180 HydrophobicContact CE1-CD 3.65Å; F160-K180 HydrophobicContact CG-CD 4.41Å; F160-K180 HydrophobicContact CZ-CD 4.06Å; F160-K180 VanDerWaalsContact O-CD 3.32Å; F160-K180 WeakPolarHBondContact O-CD 3.48Å; F160-K180 WeakPolarHBondContact O-CE 3.39Å; F160-K180 PolarHBondContact O-NZ 3.13Å; F160-K180 VanDerWaalsContact O-NZ 3.09Å; L161-K180 HydrophobicContact CD2-CB 3.74Å; L161-K180 HydrophobicContact CD2-CG 4.4Å; L161-K180 PolarHBondContact O-NZ 3.31Å; D163-K180 WeakPolarHBondContact OD1-CE 3.42Å; D163-K180 IonicContact OD1-NZ 3.85Å; D163-K180 PolarHBondContact OD1-NZ 2.55Å; D163-K180 IonicContact OD2-NZ 3.99Å; D163-K180 PolarHBondContact OD2-NZ 2.86Å; I178-K180 HydrophobicContact CG2-CB 4.12Å; K180-N182 VanDerWaalsContact C-N 3.32Å; K180-N182 WeakPolarHBondContact CE-OD1 3.31Å; K180-N182 WeakPolarHBondContact CG-OD1 3.03Å; K180-N182 PolarHBondContact NZ-OD1 3.5Å; K180-I183 HydrophobicContact CB-CD1 3.94Å; K180-I183 HydrophobicContact CB-CG1 3.97Å; K180-I183 HydrophobicContact CD-CG1 3.96Å; K180-I183 HydrophobicContact CG-CG1 4Å
181E91.6Very high83.8Confident113 Ų11335.8 Ų35.853%0.52820%0.204SC..THydrogen-bonded Turntrans-72.5-31.8-175.4-61.6-176.7177.200111.9I183 R184 R207 D208E181-I183 PolarHBondContact O-N 2.98Å; E181-R184 PolarHBondContact O-NH2 3.31Å; E181-R207 HydrophobicContact CB-CB 4.44Å; E181-R207 PolarHBondContact O-N 3.44Å; E181-D208 HydrophobicContact CB-CB 4Å; E181-D208 PolarHBondContact O-N 2.89Å; E181-D208 VanDerWaalsContact O-OD1 3.05Å
182N92.9Very high83.6Confident50 Ų5036.5 Ų36.527%0.26721%0.21SC..THydrogen-bonded Turntrans-9934-168.567.9-31.2000116D163 K180 R184 D208D163-N182 PolarHBondContact OD1-ND2 3Å; D163-N182 PolarHBondContact OD2-ND2 2.95Å; K180-N182 VanDerWaalsContact C-N 3.32Å; K180-N182 WeakPolarHBondContact CE-OD1 3.31Å; K180-N182 WeakPolarHBondContact CG-OD1 3.03Å; K180-N182 PolarHBondContact NZ-OD1 3.5Å; N182-R184 VanDerWaalsContact C-NH1 3.34Å; N182-R184 VanDerWaalsContact CA-NH2 3.32Å; N182-R184 VanDerWaalsContact CB-NH1 3.3Å; N182-R184 PolarHBondContact O-N 2.91Å; N182-R184 PolarHBondContact O-NH1 3Å; N182-D208 WeakPolarHBondContact CA-OD2 3.38Å
183I95.4Very high83.3Confident1 Ų135.2 Ų35.21%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-75.3117172-64.7162.6000109.1S117 I119 F160 K180 E181 V186 R204 A205 G206 S212S117-I183 CarbonylContact O-C 3.55Å; S117-I183 WeakPolarHBondContact O-CA 3.37Å; I119-I183 HydrophobicContact CD1-CD1 3.69Å; I119-I183 HydrophobicContact CD1-CG2 4.39Å; I119-I183 HydrophobicContact CG1-CD1 4.48Å; I119-I183 HydrophobicContact CG1-CG2 4.45Å; F160-I183 HydrophobicContact CE1-CD1 4.23Å; F160-I183 HydrophobicContact CE1-CG1 4.2Å; F160-I183 HydrophobicContact CZ-CG1 4.25Å; K180-I183 HydrophobicContact CB-CD1 3.94Å; K180-I183 HydrophobicContact CB-CG1 3.97Å; K180-I183 HydrophobicContact CD-CG1 3.96Å; K180-I183 HydrophobicContact CG-CG1 4Å; E181-I183 PolarHBondContact O-N 2.98Å; I183-V186 HydrophobicContact CG2-CG2 4.06Å; I183-R204 HydrophobicContact CD1-CB 4.04Å; I183-A205 HydrophobicContact CG2-CB 4.35Å; I183-A205 WeakPolarHBondContact O-CA 3.49Å; I183-G206 PolarHBondContact O-N 3.18Å; I183-S212 PolarHBondContact O-OG 3.31Å
184R96.4Very high83.5Confident45 Ų4534.8 Ų34.817%0.1720%0.197CC..EExtended strand (participates in β ladder)trans-91.8-25.8-176.9-63.7-60.573.992.76.5114.7E115 S117 E181 N182 D208 P211 S212 Q213E115-R184 WeakPolarHBondContact O-CB 3.46Å; S117-R184 PolarHBondContact O-N 3.14Å; E181-R184 PolarHBondContact O-NH2 3.31Å; N182-R184 VanDerWaalsContact C-NH1 3.34Å; N182-R184 VanDerWaalsContact CA-NH2 3.32Å; N182-R184 VanDerWaalsContact CB-NH1 3.3Å; N182-R184 PolarHBondContact O-N 2.91Å; N182-R184 PolarHBondContact O-NH1 3Å; R184-D208 IonicContact CZ-OD1 3.07Å; R184-D208 IonicContact CZ-OD2 3.11Å; R184-D208 VanDerWaalsContact CZ-OD2 3.31Å; R184-D208 IonicContact NH1-OD1 3.38Å; R184-D208 IonicContact NH1-OD2 3.41Å; R184-D208 PolarHBondContact NH1-OD2 3.33Å; R184-D208 VanDerWaalsContact NH2-CG 3.32Å; R184-D208 IonicContact NH2-OD1 2.68Å; R184-D208 PolarHBondContact NH2-OD1 3.01Å; R184-D208 IonicContact NH2-OD2 3.86Å; R184-D208 PolarHBondContact NH2-OD2 3.33Å; R184-D208 VanDerWaalsContact NH2-OD2 3.09Å; R184-P211 PolarHBondContact NE-O 2.92Å; R184-S212 PolarHBondContact NE-OG 3.21Å; R184-S212 PolarHBondContact NH2-OG 3.12Å; R184-S212 CarbonylContact O-C 3.56Å; R184-S212 WeakPolarHBondContact O-CA 3.46Å; R184-S212 VanDerWaalsContact O-CB 3.26Å; R184-S212 WeakPolarHBondContact O-CB 3.47Å; R184-Q213 PolarHBondContact O-N 3.43Å
185F96.8Very high84Confident2 Ų239.5 Ų39.51%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-146.6145.8174.557.1-88.7000112.5L114 G116 G118 I119 I167 I187 Q213L114-F185 HydrophobicContact CB-CD1 3.78Å; L114-F185 HydrophobicContact CB-CE1 3.84Å; L114-F185 HydrophobicContact CB-CG 4.27Å; L114-F185 HydrophobicContact CB-CZ 4.35Å; L114-F185 HydrophobicContact CD1-CB 3.96Å; L114-F185 HydrophobicContact CD1-CD1 4.13Å; L114-F185 HydrophobicContact CD1-CD2 3.91Å; L114-F185 HydrophobicContact CD1-CE2 4.41Å; L114-F185 HydrophobicContact CD1-CG 3.74Å; G116-F185 WeakPolarHBondContact O-CE1 3.05Å; G118-F185 CarbonylContact C-O 3.44Å; G118-F185 WeakPolarHBondContact CA-O 3.15Å; I119-F185 PolarHBondContact N-O 3.12Å; I167-F185 HydrophobicContact CD1-CE2 4.22Å; I167-F185 HydrophobicContact CD1-CZ 3.94Å; I167-F185 HydrophobicContact CG1-CE2 4.08Å; I167-F185 HydrophobicContact CG1-CZ 3.74Å; F185-I187 HydrophobicContact CD2-CD1 3.8Å; F185-I187 HydrophobicContact CD2-CG1 3.98Å; F185-I187 HydrophobicContact CE2-CD1 4.05Å; F185-Q213 CarbonylContact C-O 3.56Å; F185-Q213 WeakPolarHBondContact CA-O 3.32Å; F185-Q213 HydrophobicContact CB-CB 4.38Å
186V96.5Very high84.9Confident0 Ų040.7 Ų40.70%023%0.23CC..EExtended strand (participates in β ladder)trans-123.7118.5169.4175.50000106.4I119 Y121 I183 V202 A205 Q213 A214 I215I119-V186 HydrophobicContact CB-CG2 4.48Å; I119-V186 CarbonylContact O-C 3.59Å; I119-V186 WeakPolarHBondContact O-CA 3.34Å; Y121-V186 HydrophobicContact CD2-CG1 3.71Å; Y121-V186 HydrophobicContact CE2-CG1 3.82Å; I183-V186 HydrophobicContact CG2-CG2 4.06Å; V186-V202 HydrophobicContact CG1-CG1 4.49Å; V186-A205 HydrophobicContact CG2-CB 3.94Å; V186-Q213 PolarHBondContact N-O 3.21Å; V186-A214 WeakPolarHBondContact O-CA 3.46Å; V186-I215 PolarHBondContact O-N 3.4Å
187I97Very high86Confident0 Ų034.3 Ų34.30%020%0.199CC..EExtended strand (participates in β ladder)trans-109.9121.7178.7-59168.1000108.2L107 L110 L114 I119 I120 Y121 F185 I215 L217L107-I187 HydrophobicContact CD1-CD1 4.04Å; L107-I187 HydrophobicContact CD1-CG2 4.01Å; L110-I187 HydrophobicContact CB-CD1 4.13Å; L110-I187 HydrophobicContact CD1-CD1 4.37Å; L114-I187 HydrophobicContact CD1-CD1 4.05Å; I119-I187 PolarHBondContact O-N 3.02Å; I120-I187 CarbonylContact C-O 3.48Å; I120-I187 VanDerWaalsContact CA-O 3.23Å; I120-I187 WeakPolarHBondContact CA-O 3.5Å; I120-I187 HydrophobicContact CG1-CB 4.24Å; I120-I187 HydrophobicContact CG1-CD1 4.34Å; Y121-I187 PolarHBondContact N-O 3.48Å; F185-I187 HydrophobicContact CD2-CD1 3.8Å; F185-I187 HydrophobicContact CD2-CG1 3.98Å; F185-I187 HydrophobicContact CE2-CD1 4.05Å; I187-I215 CarbonylContact C-O 3.6Å; I187-I215 VanDerWaalsContact CA-O 3.26Å; I187-I215 WeakPolarHBondContact CA-O 3.38Å; I187-I215 HydrophobicContact CG1-CB 4.15Å; I187-I215 HydrophobicContact CG1-CD1 4.26Å; I187-L217 HydrophobicContact CG2-CD1 4.02Å; I187-L217 HydrophobicContact CG2-CG 4Å
188H96.2Very high87.4Confident1 Ų133.3 Ų33.31%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-90.6104.5167.8-70.991.1000108.4Y121 P192 Y198 E201 I215 L216 L217Y121-H188 AromaticContact CD2-NE2 3.75Å; H188-P192 VanDerWaalsContact CD2-CG 3.47Å; H188-P192 WeakPolarHBondContact CD2-CG 3.22Å; H188-Y198 AromaticContact CE1-CD2 3.55Å; H188-Y198 AromaticContact CE1-CE2 3.76Å; H188-Y198 AromaticContact ND1-CD2 3.67Å; H188-Y198 AromaticContact ND1-CE2 3.5Å; H188-Y198 WeakPolarHBondContact ND1-CE2 3.36Å; H188-Y198 AromaticContact NE2-CD2 3.98Å; H188-E201 IonicContact CD2-OE2 2.68Å; H188-E201 PolarHBondContact CD2-OE2 3.37Å; H188-E201 IonicContact CE1-OE2 3.23Å; H188-E201 IonicContact NE2-OE2 2.67Å; H188-E201 PolarHBondContact NE2-OE2 2.68Å; H188-I215 PolarHBondContact N-O 3.27Å; H188-L216 HydrophobicContact CB-CD1 3.6Å; H188-L217 PolarHBondContact O-N 3.33Å
189Y95.4Very high88.2Confident15 Ų1535.1 Ų35.16%0.05918%0.184CC..SBendtrans-73.4-34.9175.9-173.1-90.2000111.6K103 L107 Y121 K127 L131 L217K103-Y189 HydrophobicContact CB-CD2 4.33Å; K103-Y189 HydrophobicContact CB-CE1 4.32Å; K103-Y189 HydrophobicContact CB-CE2 3.62Å; K103-Y189 HydrophobicContact CD-CD1 4.41Å; K103-Y189 HydrophobicContact CD-CE1 4.02Å; K103-Y189 WeakPolarHBondContact CD-O 3.33Å; K103-Y189 WeakPolarHBondContact CE-O 3.22Å; K103-Y189 PolarHBondContact NZ-O 3.13Å; L107-Y189 HydrophobicContact CB-CD2 4.34Å; L107-Y189 HydrophobicContact CB-CE2 4.26Å; L107-Y189 HydrophobicContact CD2-CD2 3.61Å; L107-Y189 HydrophobicContact CD2-CE2 3.77Å; L107-Y189 HydrophobicContact CG-CD2 4.4Å; Y121-Y189 WeakPolarHBondContact O-CB 3.42Å; Y121-Y189 PolarHBondContact O-N 2.74Å; K127-Y189 HydrophobicContact CD-CD1 4.06Å; K127-Y189 HydrophobicContact CD-CE1 3.62Å; K127-Y189 HydrophobicContact CG-CD1 3.97Å; K127-Y189 HydrophobicContact CG-CE1 4.04Å; L131-Y189 HydrophobicContact CD1-CD1 4.2Å; L131-Y189 HydrophobicContact CD1-CD2 3.82Å; L131-Y189 HydrophobicContact CD1-CE2 4.13Å; L131-Y189 HydrophobicContact CD1-CG 3.83Å; L131-Y189 HydrophobicContact CD2-CD2 4.5Å; L131-Y189 HydrophobicContact CD2-CE2 3.98Å; Y189-L217 HydrophobicContact CD2-CD1 3.97Å
190D90.7Very high88.4Confident13 Ų1332.4 Ų32.47%0.0717%0.168CC..SBendtrans-115.6153.3170.5-58.1-49.9000108.3K103 C122 A123 I225K103-D190 IonicContact NZ-OD1 2.97Å; K103-D190 PolarHBondContact NZ-OD1 3.09Å; C122-D190 WeakPolarHBondContact CA-OD2 3.31Å; A123-D190 HydrophobicContact CB-CB 3.83Å; A123-D190 PolarHBondContact N-OD2 3.32Å; D190-I225 HydrophobicContact CB-CD1 4.32Å
191L88Confident88.5Confident31 Ų3132.9 Ų32.916%0.16217%0.17CC..  trans-51.7140.8170.1-80171.3000110L216 Y218 D222 E223 H226L191-L216 HydrophobicContact CD2-CD1 4.01Å; L191-L216 HydrophobicContact CD2-CD2 3.78Å; L191-L216 HydrophobicContact CD2-CG 4.45Å; L191-Y218 HydrophobicContact CD1-CD2 4.08Å; L191-Y218 HydrophobicContact CD1-CE2 4.01Å; L191-Y218 HydrophobicContact CD2-CD2 4.27Å; L191-Y218 HydrophobicContact CG-CD2 4.24Å; L191-D222 HydrophobicContact CB-CB 4.43Å; L191-D222 HydrophobicContact CD1-CB 3.62Å; L191-D222 HydrophobicContact CG-CB 3.96Å; L191-E223 VanDerWaalsContact CD1-OE2 3.22Å; L191-E223 WeakPolarHBondContact CD1-OE2 3.34Å; L191-H226 PolarHBondContact O-CE1 3.34Å; L191-H226 PolarHBondContact O-NE2 2.91Å
192P85.7Confident88.5Confident23 Ų2327.5 Ų27.515%0.14915%0.145CC..  trans-63.8156.5162.4-23.435.8000111.3H188 S194 Y198 H226H188-P192 VanDerWaalsContact CD2-CG 3.47Å; H188-P192 WeakPolarHBondContact CD2-CG 3.22Å; P192-S194 VanDerWaalsContact C-N 3.26Å; P192-S194 PolarHBondContact O-N 3Å; P192-Y198 HydrophobicContact CG-CD2 3.71Å; P192-Y198 HydrophobicContact CG-CG 4.17Å; P192-H226 PolarHBondContact O-CD2 3.39Å; P192-H226 PolarHBondContact O-NE2 3.2Å; P192-H226 VanDerWaalsContact O-NE2 3.1Å
193D74.5Confident88.4Confident61 Ų6126 Ų2633%0.32614%0.141SC..SBendtrans-69.6-22176.959.5-19000113.4N197 H226D193-N197 WeakPolarHBondContact OD1-CB 3.42Å; D193-N197 VanDerWaalsContact OD1-CG 3.28Å; D193-N197 PolarHBondContact OD1-ND2 3.23Å; D193-N197 PolarHBondContact OD2-ND2 2.85Å; D193-H226 VanDerWaalsContact CA-CE1 3.46Å; D193-H226 WeakPolarHBondContact CA-CE1 3.44Å; D193-H226 PolarHBondContact N-CE1 3.34Å; D193-H226 PolarHBondContact N-NE2 2.91Å
194S74.7Confident88.1Confident30 Ų3026.3 Ų26.321%0.2114%0.142CC..SBendtrans-154.5158.6172.2910000113P192 E196 N197 Y198P192-S194 VanDerWaalsContact C-N 3.26Å; P192-S194 PolarHBondContact O-N 3Å; S194-E196 WeakPolarHBondContact CB-OE2 3.48Å; S194-E196 PolarHBondContact O-N 2.91Å; S194-E196 PolarHBondContact OG-N 3.32Å; S194-E196 PolarHBondContact OG-OE2 2.96Å; S194-N197 PolarHBondContact O-N 3.12Å; S194-N197 PolarHBondContact OG-N 3.43Å; S194-Y198 PolarHBondContact O-N 2.85Å
195P78.8Confident88Confident101 Ų10124.1 Ų24.166%0.65613%0.134SC*.Hα-helixtrans-58.6-30.1173.1-24.735000113.7Y198 L199P195-Y198 WeakPolarHBondContact O-CB 3.35Å; P195-Y198 PolarHBondContact O-N 2.83Å; P195-L199 WeakPolarHBondContact O-CB 3.33Å; P195-L199 PolarHBondContact O-N 3.13Å
196E75.8Confident87.8Confident40 Ų4024 Ų2419%0.18713%0.133CC..Hα-helixtrans-67.2-43.3176.2-59.785.3171.600111.7T65 S194 L199 Q200T65-E196 HydrophobicContact CG2-CG 4.11Å; T65-E196 WeakPolarHBondContact CG2-OE1 3.42Å; S194-E196 WeakPolarHBondContact CB-OE2 3.48Å; S194-E196 PolarHBondContact O-N 2.91Å; S194-E196 PolarHBondContact OG-N 3.32Å; S194-E196 PolarHBondContact OG-OE2 2.96Å; E196-L199 PolarHBondContact O-N 3.16Å; E196-Q200 PolarHBondContact O-N 3.45Å
197N80.9Confident87.6Confident13 Ų1329 Ų297%0.0715%0.152CC..Hα-helixtrans-67.4-40.5176-77.7-1.1000110.7D193 S194 L199 Q200 E201D193-N197 WeakPolarHBondContact OD1-CB 3.42Å; D193-N197 VanDerWaalsContact OD1-CG 3.28Å; D193-N197 PolarHBondContact OD1-ND2 3.23Å; D193-N197 PolarHBondContact OD2-ND2 2.85Å; S194-N197 PolarHBondContact O-N 3.12Å; S194-N197 PolarHBondContact OG-N 3.43Å; N197-L199 VanDerWaalsContact C-N 3.34Å; N197-L199 PolarHBondContact O-N 3.14Å; N197-Q200 PolarHBondContact O-N 3.39Å; N197-E201 VanDerWaalsContact O-CB 3.31Å; N197-E201 WeakPolarHBondContact O-CB 3.28Å; N197-E201 WeakPolarHBondContact O-CG 3.37Å; N197-E201 PolarHBondContact O-N 3.47Å
198Y88.2Confident87.4Confident46 Ų4631.3 Ų31.318%0.1816%0.164CC..Hα-helixtrans-51.8-53.6170.3-179.1-113.6000111.4Y96 H188 P192 S194 P195 Q200 E201 V202Y96-Y198 HydrophobicContact CD1-CE1 4.18Å; Y96-Y198 WeakPolarHBondContact CD1-OH 3.29Å; Y96-Y198 HydrophobicContact CE1-CE1 4.11Å; H188-Y198 AromaticContact CE1-CD2 3.55Å; H188-Y198 AromaticContact CE1-CE2 3.76Å; H188-Y198 AromaticContact ND1-CD2 3.67Å; H188-Y198 AromaticContact ND1-CE2 3.5Å; H188-Y198 WeakPolarHBondContact ND1-CE2 3.36Å; H188-Y198 AromaticContact NE2-CD2 3.98Å; P192-Y198 HydrophobicContact CG-CD2 3.71Å; P192-Y198 HydrophobicContact CG-CG 4.17Å; S194-Y198 PolarHBondContact O-N 2.85Å; P195-Y198 WeakPolarHBondContact O-CB 3.35Å; P195-Y198 PolarHBondContact O-N 2.83Å; Y198-Q200 VanDerWaalsContact C-N 3.33Å; Y198-Q200 PolarHBondContact O-N 3.12Å; Y198-E201 PolarHBondContact O-N 3.45Å; Y198-V202 HydrophobicContact CD1-CG1 4.48Å; Y198-V202 HydrophobicContact CD2-CG1 3.88Å; Y198-V202 HydrophobicContact CE1-CG1 4.14Å; Y198-V202 HydrophobicContact CE2-CG1 3.53Å; Y198-V202 HydrophobicContact CG-CG1 4.38Å; Y198-V202 WeakPolarHBondContact O-CG1 3.4Å; Y198-V202 WeakPolarHBondContact O-CG2 3.47Å; Y198-V202 PolarHBondContact O-N 2.81Å
199L86.8Confident87.2Confident48 Ų4833.3 Ų33.325%0.25119%0.185SC..Hα-helixtrans-62.5-39-177.4-173.863.6000112.3T63 V89 P195 E196 N197 V202 G203T63-L199 HydrophobicContact CG2-CB 4.2Å; T63-L199 HydrophobicContact CG2-CD2 4.12Å; T63-L199 HydrophobicContact CG2-CG 4.23Å; V89-L199 HydrophobicContact CB-CD2 3.98Å; V89-L199 HydrophobicContact CG1-CD2 4Å; V89-L199 HydrophobicContact CG2-CD2 4.4Å; P195-L199 WeakPolarHBondContact O-CB 3.33Å; P195-L199 PolarHBondContact O-N 3.13Å; E196-L199 PolarHBondContact O-N 3.16Å; N197-L199 VanDerWaalsContact C-N 3.34Å; N197-L199 PolarHBondContact O-N 3.14Å; L199-V202 HydrophobicContact CD1-CG2 4.44Å; L199-V202 WeakPolarHBondContact O-CG2 3.46Å; L199-G203 PolarHBondContact O-N 3.35Å
200Q85Confident87.1Confident43 Ų4335.7 Ų35.720%0.20120%0.197CC..Hα-helixtrans-67.6-39177-164.5-178.726.300112T63 E196 N197 Y198T63-Q200 HydrophobicContact CG2-CB 4.02Å; E196-Q200 PolarHBondContact O-N 3.45Å; N197-Q200 PolarHBondContact O-N 3.39Å; Y198-Q200 VanDerWaalsContact C-N 3.33Å; Y198-Q200 PolarHBondContact O-N 3.12Å
201E90.9Very high87.2Confident15 Ų1536.1 Ų36.17%0.0720%0.2CC..Hα-helixtrans-71.4-49.1-179.3-74.2172.3162.800111.9Y121 H188 N197 Y198 G203 R204Y121-E201 HydrophobicContact CD2-CB 3.98Å; Y121-E201 HydrophobicContact CD2-CG 4.21Å; Y121-E201 HydrophobicContact CE1-CG 4.19Å; Y121-E201 HydrophobicContact CE2-CB 3.6Å; Y121-E201 HydrophobicContact CE2-CG 3.82Å; H188-E201 IonicContact CD2-OE2 2.68Å; H188-E201 PolarHBondContact CD2-OE2 3.37Å; H188-E201 IonicContact CE1-OE2 3.23Å; H188-E201 IonicContact NE2-OE2 2.67Å; H188-E201 PolarHBondContact NE2-OE2 2.68Å; N197-E201 VanDerWaalsContact O-CB 3.31Å; N197-E201 WeakPolarHBondContact O-CB 3.28Å; N197-E201 WeakPolarHBondContact O-CG 3.37Å; N197-E201 PolarHBondContact O-N 3.47Å; Y198-E201 PolarHBondContact O-N 3.45Å; E201-G203 VanDerWaalsContact C-N 3.25Å; E201-G203 PolarHBondContact O-N 2.61Å; E201-R204 WeakPolarHBondContact O-CB 3.3Å; E201-R204 WeakPolarHBondContact O-CG 3.47Å; E201-R204 PolarHBondContact O-N 3.18Å
202V92.1Very high87.4Confident0 Ų034.8 Ų34.80%019%0.194CC..Hα-helixtrans-64.7-32175.3-57.40000111.7Y96 V186 Y198 L199 R204 A205 A214Y96-V202 HydrophobicContact CE1-CG2 4.07Å; V186-V202 HydrophobicContact CG1-CG1 4.49Å; Y198-V202 HydrophobicContact CD1-CG1 4.48Å; Y198-V202 HydrophobicContact CD2-CG1 3.88Å; Y198-V202 HydrophobicContact CE1-CG1 4.14Å; Y198-V202 HydrophobicContact CE2-CG1 3.53Å; Y198-V202 HydrophobicContact CG-CG1 4.38Å; Y198-V202 WeakPolarHBondContact O-CG1 3.4Å; Y198-V202 WeakPolarHBondContact O-CG2 3.47Å; Y198-V202 PolarHBondContact O-N 2.81Å; L199-V202 HydrophobicContact CD1-CG2 4.44Å; L199-V202 WeakPolarHBondContact O-CG2 3.46Å; V202-R204 PolarHBondContact O-N 3.01Å; V202-A205 VanDerWaalsContact O-CB 3.27Å; V202-A205 WeakPolarHBondContact O-CB 3.43Å; V202-A205 PolarHBondContact O-N 2.94Å; V202-A214 HydrophobicContact CB-CB 3.83Å; V202-A214 HydrophobicContact CG1-CB 3.58Å
203G90Very high87.9Confident17 Ų1735 Ų3518%0.17519%0.193CC..THydrogen-bonded Turntrans-62.1-10.4178.200000114.9R91 L199 E201 A205R91-G203 PolarHBondContact NH1-O 3.27Å; L199-G203 PolarHBondContact O-N 3.35Å; E201-G203 VanDerWaalsContact C-N 3.25Å; E201-G203 PolarHBondContact O-N 2.61Å; G203-A205 VanDerWaalsContact C-N 3.31Å
204R90.3Very high88.9Confident8 Ų832.1 Ų32.13%0.0318%0.177CC..THydrogen-bonded Turntrans-71.8-26.4170.6-60.6178.9-166.2-67.1-24.7112.8I119 Y121 G175 I183 E201 V202I119-R204 HydrophobicContact CD1-CB 4.36Å; Y121-R204 WeakPolarHBondContact OH-CD 3.41Å; Y121-R204 PolarHBondContact OH-NE 3.08Å; G175-R204 VanDerWaalsContact C-NH2 3.32Å; G175-R204 PolarHBondContact O-NH1 3.12Å; G175-R204 PolarHBondContact O-NH2 3Å; I183-R204 HydrophobicContact CD1-CB 4.04Å; E201-R204 WeakPolarHBondContact O-CB 3.3Å; E201-R204 WeakPolarHBondContact O-CG 3.47Å; E201-R204 PolarHBondContact O-N 3.18Å; V202-R204 PolarHBondContact O-N 3.01Å
205A93.4Very high89.9Confident0 Ų030.7 Ų30.70%017%0.167CC..THydrogen-bonded Turntrans-68.4148.217800000111.2R91 I94 I183 V186 V202 G203 R207R91-A205 PolarHBondContact NH2-O 3.37Å; I94-A205 HydrophobicContact CD1-CB 4.14Å; I94-A205 HydrophobicContact CG1-CB 4.42Å; I183-A205 HydrophobicContact CG2-CB 4.35Å; I183-A205 WeakPolarHBondContact O-CA 3.49Å; V186-A205 HydrophobicContact CG2-CB 3.94Å; V202-A205 VanDerWaalsContact O-CB 3.27Å; V202-A205 WeakPolarHBondContact O-CB 3.43Å; V202-A205 PolarHBondContact O-N 2.94Å; G203-A205 VanDerWaalsContact C-N 3.31Å; A205-R207 VanDerWaalsContact C-N 3.33Å; A205-R207 PolarHBondContact O-N 3.42Å
206G93.3Very high90.7Very high0 Ų027 Ų270%014%0.141CC..THydrogen-bonded Turntrans57.238.1166.200000115.3R91 N93 I183 D208 G209 Q210 S212R91-G206 PolarHBondContact NH2-O 3.45Å; N93-G206 WeakPolarHBondContact ND2-CA 3.44Å; N93-G206 PolarHBondContact ND2-O 3.22Å; I183-G206 PolarHBondContact O-N 3.18Å; G206-D208 WeakPolarHBondContact CA-OD1 3.41Å; G206-D208 PolarHBondContact O-N 3.34Å; G206-G209 WeakPolarHBondContact O-CA 3.44Å; G206-G209 PolarHBondContact O-N 3.47Å; G206-Q210 WeakPolarHBondContact CA-O 3.42Å; G206-S212 WeakPolarHBondContact CA-OG 3.02Å; G206-S212 PolarHBondContact N-OG 3.11Å; G206-S212 VanDerWaalsContact N-OG 3.12Å
207R91.9Very high91.6Very high105 Ų10525.1 Ų25.140%0.39613%0.133SC..THydrogen-bonded Turntrans-70-23.2-179.6-84.5-173.7179.9-174.97.7113I178 N179 E181 A205 G209I178-R207 PolarHBondContact O-NH1 3.18Å; N179-R207 PolarHBondContact OD1-NH1 3.36Å; E181-R207 HydrophobicContact CB-CB 4.44Å; E181-R207 PolarHBondContact O-N 3.44Å; A205-R207 VanDerWaalsContact C-N 3.33Å; A205-R207 PolarHBondContact O-N 3.42Å; R207-G209 PolarHBondContact O-N 3.31Å
208D93.5Very high92Very high48 Ų4827 Ų2726%0.25714%0.14SC..THydrogen-bonded Turntrans-71.54.916553.91.6000114E181 N182 R184 G206 Q210E181-D208 HydrophobicContact CB-CB 4Å; E181-D208 PolarHBondContact O-N 2.89Å; E181-D208 VanDerWaalsContact O-OD1 3.05Å; N182-D208 WeakPolarHBondContact CA-OD2 3.38Å; R184-D208 IonicContact CZ-OD1 3.07Å; R184-D208 IonicContact CZ-OD2 3.11Å; R184-D208 VanDerWaalsContact CZ-OD2 3.31Å; R184-D208 IonicContact NH1-OD1 3.38Å; R184-D208 IonicContact NH1-OD2 3.41Å; R184-D208 PolarHBondContact NH1-OD2 3.33Å; R184-D208 VanDerWaalsContact NH2-CG 3.32Å; R184-D208 IonicContact NH2-OD1 2.68Å; R184-D208 PolarHBondContact NH2-OD1 3.01Å; R184-D208 IonicContact NH2-OD2 3.86Å; R184-D208 PolarHBondContact NH2-OD2 3.33Å; R184-D208 VanDerWaalsContact NH2-OD2 3.09Å; G206-D208 WeakPolarHBondContact CA-OD1 3.41Å; G206-D208 PolarHBondContact O-N 3.34Å; D208-Q210 HydrophobicContact CB-CB 4.49Å; D208-Q210 HydrophobicContact CB-CG 4.01Å; D208-Q210 VanDerWaalsContact CG-CB 3.45Å; D208-Q210 PolarHBondContact O-N 2.91Å; D208-Q210 VanDerWaalsContact O-N 3.14Å; D208-Q210 PolarHBondContact O-NE2 3.04Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.15Å; D208-Q210 PolarHBondContact OD1-N 2.91Å; D208-Q210 VanDerWaalsContact OD1-N 3.11Å; D208-Q210 WeakPolarHBondContact OD2-CB 3.33Å; D208-Q210 WeakPolarHBondContact OD2-CG 3.48Å
209G91.6Very high91.9Very high42 Ų4228.4 Ų28.443%0.43315%0.148SC..SBendtrans70.62.4-175.100000113.6N93 G206 R207N93-G209 WeakPolarHBondContact CB-O 3.45Å; G206-G209 WeakPolarHBondContact O-CA 3.44Å; G206-G209 PolarHBondContact O-N 3.47Å; R207-G209 PolarHBondContact O-N 3.31Å
210Q92.8Very high91.6Very high65 Ų6530.7 Ų30.730%0.30417%0.173SC..  trans-78.5139.3-179.6-66.4-42.4-89.300109.9N93 G206 D208 S212 P528N93-Q210 PolarHBondContact ND2-O 2.97Å; G206-Q210 WeakPolarHBondContact CA-O 3.42Å; D208-Q210 HydrophobicContact CB-CB 4.49Å; D208-Q210 HydrophobicContact CB-CG 4.01Å; D208-Q210 VanDerWaalsContact CG-CB 3.45Å; D208-Q210 PolarHBondContact O-N 2.91Å; D208-Q210 VanDerWaalsContact O-N 3.14Å; D208-Q210 PolarHBondContact O-NE2 3.04Å; D208-Q210 WeakPolarHBondContact OD1-CB 3.15Å; D208-Q210 PolarHBondContact OD1-N 2.91Å; D208-Q210 VanDerWaalsContact OD1-N 3.11Å; D208-Q210 WeakPolarHBondContact OD2-CB 3.33Å; D208-Q210 WeakPolarHBondContact OD2-CG 3.48Å; Q210-S212 PolarHBondContact O-N 3.19Å; Q210-S212 PolarHBondContact O-OG 2.98Å; Q210-P528 HydrophobicContact CB-CB 3.9Å; Q210-P528 HydrophobicContact CB-CG 3.23Å; Q210-P528 HydrophobicContact CG-CG 3.53Å
211P92.1Very high91.1Very high23 Ų2329.9 Ų29.915%0.14918%0.177CC..  trans-54139.6178-3739.2000115.3N93 R184 P528 D529N93-P211 CarbonylContact O-C 3.55Å; N93-P211 WeakPolarHBondContact O-CA 3.25Å; R184-P211 PolarHBondContact NE-O 2.92Å; P211-P528 VanDerWaalsContact CB-C 3.41Å; P211-P528 HydrophobicContact CB-CB 4.08Å; P211-P528 VanDerWaalsContact CD-CD 3.42Å; P211-P528 HydrophobicContact CG-CB 4.17Å; P211-D529 HydrophobicContact CB-CB 3.68Å; P211-D529 HydrophobicContact CG-CB 3.53Å
212S93.6Very high90.6Very high3 Ų329.7 Ų29.72%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-150.1161.7-171.5-55.90000109.3N93 I94 S95 I183 R184 G206 Q210N93-S212 PolarHBondContact O-N 3.24Å; I94-S212 WeakPolarHBondContact CA-O 2.99Å; S95-S212 PolarHBondContact N-O 3.29Å; I183-S212 PolarHBondContact O-OG 3.31Å; R184-S212 PolarHBondContact NE-OG 3.21Å; R184-S212 PolarHBondContact NH2-OG 3.12Å; R184-S212 CarbonylContact O-C 3.56Å; R184-S212 WeakPolarHBondContact O-CA 3.46Å; R184-S212 VanDerWaalsContact O-CB 3.26Å; R184-S212 WeakPolarHBondContact O-CB 3.47Å; G206-S212 WeakPolarHBondContact CA-OG 3.02Å; G206-S212 PolarHBondContact N-OG 3.11Å; G206-S212 VanDerWaalsContact N-OG 3.12Å; Q210-S212 PolarHBondContact O-N 3.19Å; Q210-S212 PolarHBondContact O-OG 2.98Å
213Q95.8Very high89.8Confident28 Ų2834.4 Ų34.413%0.13120%0.198CC..EExtended strand (participates in β ladder)trans-119.4131.2-174.4-55.1-172.13900111.1S95 F97 L114 R184 F185 V186 I215S95-Q213 CarbonylContact O-C 3.58Å; S95-Q213 WeakPolarHBondContact O-CA 2.98Å; F97-Q213 HydrophobicContact CD2-CB 4.31Å; F97-Q213 HydrophobicContact CE2-CB 4.16Å; F97-Q213 HydrophobicContact CE2-CG 3.98Å; L114-Q213 VanDerWaalsContact CD2-NE2 3.34Å; R184-Q213 PolarHBondContact O-N 3.43Å; F185-Q213 CarbonylContact C-O 3.56Å; F185-Q213 WeakPolarHBondContact CA-O 3.32Å; F185-Q213 HydrophobicContact CB-CB 4.38Å; V186-Q213 PolarHBondContact N-O 3.21Å; Q213-I215 HydrophobicContact CB-CD1 4.15Å; Q213-I215 HydrophobicContact CB-CG1 4.05Å
214A95.1Very high88.9Confident0 Ų041.8 Ų41.80%022%0.222CC..EExtended strand (participates in β ladder)trans-102.7115.5166.600000107.9I94 S95 Y96 F97 V186 V202I94-A214 HydrophobicContact CG2-CB 3.72Å; S95-A214 PolarHBondContact O-N 2.64Å; Y96-A214 CarbonylContact C-O 3.18Å; Y96-A214 WeakPolarHBondContact CA-O 3.26Å; Y96-A214 HydrophobicContact CD1-CB 3.8Å; Y96-A214 HydrophobicContact CE1-CB 4.05Å; Y96-A214 HydrophobicContact CG-CB 4.4Å; F97-A214 PolarHBondContact N-O 3.01Å; V186-A214 WeakPolarHBondContact O-CA 3.46Å; V202-A214 HydrophobicContact CB-CB 3.83Å; V202-A214 HydrophobicContact CG1-CB 3.58Å
215I96.2Very high87.9Confident0 Ų043.7 Ų43.70%023%0.232CC..EExtended strand (participates in β ladder)trans-123.4125.5-172-55174.8000108.9F97 Y99 L110 L114 V186 I187 H188 Q213 L217F97-I215 HydrophobicContact CB-CG1 4.26Å; F97-I215 HydrophobicContact CB-CG2 4.44Å; F97-I215 HydrophobicContact CD2-CG1 4.16Å; F97-I215 CarbonylContact O-C 3.52Å; F97-I215 WeakPolarHBondContact O-CA 3.39Å; Y99-I215 HydrophobicContact CD2-CG2 3.52Å; Y99-I215 HydrophobicContact CE2-CG2 3.61Å; L110-I215 HydrophobicContact CD1-CD1 4.23Å; L110-I215 HydrophobicContact CD1-CG2 3.79Å; L110-I215 HydrophobicContact CD2-CD1 3.97Å; L114-I215 HydrophobicContact CD1-CD1 3.66Å; L114-I215 HydrophobicContact CD2-CD1 4.43Å; V186-I215 PolarHBondContact O-N 3.4Å; I187-I215 CarbonylContact C-O 3.6Å; I187-I215 VanDerWaalsContact CA-O 3.26Å; I187-I215 WeakPolarHBondContact CA-O 3.38Å; I187-I215 HydrophobicContact CG1-CB 4.15Å; I187-I215 HydrophobicContact CG1-CD1 4.26Å; H188-I215 PolarHBondContact N-O 3.27Å; Q213-I215 HydrophobicContact CB-CD1 4.15Å; Q213-I215 HydrophobicContact CB-CG1 4.05Å; I215-L217 HydrophobicContact CG2-CD2 4.13Å
216L95.4Very high86.5Confident22 Ų2244.8 Ų44.812%0.11524%0.237CC..EExtended strand (participates in β ladder)trans-107.9123.1173.1174.863.8000109.9F97 V98 Y99 H188 L191F97-L216 PolarHBondContact O-N 2.66Å; V98-L216 CarbonylContact C-O 3.58Å; V98-L216 WeakPolarHBondContact CA-O 3.44Å; V98-L216 HydrophobicContact CG1-CD2 4.35Å; V98-L216 HydrophobicContact CG1-CG 4.47Å; V98-L216 HydrophobicContact CG2-CB 4.29Å; V98-L216 HydrophobicContact CG2-CD2 4.4Å; Y99-L216 PolarHBondContact N-O 3.2Å; H188-L216 HydrophobicContact CB-CD1 3.6Å; L191-L216 HydrophobicContact CD2-CD1 4.01Å; L191-L216 HydrophobicContact CD2-CD2 3.78Å; L191-L216 HydrophobicContact CD2-CG 4.45Å
217L94.3Very high85Confident1 Ų149.6 Ų49.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-93.8114.8169.6-51.4-176.9000108Y99 K103 K106 L107 L110 I187 H188 Y189 I215Y99-L217 HydrophobicContact CD2-CD2 4.09Å; Y99-L217 HydrophobicContact CG-CD2 4.5Å; K103-L217 WeakPolarHBondContact CE-O 3.43Å; K103-L217 HydrophobicContact CG-CB 3.96Å; K106-L217 HydrophobicContact CB-CD2 4.25Å; K106-L217 HydrophobicContact CG-CD2 3.8Å; L107-L217 HydrophobicContact CB-CD1 3.81Å; L107-L217 HydrophobicContact CD1-CD1 4.19Å; L110-L217 HydrophobicContact CD1-CD2 3.78Å; I187-L217 HydrophobicContact CG2-CD1 4.02Å; I187-L217 HydrophobicContact CG2-CG 4Å; H188-L217 PolarHBondContact O-N 3.33Å; Y189-L217 HydrophobicContact CD2-CD1 3.97Å; I215-L217 HydrophobicContact CG2-CD2 4.13Å
218Y90.5Very high83.3Confident54 Ų5447.3 Ų47.321%0.21225%0.253CS..  trans-115.7129-174.2173.7-93.5000110.7Y99 Q100 L191 E223Y99-Y218 PolarHBondContact O-N 2.9Å; Q100-Y218 WeakPolarHBondContact CA-O 3.27Å; Q100-Y218 HydrophobicContact CG-CD1 3.86Å; L191-Y218 HydrophobicContact CD1-CD2 4.08Å; L191-Y218 HydrophobicContact CD1-CE2 4.01Å; L191-Y218 HydrophobicContact CD2-CD2 4.27Å; L191-Y218 HydrophobicContact CG-CD2 4.24Å; Y218-E223 VanDerWaalsContact CE2-OE1 3.23Å; Y218-E223 WeakPolarHBondContact CE2-OE1 3.19Å; Y218-E223 VanDerWaalsContact CZ-OE1 3.3Å; Y218-E223 PolarHBondContact OH-OE1 3.37Å
219E85.4Confident81.7Confident75 Ų7548.2 Ų48.235%0.3526%0.257SS..  trans-121.8147.6166-81.3173-172.200110.5T102 K103 G221 D222T102-E219 WeakPolarHBondContact CA-OE1 3.36Å; K103-E219 HydrophobicContact CD-CB 4.31Å; K103-E219 HydrophobicContact CD-CG 4.02Å; K103-E219 HydrophobicContact CG-CG 3.78Å; K103-E219 WeakPolarHBondContact CG-OE1 3.33Å; K103-E219 PolarHBondContact N-OE1 3.1Å; E219-G221 PolarHBondContact O-N 3.36Å; E219-G221 VanDerWaalsContact O-N 3.11Å; E219-D222 PolarHBondContact N-OD2 2.66Å; E219-D222 WeakPolarHBondContact O-CB 3.19Å; E219-D222 VanDerWaalsContact O-CG 3.24Å; E219-D222 PolarHBondContact O-N 3.11Å; E219-D222 VanDerWaalsContact O-N 3.12Å
220A79.9Confident80.2Confident95 Ų9550.5 Ų50.579%0.78526%0.256SS*.THydrogen-bonded Turntrans-58.9119.5175.100000110.2
221G75.4Confident78.6Confident27 Ų2751.6 Ų51.628%0.27826%0.262SS..THydrogen-bonded Turntrans110.3-6.8-178.400000114.8E219 E223 Y224E219-G221 PolarHBondContact O-N 3.36Å; E219-G221 VanDerWaalsContact O-N 3.11Å; G221-E223 PolarHBondContact O-N 2.92Å; G221-Y224 WeakPolarHBondContact O-CB 3.47Å; G221-Y224 VanDerWaalsContact O-CD2 3.25Å; G221-Y224 WeakPolarHBondContact O-CD2 3.48Å; G221-Y224 PolarHBondContact O-N 3.37Å
222D79.9Confident76.8Confident11 Ų1154.1 Ų54.16%0.05927%0.271CS..THydrogen-bonded Turntrans-57.6-31.1173-75.7-18.4000113.1K103 L191 E219 Y224 I225K103-D222 WeakPolarHBondContact CE-OD2 3.36Å; K103-D222 IonicContact NZ-OD1 2.64Å; K103-D222 PolarHBondContact NZ-OD1 3.07Å; K103-D222 IonicContact NZ-OD2 3.89Å; K103-D222 PolarHBondContact NZ-OD2 2.81Å; L191-D222 HydrophobicContact CB-CB 4.43Å; L191-D222 HydrophobicContact CD1-CB 3.62Å; L191-D222 HydrophobicContact CG-CB 3.96Å; E219-D222 PolarHBondContact N-OD2 2.66Å; E219-D222 WeakPolarHBondContact O-CB 3.19Å; E219-D222 VanDerWaalsContact O-CG 3.24Å; E219-D222 PolarHBondContact O-N 3.11Å; E219-D222 VanDerWaalsContact O-N 3.12Å; D222-Y224 PolarHBondContact O-N 3.38Å; D222-Y224 VanDerWaalsContact O-N 3.07Å; D222-I225 HydrophobicContact CB-CD1 4.41Å; D222-I225 VanDerWaalsContact O-CB 3.31Å; D222-I225 WeakPolarHBondContact O-CB 3.39Å; D222-I225 WeakPolarHBondContact O-CG1 3.41Å; D222-I225 PolarHBondContact O-N 3.46Å
223E75.2Confident75.1Confident99 Ų9956.8 Ų56.846%0.46329%0.288SS..Hα-helixtrans-51.3-33174.7-20.1-72.2-178.700112L191 Y218 G221 I225 H227L191-E223 VanDerWaalsContact CD1-OE2 3.22Å; L191-E223 WeakPolarHBondContact CD1-OE2 3.34Å; Y218-E223 VanDerWaalsContact CE2-OE1 3.23Å; Y218-E223 WeakPolarHBondContact CE2-OE1 3.19Å; Y218-E223 VanDerWaalsContact CZ-OE1 3.3Å; Y218-E223 PolarHBondContact OH-OE1 3.37Å; G221-E223 PolarHBondContact O-N 2.92Å; E223-I225 VanDerWaalsContact C-N 3.34Å; E223-H227 PolarHBondContact O-N 2.66Å
224Y71.7Confident73.4Confident171 Ų17158.6 Ų58.667%0.67130%0.298SS*.Hα-helixtrans-76.4-20.8-177-60.4-64.9000113G221 D222 H226 H227 F228G221-Y224 WeakPolarHBondContact O-CB 3.47Å; G221-Y224 VanDerWaalsContact O-CD2 3.25Å; G221-Y224 WeakPolarHBondContact O-CD2 3.48Å; G221-Y224 PolarHBondContact O-N 3.37Å; D222-Y224 PolarHBondContact O-N 3.38Å; D222-Y224 VanDerWaalsContact O-N 3.07Å; Y224-H226 VanDerWaalsContact C-N 3.3Å; Y224-H226 PolarHBondContact O-N 3.15Å; Y224-H227 PolarHBondContact O-N 3.38Å; Y224-F228 PolarHBondContact O-N 2.97Å
225I67.9Low71.5Confident48 Ų4864.7 Ų64.725%0.24633%0.327CS..Hα-helixtrans-59.2-46.9178-61.7171.7000109.2A123 D190 D222 E223 F228 L229A123-I225 HydrophobicContact CB-CG2 3.67Å; D190-I225 HydrophobicContact CB-CD1 4.32Å; D222-I225 HydrophobicContact CB-CD1 4.41Å; D222-I225 VanDerWaalsContact O-CB 3.31Å; D222-I225 WeakPolarHBondContact O-CB 3.39Å; D222-I225 WeakPolarHBondContact O-CG1 3.41Å; D222-I225 PolarHBondContact O-N 3.46Å; E223-I225 VanDerWaalsContact C-N 3.34Å; I225-F228 PolarHBondContact O-N 2.91Å; I225-L229 HydrophobicContact CG2-CD1 4.27Å; I225-L229 WeakPolarHBondContact O-CG 3.44Å; I225-L229 PolarHBondContact O-N 3.25Å
226H66.1Low69.6Low24 Ų2466.3 Ų66.311%0.11134%0.338CS..Hα-helixtrans-75.6-32.3178.9-64.6-54.4000113L191 P192 D193 Y224 F228 L229 Q230L191-H226 PolarHBondContact O-CE1 3.34Å; L191-H226 PolarHBondContact O-NE2 2.91Å; P192-H226 PolarHBondContact O-CD2 3.39Å; P192-H226 PolarHBondContact O-NE2 3.2Å; P192-H226 VanDerWaalsContact O-NE2 3.1Å; D193-H226 VanDerWaalsContact CA-CE1 3.46Å; D193-H226 WeakPolarHBondContact CA-CE1 3.44Å; D193-H226 PolarHBondContact N-CE1 3.34Å; D193-H226 PolarHBondContact N-NE2 2.91Å; Y224-H226 VanDerWaalsContact C-N 3.3Å; Y224-H226 PolarHBondContact O-N 3.15Å; H226-F228 VanDerWaalsContact C-N 3.25Å; H226-F228 PolarHBondContact O-N 3.3Å; H226-L229 PolarHBondContact O-N 3Å; H226-Q230 VanDerWaalsContact O-CB 3.23Å; H226-Q230 WeakPolarHBondContact O-CB 3.39Å; H226-Q230 WeakPolarHBondContact O-CG 3.44Å; H226-Q230 PolarHBondContact O-N 3.35Å
227H59.8Low67.9Low100 Ų10067 Ų6746%0.46334%0.34SS..Hα-helixtrans-57.6-43.4172.8-166-87000110.9E223 Y224 Q230 E231E223-H227 PolarHBondContact O-N 2.66Å; Y224-H227 PolarHBondContact O-N 3.38Å; H227-Q230 PolarHBondContact O-N 2.91Å; H227-E231 IonicContact CE1-OE1 2.88Å; H227-E231 PolarHBondContact CE1-OE1 3Å; H227-E231 IonicContact ND1-OE1 2.67Å; H227-E231 PolarHBondContact ND1-OE1 3.4Å; H227-E231 IonicContact ND1-OE2 3.29Å; H227-E231 WeakPolarHBondContact O-CB 3.42Å; H227-E231 VanDerWaalsContact O-CG 3.29Å; H227-E231 WeakPolarHBondContact O-CG 3.34Å; H227-E231 PolarHBondContact O-N 3.26Å
228F57.9Low66.2Low58 Ų5873.2 Ų73.225%0.25437%0.367SS..Hα-helixtrans-66.1-42177.4-173.8-103.4000113Y224 I225 H226 E231 Q232 A423 A427Y224-F228 PolarHBondContact O-N 2.97Å; I225-F228 PolarHBondContact O-N 2.91Å; H226-F228 VanDerWaalsContact C-N 3.25Å; H226-F228 PolarHBondContact O-N 3.3Å; F228-E231 PolarHBondContact O-N 3.27Å; F228-Q232 PolarHBondContact O-N 3.33Å; F228-A423 HydrophobicContact CE1-CB 3.9Å; F228-A423 HydrophobicContact CZ-CB 3.71Å; F228-A423 VanDerWaalsContact CZ-O 3.29Å; F228-A423 WeakPolarHBondContact CZ-O 3.42Å; F228-A427 HydrophobicContact CD1-CB 4.4Å; F228-A427 HydrophobicContact CD2-CB 4.41Å; F228-A427 HydrophobicContact CE1-CB 4.26Å; F228-A427 HydrophobicContact CE2-CB 4.28Å; F228-A427 HydrophobicContact CG-CB 4.45Å; F228-A427 HydrophobicContact CZ-CB 4.18Å
229L59.4Low64.7Low66 Ų6674 Ų7435%0.34637%0.374SS..Hα-helixtrans-68.1-37.9177.2-67171.4000112.2I225 H226 T233I225-L229 HydrophobicContact CG2-CD1 4.27Å; I225-L229 WeakPolarHBondContact O-CG 3.44Å; I225-L229 PolarHBondContact O-N 3.25Å; H226-L229 PolarHBondContact O-N 3Å; L229-T233 PolarHBondContact O-N 3.02Å; L229-T233 PolarHBondContact O-OG1 3.06Å; L229-T233 VanDerWaalsContact O-OG1 3.13Å
230Q60.6Low63.6Low90 Ų9070.5 Ų70.542%0.42136%0.358SS..Hα-helixtrans-69.2-39.6175.1-72.7176.85.300111.4H226 H227 Q232 T233 D234H226-Q230 VanDerWaalsContact O-CB 3.23Å; H226-Q230 WeakPolarHBondContact O-CB 3.39Å; H226-Q230 WeakPolarHBondContact O-CG 3.44Å; H226-Q230 PolarHBondContact O-N 3.35Å; H227-Q230 PolarHBondContact O-N 2.91Å; Q230-Q232 VanDerWaalsContact C-N 3.32Å; Q230-Q232 PolarHBondContact O-N 2.92Å; Q230-T233 WeakPolarHBondContact O-CB 3.38Å; Q230-T233 PolarHBondContact O-N 3.18Å; Q230-T233 VanDerWaalsContact O-N 3.1Å; Q230-D234 PolarHBondContact O-N 3.47Å
231E57.9Low62.6Low89 Ų8969.1 Ų69.142%0.41634%0.336SS..Hα-helixtrans-59.5-39.8175.9-84.3-176.5162.200112.6H227 F228 T233 D234 Q235H227-E231 IonicContact CE1-OE1 2.88Å; H227-E231 PolarHBondContact CE1-OE1 3Å; H227-E231 IonicContact ND1-OE1 2.67Å; H227-E231 PolarHBondContact ND1-OE1 3.4Å; H227-E231 IonicContact ND1-OE2 3.29Å; H227-E231 WeakPolarHBondContact O-CB 3.42Å; H227-E231 VanDerWaalsContact O-CG 3.29Å; H227-E231 WeakPolarHBondContact O-CG 3.34Å; H227-E231 PolarHBondContact O-N 3.26Å; F228-E231 PolarHBondContact O-N 3.27Å; E231-T233 VanDerWaalsContact C-N 3.33Å; E231-D234 PolarHBondContact O-N 2.83Å; E231-Q235 WeakPolarHBondContact O-CG 3.4Å; E231-Q235 PolarHBondContact O-N 3.48Å
232Q55.3Low61.8Low75 Ų7571.8 Ų71.835%0.3534%0.342SS..Hα-helixtrans-62.4-42.5173.9-71.7-169.411.600111.8F228 Q230 D234 Q235 S236F228-Q232 PolarHBondContact O-N 3.33Å; Q230-Q232 VanDerWaalsContact C-N 3.32Å; Q230-Q232 PolarHBondContact O-N 2.92Å; Q232-D234 VanDerWaalsContact C-N 3.34Å; Q232-D234 PolarHBondContact O-N 2.94Å; Q232-Q235 PolarHBondContact O-N 2.95Å; Q232-S236 PolarHBondContact O-N 3.49Å
233T57.4Low60.8Low60 Ų6072.4 Ų72.437%0.36835%0.345SS..Hα-helixtrans-63.5-41.4176.6-520000111.1L229 Q230 E231 Q235 S236 K237L229-T233 PolarHBondContact O-N 3.02Å; L229-T233 PolarHBondContact O-OG1 3.06Å; L229-T233 VanDerWaalsContact O-OG1 3.13Å; Q230-T233 WeakPolarHBondContact O-CB 3.38Å; Q230-T233 PolarHBondContact O-N 3.18Å; Q230-T233 VanDerWaalsContact O-N 3.1Å; E231-T233 VanDerWaalsContact C-N 3.33Å; T233-Q235 VanDerWaalsContact C-N 3.34Å; T233-S236 PolarHBondContact O-N 2.95Å; T233-K237 WeakPolarHBondContact O-CG 3.49Å; T233-K237 PolarHBondContact O-N 3.38Å
234D59.3Low60Low66 Ų6671.4 Ų71.435%0.35334%0.34SS..Hα-helixtrans-69-30.5176.5-78.3-6.5000112.6Q230 E231 Q232 K237 K238Q230-D234 PolarHBondContact O-N 3.47Å; E231-D234 PolarHBondContact O-N 2.83Å; Q232-D234 VanDerWaalsContact C-N 3.34Å; Q232-D234 PolarHBondContact O-N 2.94Å; D234-K237 WeakPolarHBondContact O-CB 3.4Å; D234-K237 PolarHBondContact O-N 3.02Å; D234-K237 IonicContact OD1-NZ 3.34Å; D234-K238 WeakPolarHBondContact O-CG 3.16Å; D234-K238 PolarHBondContact O-N 3.35Å
235Q56.8Low59.4Low128 Ų12872.8 Ų72.860%0.59834%0.344SS*.Hα-helixtrans-67-45.3171.4-77-168.88.200111.7E231 Q232 T233 K237 K238 L239E231-Q235 WeakPolarHBondContact O-CG 3.4Å; E231-Q235 PolarHBondContact O-N 3.48Å; Q232-Q235 PolarHBondContact O-N 2.95Å; T233-Q235 VanDerWaalsContact C-N 3.34Å; Q235-K237 VanDerWaalsContact C-N 3.28Å; Q235-K237 PolarHBondContact O-N 3.4Å; Q235-K238 PolarHBondContact O-N 2.98Å; Q235-L239 WeakPolarHBondContact O-CB 3.09Å; Q235-L239 PolarHBondContact O-N 3.01Å
236S56.4Low58.7Low34 Ų3476 Ų7624%0.23836%0.36CS..Hα-helixtrans-59.3-39.9173.4-74.70000111.6Q232 T233 L239 F240 D253Q232-S236 PolarHBondContact O-N 3.49Å; T233-S236 PolarHBondContact O-N 2.95Å; S236-L239 WeakPolarHBondContact O-CB 3.42Å; S236-L239 PolarHBondContact O-N 3.48Å; S236-F240 PolarHBondContact O-N 3.02Å; S236-D253 PolarHBondContact OG-OD2 3.46Å; S236-D253 VanDerWaalsContact OG-OD2 3.04Å
237K58.6Low58.1Low37 Ų3781.2 Ų81.216%0.16139%0.393CS..Hα-helixtrans-59.8-51.2172-75.2170.7-178.7171.90112.1D37 T233 D234 Q235 L239 F240 E241 W259 L274D37-K237 WeakPolarHBondContact OD1-CE 3.33Å; D37-K237 IonicContact OD1-NZ 3.64Å; D37-K237 PolarHBondContact OD1-NZ 3.16Å; D37-K237 VanDerWaalsContact OD2-CE 3.25Å; D37-K237 WeakPolarHBondContact OD2-CE 3.45Å; D37-K237 IonicContact OD2-NZ 3.9Å; D37-K237 PolarHBondContact OD2-NZ 2.9Å; T233-K237 WeakPolarHBondContact O-CG 3.49Å; T233-K237 PolarHBondContact O-N 3.38Å; D234-K237 WeakPolarHBondContact O-CB 3.4Å; D234-K237 PolarHBondContact O-N 3.02Å; D234-K237 IonicContact OD1-NZ 3.34Å; Q235-K237 VanDerWaalsContact C-N 3.28Å; Q235-K237 PolarHBondContact O-N 3.4Å; K237-L239 VanDerWaalsContact C-N 3.3Å; K237-L239 PolarHBondContact O-N 3.16Å; K237-F240 WeakPolarHBondContact O-CA 3.42Å; K237-F240 WeakPolarHBondContact O-CB 3.43Å; K237-F240 PolarHBondContact O-N 3.45Å; K237-F240 VanDerWaalsContact O-N 3.09Å; K237-E241 WeakPolarHBondContact O-CG 3.49Å; K237-E241 PolarHBondContact O-N 3Å; K237-W259 HydrophobicContact CG-CH2 3.92Å; K237-L274 HydrophobicContact CD-CD2 4.49Å
238K58.6Low57.7Low130 Ų13084.1 Ų84.157%0.56541%0.412SS*.Hα-helixtrans-59.7-40.2177.5-76.2172.5-175.5168.30112D234 Q235 F240 E241 I242D234-K238 WeakPolarHBondContact O-CG 3.16Å; D234-K238 PolarHBondContact O-N 3.35Å; Q235-K238 PolarHBondContact O-N 2.98Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 3.44Å; K238-E241 PolarHBondContact O-N 3.32Å; K238-I242 WeakPolarHBondContact O-CD1 3.31Å; K238-I242 VanDerWaalsContact O-CG1 3.27Å; K238-I242 WeakPolarHBondContact O-CG1 3.23Å; K238-I242 PolarHBondContact O-N 3.48Å
239L60.2Low57.4Low70 Ų7084.6 Ų84.637%0.36642%0.417SS..Hα-helixtrans-59.6-42.3174.9-117.169.4000111.2Q235 S236 K237 I242 K243 F251 I256Q235-L239 WeakPolarHBondContact O-CB 3.09Å; Q235-L239 PolarHBondContact O-N 3.01Å; S236-L239 WeakPolarHBondContact O-CB 3.42Å; S236-L239 PolarHBondContact O-N 3.48Å; K237-L239 VanDerWaalsContact C-N 3.3Å; K237-L239 PolarHBondContact O-N 3.16Å; L239-I242 PolarHBondContact O-N 3.36Å; L239-K243 PolarHBondContact O-N 3.03Å; L239-F251 HydrophobicContact CB-CE1 4.36Å; L239-F251 HydrophobicContact CD2-CD1 3.51Å; L239-F251 HydrophobicContact CD2-CE1 3.43Å; L239-F251 VanDerWaalsContact CD2-CE1 3.43Å; L239-F251 HydrophobicContact CD2-CZ 4.4Å; L239-F251 HydrophobicContact CG-CD1 3.97Å; L239-F251 HydrophobicContact CG-CE1 3.47Å; L239-F251 VanDerWaalsContact CG-CE1 3.47Å; L239-F251 HydrophobicContact CG-CZ 3.97Å; L239-I256 HydrophobicContact CB-CD1 4.39Å
240F61.9Low57Low3 Ų387.6 Ų87.61%0.01344%0.437CS..Hα-helixtrans-65.1-42.8174.2-173.8-111.8000113S236 K237 K238 I242 K243 Q244 I256 W259 E260 L270S236-F240 PolarHBondContact O-N 3.02Å; K237-F240 WeakPolarHBondContact O-CA 3.42Å; K237-F240 WeakPolarHBondContact O-CB 3.43Å; K237-F240 PolarHBondContact O-N 3.45Å; K237-F240 VanDerWaalsContact O-N 3.09Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 3.44Å; F240-I242 VanDerWaalsContact C-N 3.27Å; F240-I242 PolarHBondContact O-N 3.01Å; F240-K243 WeakPolarHBondContact O-CB 3.24Å; F240-K243 PolarHBondContact O-N 2.97Å; F240-Q244 HydrophobicContact CD1-CG 4.17Å; F240-Q244 HydrophobicContact CE1-CG 4Å; F240-Q244 HydrophobicContact CZ-CG 4.23Å; F240-Q244 WeakPolarHBondContact O-CB 3.46Å; F240-Q244 WeakPolarHBondContact O-CG 3.36Å; F240-Q244 PolarHBondContact O-N 3.3Å; F240-I256 HydrophobicContact CB-CD1 4.05Å; F240-I256 HydrophobicContact CB-CG1 4.02Å; F240-I256 HydrophobicContact CD2-CB 4.04Å; F240-I256 HydrophobicContact CD2-CD1 4.25Å; F240-I256 HydrophobicContact CD2-CG1 3.74Å; F240-I256 HydrophobicContact CD2-CG2 3.73Å; F240-I256 HydrophobicContact CE2-CG2 4.07Å; F240-I256 HydrophobicContact CG-CG1 4.32Å; F240-W259 HydrophobicContact CB-CE3 3.84Å; F240-W259 HydrophobicContact CB-CZ3 3.46Å; F240-W259 VanDerWaalsContact CB-CZ3 3.46Å; F240-W259 HydrophobicContact CD1-CD2 4.34Å; F240-W259 AromaticContact CD1-CE3 3.31Å; F240-W259 HydrophobicContact CD1-CE3 3.31Å; F240-W259 AromaticContact CD1-CZ3 3.48Å; F240-W259 HydrophobicContact CD1-CZ3 3.48Å; F240-W259 VanDerWaalsContact CD1-CZ3 3.48Å; F240-W259 AromaticContact CD2-CE3 3.5Å; F240-W259 HydrophobicContact CD2-CE3 3.5Å; F240-W259 HydrophobicContact CD2-CZ3 4.07Å; F240-W259 HydrophobicContact CE1-CB 4.32Å; F240-W259 HydrophobicContact CE1-CD2 4.2Å; F240-W259 AromaticContact CE1-CE3 3.55Å; F240-W259 HydrophobicContact CE1-CE3 3.55Å; F240-W259 HydrophobicContact CE1-CZ3 4.15Å; F240-W259 HydrophobicContact CE2-CB 3.8Å; F240-W259 HydrophobicContact CE2-CD2 4.44Å; F240-W259 AromaticContact CE2-CE3 3.71Å; F240-W259 HydrophobicContact CE2-CE3 3.71Å; F240-W259 AromaticContact CG-CE3 3.26Å; F240-W259 HydrophobicContact CG-CE3 3.26Å; F240-W259 AromaticContact CG-CZ3 3.4Å; F240-W259 HydrophobicContact CG-CZ3 3.4Å; F240-W259 VanDerWaalsContact CG-CZ3 3.4Å; F240-W259 HydrophobicContact CZ-CB 3.56Å; F240-W259 HydrophobicContact CZ-CD2 4.22Å; F240-W259 AromaticContact CZ-CE3 3.72Å; F240-W259 HydrophobicContact CZ-CE3 3.72Å; F240-W259 HydrophobicContact CZ-CG 4.25Å; F240-E260 HydrophobicContact CE2-CG 4.35Å; F240-L270 HydrophobicContact CE1-CD2 3.87Å; F240-L270 HydrophobicContact CZ-CD2 4.26Å
241E59.1Low56.5Low66 Ų6685.2 Ų85.231%0.30843%0.426SS..Hα-helixtrans-60.1-39174.6-58.5-161.6159.600112K237 K238 R245 M271K237-E241 WeakPolarHBondContact O-CG 3.49Å; K237-E241 PolarHBondContact O-N 3Å; K238-E241 PolarHBondContact O-N 3.32Å; E241-R245 WeakPolarHBondContact O-CG 3.18Å; E241-R245 PolarHBondContact O-N 2.98Å; E241-M271 HydrophobicContact CB-CE 4.3Å; E241-M271 VanDerWaalsContact CD-CE 3.46Å; E241-M271 HydrophobicContact CG-CE 3.5Å; E241-M271 VanDerWaalsContact CG-CE 3.5Å; E241-M271 HydrophobicContact CG-SD 4.23Å; E241-M271 WeakPolarHBondContact OE1-CE 3.31Å
242I58.3Low56.3Low82 Ų8288.8 Ų88.842%0.42144%0.442SS..Hα-helixtrans-66.1-45.4176.2-69.2161.7000110K238 L239 F240 Q244 R245 M246 L249K238-I242 WeakPolarHBondContact O-CD1 3.31Å; K238-I242 VanDerWaalsContact O-CG1 3.27Å; K238-I242 WeakPolarHBondContact O-CG1 3.23Å; K238-I242 PolarHBondContact O-N 3.48Å; L239-I242 PolarHBondContact O-N 3.36Å; F240-I242 VanDerWaalsContact C-N 3.27Å; F240-I242 PolarHBondContact O-N 3.01Å; I242-Q244 VanDerWaalsContact C-N 3.31Å; I242-Q244 PolarHBondContact O-N 3.36Å; I242-R245 CarbonylContact O-C 3.55Å; I242-R245 PolarHBondContact O-N 3.43Å; I242-M246 HydrophobicContact CG2-SD 4.24Å; I242-M246 WeakPolarHBondContact O-CB 3.21Å; I242-M246 PolarHBondContact O-N 2.81Å; I242-L249 HydrophobicContact CG2-CD1 3.85Å
243K58.2Low56.3Low24 Ų2487 Ų8710%0.10444%0.435CS..Hα-helixtrans-57.2-44.2176-163.2-173.1-163.4-171.80112.2L239 F240 R245 M246 L249 F251 I256 E260L239-K243 PolarHBondContact O-N 3.03Å; F240-K243 WeakPolarHBondContact O-CB 3.24Å; F240-K243 PolarHBondContact O-N 2.97Å; K243-R245 PolarHBondContact O-N 2.93Å; K243-M246 CarbonylContact O-C 3.49Å; K243-M246 PolarHBondContact O-N 3.41Å; K243-M246 VanDerWaalsContact O-N 3.15Å; K243-L249 WeakPolarHBondContact CE-O 3.05Å; K243-L249 WeakPolarHBondContact CG-O 3.37Å; K243-F251 HydrophobicContact CB-CD2 3.6Å; K243-F251 HydrophobicContact CB-CE2 3.48Å; K243-F251 VanDerWaalsContact CB-CE2 3.48Å; K243-F251 HydrophobicContact CD-CB 4.44Å; K243-F251 HydrophobicContact CD-CD2 3.54Å; K243-F251 HydrophobicContact CD-CE2 4.3Å; K243-F251 HydrophobicContact CD-CG 4.45Å; K243-F251 HydrophobicContact CG-CD2 3.48Å; K243-F251 VanDerWaalsContact CG-CD2 3.48Å; K243-F251 HydrophobicContact CG-CE2 3.74Å; K243-I256 HydrophobicContact CD-CG2 3.67Å; K243-E260 WeakPolarHBondContact CD-OE1 3.46Å; K243-E260 WeakPolarHBondContact CE-OE1 3.47Å; K243-E260 IonicContact NZ-OE1 3.88Å; K243-E260 PolarHBondContact NZ-OE1 3.46Å; K243-E260 IonicContact NZ-OE2 3.29Å; K243-E260 PolarHBondContact NZ-OE2 3Å
244Q59.5Low56.3Low78 Ų7888.7 Ų88.736%0.36445%0.447SS..Hα-helixtrans-59.5-31.9177-73.2-87.3-11.700112.4F240 I242 S267F240-Q244 HydrophobicContact CD1-CG 4.17Å; F240-Q244 HydrophobicContact CE1-CG 4Å; F240-Q244 HydrophobicContact CZ-CG 4.23Å; F240-Q244 WeakPolarHBondContact O-CB 3.46Å; F240-Q244 WeakPolarHBondContact O-CG 3.36Å; F240-Q244 PolarHBondContact O-N 3.3Å; I242-Q244 VanDerWaalsContact C-N 3.31Å; I242-Q244 PolarHBondContact O-N 3.36Å; Q244-S267 PolarHBondContact NE2-OG 2.79Å; Q244-S267 VanDerWaalsContact NE2-OG 3.12Å; Q244-S267 PolarHBondContact OE1-OG 2.68Å
245R57.8Low56.2Low201 Ų20187.2 Ų87.276%0.75844%0.44SS*.Hα-helixtrans-89.5-19.9177.7-67.2178.5-175.3175.27.7113.6E241 I242 K243E241-R245 WeakPolarHBondContact O-CG 3.18Å; E241-R245 PolarHBondContact O-N 2.98Å; I242-R245 CarbonylContact O-C 3.55Å; I242-R245 PolarHBondContact O-N 3.43Å; K243-R245 PolarHBondContact O-N 2.93Å
246M54.2Low56.5Low116 Ų11681.1 Ų81.157%0.57141%0.411SS*.  trans-128.889.9-177.3-72.3-177.4161.500109.7I242 K243 D248 L249I242-M246 HydrophobicContact CG2-SD 4.24Å; I242-M246 WeakPolarHBondContact O-CB 3.21Å; I242-M246 PolarHBondContact O-N 2.81Å; K243-M246 CarbonylContact O-C 3.49Å; K243-M246 PolarHBondContact O-N 3.41Å; K243-M246 VanDerWaalsContact O-N 3.15Å; M246-D248 PolarHBondContact O-N 2.82Å; M246-L249 HydrophobicContact CB-CD1 3.7Å; M246-L249 HydrophobicContact CB-CG 4.19Å; M246-L249 HydrophobicContact CG-CD1 4.48Å; M246-L249 PolarHBondContact O-N 2.87Å; M246-L249 HydrophobicContact SD-CD1 4.02Å
247T53.4Low56.9Low133 Ų13384.8 Ų84.882%0.81642%0.423SS*.THydrogen-bonded Turntrans-62.5-16-170.3-23.80000114.3
248D52.1Low57Low161 Ų16185.3 Ų85.386%0.86143%0.425SS*.THydrogen-bonded Turntrans-89.1-1.8-177-60.3-27.7000113.9M246M246-D248 PolarHBondContact O-N 2.82Å
249L50.9Low57.2Low67 Ų6779.2 Ų79.235%0.35140%0.398SS..  trans-89.7118.2-179.8-69169.7000111.4I242 K243 M246 F251I242-L249 HydrophobicContact CG2-CD1 3.85Å; K243-L249 WeakPolarHBondContact CE-O 3.05Å; K243-L249 WeakPolarHBondContact CG-O 3.37Å; M246-L249 HydrophobicContact CB-CD1 3.7Å; M246-L249 HydrophobicContact CB-CG 4.19Å; M246-L249 HydrophobicContact CG-CD1 4.48Å; M246-L249 PolarHBondContact O-N 2.87Å; M246-L249 HydrophobicContact SD-CD1 4.02Å; L249-F251 HydrophobicContact CB-CD2 4.04Å; L249-F251 HydrophobicContact CB-CE2 3.46Å; L249-F251 VanDerWaalsContact CB-CE2 3.46Å; L249-F251 HydrophobicContact CB-CZ 4.08Å; L249-F251 HydrophobicContact CD1-CE2 3.9Å; L249-F251 HydrophobicContact CD1-CZ 3.92Å; L249-F251 HydrophobicContact CG-CE2 4.26Å; L249-F251 HydrophobicContact CG-CZ 4.48Å
250V50.2Low57.5Low129 Ų12979.6 Ų79.678%0.78240%0.398SS*.  trans-91113.8169.3-177.50000108.4
251F51.4Low57.7Low41 Ų4186.3 Ų86.318%0.1843%0.43CS..  trans-104.4131.8170-66.1-83.3000109L239 K243 L249 D253 I256L239-F251 HydrophobicContact CB-CE1 4.36Å; L239-F251 HydrophobicContact CD2-CD1 3.51Å; L239-F251 HydrophobicContact CD2-CE1 3.43Å; L239-F251 VanDerWaalsContact CD2-CE1 3.43Å; L239-F251 HydrophobicContact CD2-CZ 4.4Å; L239-F251 HydrophobicContact CG-CD1 3.97Å; L239-F251 HydrophobicContact CG-CE1 3.47Å; L239-F251 VanDerWaalsContact CG-CE1 3.47Å; L239-F251 HydrophobicContact CG-CZ 3.97Å; K243-F251 HydrophobicContact CB-CD2 3.6Å; K243-F251 HydrophobicContact CB-CE2 3.48Å; K243-F251 VanDerWaalsContact CB-CE2 3.48Å; K243-F251 HydrophobicContact CD-CB 4.44Å; K243-F251 HydrophobicContact CD-CD2 3.54Å; K243-F251 HydrophobicContact CD-CE2 4.3Å; K243-F251 HydrophobicContact CD-CG 4.45Å; K243-F251 HydrophobicContact CG-CD2 3.48Å; K243-F251 VanDerWaalsContact CG-CD2 3.48Å; K243-F251 HydrophobicContact CG-CE2 3.74Å; L249-F251 HydrophobicContact CB-CD2 4.04Å; L249-F251 HydrophobicContact CB-CE2 3.46Å; L249-F251 VanDerWaalsContact CB-CE2 3.46Å; L249-F251 HydrophobicContact CB-CZ 4.08Å; L249-F251 HydrophobicContact CD1-CE2 3.9Å; L249-F251 HydrophobicContact CD1-CZ 3.92Å; L249-F251 HydrophobicContact CG-CE2 4.26Å; L249-F251 HydrophobicContact CG-CZ 4.48Å; F251-D253 VanDerWaalsContact C-N 3.26Å; F251-I256 HydrophobicContact CB-CD1 3.82Å; F251-I256 HydrophobicContact CB-CG2 4.44Å; F251-I256 HydrophobicContact CG-CD1 4.14Å
252E52.4Low57.8Low163 Ų16385.6 Ų85.676%0.76243%0.426SS*.  trans-86.15.8177.6-69.7-169.8157.300113.7P254E252-P254 WeakPolarHBondContact O-CD 3.47Å
253D56.2Low58.1Low37 Ų3782.2 Ų82.220%0.19841%0.408CS..  trans-60.1121178.7-174.4-52.1000110.7S236 F251 L255 I256 K257S236-D253 PolarHBondContact OG-OD2 3.46Å; S236-D253 VanDerWaalsContact OG-OD2 3.04Å; F251-D253 VanDerWaalsContact C-N 3.26Å; D253-L255 PolarHBondContact O-N 2.86Å; D253-L255 WeakPolarHBondContact OD1-CA 3.26Å; D253-L255 WeakPolarHBondContact OD1-CB 3.05Å; D253-L255 PolarHBondContact OD1-N 2.86Å; D253-I256 HydrophobicContact CB-CB 4.03Å; D253-I256 HydrophobicContact CB-CD1 3.85Å; D253-I256 HydrophobicContact CB-CG1 3.81Å; D253-I256 PolarHBondContact O-N 2.76Å; D253-I256 VanDerWaalsContact O-N 3.16Å; D253-I256 PolarHBondContact OD1-N 3.38Å; D253-K257 PolarHBondContact O-N 2.68Å; D253-K257 VanDerWaalsContact O-N 3.11Å
254P56.6Low58.2Low96 Ų9685.5 Ų85.562%0.62343%0.432SS*.Hα-helixtrans-57.1-33.3-179.7-25.834.2000113.7E252 K258E252-P254 WeakPolarHBondContact O-CD 3.47Å; P254-K258 WeakPolarHBondContact O-CB 3.46Å; P254-K258 PolarHBondContact O-N 2.91Å
255L57.5Low58.2Low36 Ų3689.1 Ų89.119%0.18845%0.454CS..Hα-helixtrans-69.8-42.2179-159.479000111D37 D253 K258 W259D37-L255 WeakPolarHBondContact O-CD1 3.12Å; D253-L255 PolarHBondContact O-N 2.86Å; D253-L255 WeakPolarHBondContact OD1-CA 3.26Å; D253-L255 WeakPolarHBondContact OD1-CB 3.05Å; D253-L255 PolarHBondContact OD1-N 2.86Å; L255-K258 WeakPolarHBondContact O-CB 3.43Å; L255-K258 PolarHBondContact O-N 3.07Å; L255-W259 HydrophobicContact CD2-CH2 3.68Å; L255-W259 HydrophobicContact CD2-CZ2 3.51Å; L255-W259 HydrophobicContact CD2-CZ3 4.27Å; L255-W259 HydrophobicContact CG-CD2 4.44Å; L255-W259 HydrophobicContact CG-CZ2 4.13Å; L255-W259 PolarHBondContact O-N 2.83Å
256I62.2Low58.4Low0 Ų082.3 Ų82.30%043%0.43CS..Hα-helixtrans-61.2-47.6176.1-68.5-173.9000110.9L239 F240 K243 F251 D253 K258 W259 E260L239-I256 HydrophobicContact CB-CD1 4.39Å; F240-I256 HydrophobicContact CB-CD1 4.05Å; F240-I256 HydrophobicContact CB-CG1 4.02Å; F240-I256 HydrophobicContact CD2-CB 4.04Å; F240-I256 HydrophobicContact CD2-CD1 4.25Å; F240-I256 HydrophobicContact CD2-CG1 3.74Å; F240-I256 HydrophobicContact CD2-CG2 3.73Å; F240-I256 HydrophobicContact CE2-CG2 4.07Å; F240-I256 HydrophobicContact CG-CG1 4.32Å; K243-I256 HydrophobicContact CD-CG2 3.67Å; F251-I256 HydrophobicContact CB-CD1 3.82Å; F251-I256 HydrophobicContact CB-CG2 4.44Å; F251-I256 HydrophobicContact CG-CD1 4.14Å; D253-I256 HydrophobicContact CB-CB 4.03Å; D253-I256 HydrophobicContact CB-CD1 3.85Å; D253-I256 HydrophobicContact CB-CG1 3.81Å; D253-I256 PolarHBondContact O-N 2.76Å; D253-I256 VanDerWaalsContact O-N 3.16Å; D253-I256 PolarHBondContact OD1-N 3.38Å; I256-K258 VanDerWaalsContact C-N 3.27Å; I256-K258 PolarHBondContact O-N 3.24Å; I256-W259 PolarHBondContact O-N 2.65Å; I256-E260 WeakPolarHBondContact O-CG 3.36Å; I256-E260 PolarHBondContact O-N 2.99Å
257K65.1Low58.7Low111 Ų11177.9 Ų77.948%0.48341%0.411SS..Hα-helixtrans-59.9-40.1176.4-73.5-178.1178171.60111.5D253 E260 Q261D253-K257 PolarHBondContact O-N 2.68Å; D253-K257 VanDerWaalsContact O-N 3.11Å; K257-E260 PolarHBondContact O-N 3.27Å; K257-Q261 PolarHBondContact O-N 2.93Å
258K61.5Low59.2Low48 Ų4876.2 Ų76.221%0.20941%0.405CS..Hα-helixtrans-62.7-46.7176.2-164.9176-177.8-175.10111F38 P40 E41 P254 L255 I256 E260 Q261 F262F38-K258 PolarHBondContact O-NZ 3.26Å; P40-K258 HydrophobicContact CG-CD 4.33Å; P40-K258 HydrophobicContact CG-CG 4.21Å; E41-K258 VanDerWaalsContact CD-CE 3.47Å; E41-K258 WeakPolarHBondContact OE1-CE 3.35Å; E41-K258 IonicContact OE1-NZ 3.56Å; E41-K258 PolarHBondContact OE1-NZ 3.16Å; E41-K258 VanDerWaalsContact OE1-NZ 3.07Å; E41-K258 WeakPolarHBondContact OE2-CE 3.38Å; E41-K258 IonicContact OE2-NZ 3Å; E41-K258 PolarHBondContact OE2-NZ 2.85Å; E41-K258 VanDerWaalsContact OE2-NZ 3.11Å; P254-K258 WeakPolarHBondContact O-CB 3.46Å; P254-K258 PolarHBondContact O-N 2.91Å; L255-K258 WeakPolarHBondContact O-CB 3.43Å; L255-K258 PolarHBondContact O-N 3.07Å; I256-K258 VanDerWaalsContact C-N 3.27Å; I256-K258 PolarHBondContact O-N 3.24Å; K258-E260 PolarHBondContact O-N 3.38Å; K258-Q261 PolarHBondContact O-N 3.46Å; K258-F262 HydrophobicContact CG-CD2 3.87Å; K258-F262 HydrophobicContact CG-CE2 3.92Å; K258-F262 VanDerWaalsContact O-CD2 3.24Å; K258-F262 WeakPolarHBondContact O-CD2 3.38Å; K258-F262 PolarHBondContact O-N 3.34Å; K258-F262 VanDerWaalsContact O-N 3.09Å
259W63.3Low59.8Low1 Ų173.4 Ų73.40%0.00438%0.382CS..Hα-helixtrans-60.8-41.1176-71-23.2000113I36 K237 F240 L255 I256 Q261 F262 F263 L270I36-W259 PolarHBondContact O-NE1 2.78Å; K237-W259 HydrophobicContact CG-CH2 3.92Å; F240-W259 HydrophobicContact CB-CE3 3.84Å; F240-W259 HydrophobicContact CB-CZ3 3.46Å; F240-W259 VanDerWaalsContact CB-CZ3 3.46Å; F240-W259 HydrophobicContact CD1-CD2 4.34Å; F240-W259 AromaticContact CD1-CE3 3.31Å; F240-W259 HydrophobicContact CD1-CE3 3.31Å; F240-W259 AromaticContact CD1-CZ3 3.48Å; F240-W259 HydrophobicContact CD1-CZ3 3.48Å; F240-W259 VanDerWaalsContact CD1-CZ3 3.48Å; F240-W259 AromaticContact CD2-CE3 3.5Å; F240-W259 HydrophobicContact CD2-CE3 3.5Å; F240-W259 HydrophobicContact CD2-CZ3 4.07Å; F240-W259 HydrophobicContact CE1-CB 4.32Å; F240-W259 HydrophobicContact CE1-CD2 4.2Å; F240-W259 AromaticContact CE1-CE3 3.55Å; F240-W259 HydrophobicContact CE1-CE3 3.55Å; F240-W259 HydrophobicContact CE1-CZ3 4.15Å; F240-W259 HydrophobicContact CE2-CB 3.8Å; F240-W259 HydrophobicContact CE2-CD2 4.44Å; F240-W259 AromaticContact CE2-CE3 3.71Å; F240-W259 HydrophobicContact CE2-CE3 3.71Å; F240-W259 AromaticContact CG-CE3 3.26Å; F240-W259 HydrophobicContact CG-CE3 3.26Å; F240-W259 AromaticContact CG-CZ3 3.4Å; F240-W259 HydrophobicContact CG-CZ3 3.4Å; F240-W259 VanDerWaalsContact CG-CZ3 3.4Å; F240-W259 HydrophobicContact CZ-CB 3.56Å; F240-W259 HydrophobicContact CZ-CD2 4.22Å; F240-W259 AromaticContact CZ-CE3 3.72Å; F240-W259 HydrophobicContact CZ-CE3 3.72Å; F240-W259 HydrophobicContact CZ-CG 4.25Å; L255-W259 HydrophobicContact CD2-CH2 3.68Å; L255-W259 HydrophobicContact CD2-CZ2 3.51Å; L255-W259 HydrophobicContact CD2-CZ3 4.27Å; L255-W259 HydrophobicContact CG-CD2 4.44Å; L255-W259 HydrophobicContact CG-CZ2 4.13Å; L255-W259 PolarHBondContact O-N 2.83Å; I256-W259 PolarHBondContact O-N 2.65Å; W259-Q261 VanDerWaalsContact C-N 3.34Å; W259-Q261 PolarHBondContact O-N 2.87Å; W259-F262 PolarHBondContact O-N 2.8Å; W259-F263 PolarHBondContact O-N 2.81Å; W259-L270 HydrophobicContact CB-CD2 4.22Å; W259-L270 HydrophobicContact CD2-CD2 4.32Å; W259-L270 HydrophobicContact CG-CD2 4.06Å
260E65.8Low60.5Low78 Ų7870.2 Ų70.236%0.36437%0.365SS..Hα-helixtrans-62.7-39.6176.1-73.1176.1156.200112.4F240 K243 I256 K257 K258 P264F240-E260 HydrophobicContact CE2-CG 4.35Å; K243-E260 WeakPolarHBondContact CD-OE1 3.46Å; K243-E260 WeakPolarHBondContact CE-OE1 3.47Å; K243-E260 IonicContact NZ-OE1 3.88Å; K243-E260 PolarHBondContact NZ-OE1 3.46Å; K243-E260 IonicContact NZ-OE2 3.29Å; K243-E260 PolarHBondContact NZ-OE2 3Å; I256-E260 WeakPolarHBondContact O-CG 3.36Å; I256-E260 PolarHBondContact O-N 2.99Å; K257-E260 PolarHBondContact O-N 3.27Å; K258-E260 PolarHBondContact O-N 3.38Å; E260-P264 WeakPolarHBondContact O-CA 3.37Å
261Q66Low61.1Low145 Ų14566.2 Ų66.268%0.67834%0.339SS*.Hα-helixtrans-66-41.1177.8-177.4179.9-10.600112.4K257 K258 W259K257-Q261 PolarHBondContact O-N 2.93Å; K258-Q261 PolarHBondContact O-N 3.46Å; W259-Q261 VanDerWaalsContact C-N 3.34Å; W259-Q261 PolarHBondContact O-N 2.87Å
262F61Low61.8Low51 Ų5168.3 Ų68.322%0.22435%0.351CS..Hα-helixtrans-91-23.8-174.1-76-74.8000114.4P40 E41 K258 W259P40-F262 HydrophobicContact CB-CB 4.39Å; P40-F262 HydrophobicContact CG-CB 4.38Å; P40-F262 HydrophobicContact CG-CD2 3.96Å; P40-F262 HydrophobicContact CG-CG 4.26Å; E41-F262 HydrophobicContact CG-CD1 4.22Å; E41-F262 HydrophobicContact CG-CE1 3.53Å; E41-F262 HydrophobicContact CG-CE2 4.05Å; E41-F262 HydrophobicContact CG-CZ 3.43Å; E41-F262 VanDerWaalsContact CG-CZ 3.43Å; E41-F262 WeakPolarHBondContact OE1-CE2 3.23Å; E41-F262 WeakPolarHBondContact OE1-CZ 3.26Å; K258-F262 HydrophobicContact CG-CD2 3.87Å; K258-F262 HydrophobicContact CG-CE2 3.92Å; K258-F262 VanDerWaalsContact O-CD2 3.24Å; K258-F262 WeakPolarHBondContact O-CD2 3.38Å; K258-F262 PolarHBondContact O-N 3.34Å; K258-F262 VanDerWaalsContact O-N 3.09Å; W259-F262 PolarHBondContact O-N 2.8Å
263F64.4Low62.3Low10 Ų1061.8 Ų61.84%0.04432%0.322CS..  trans-126.853.1178.5-56.7-80.8000112.8P40 L43 W259 N265 E266 L270P40-F263 HydrophobicContact CB-CE2 3.54Å; P40-F263 HydrophobicContact CB-CZ 4.05Å; L43-F263 HydrophobicContact CD1-CZ 4.07Å; W259-F263 PolarHBondContact O-N 2.81Å; F263-N265 PolarHBondContact O-N 2.91Å; F263-E266 HydrophobicContact CB-CB 4.23Å; F263-E266 HydrophobicContact CD1-CB 3.95Å; F263-E266 PolarHBondContact O-N 2.91Å; F263-L270 HydrophobicContact CD2-CD1 4.24Å; F263-L270 HydrophobicContact CD2-CD2 3.88Å; F263-L270 HydrophobicContact CD2-CG 4.46Å; F263-L270 HydrophobicContact CE2-CD1 3.89Å; F263-L270 HydrophobicContact CE2-CD2 4.33Å; F263-L270 HydrophobicContact CG-CB 4.42Å; F263-L270 HydrophobicContact CG-CD2 4.36Å; F263-L270 HydrophobicContact CZ-CD1 4.21Å
264P61Low62.4Low93 Ų9361 Ų6160%0.60432%0.317SS*.THydrogen-bonded Turntrans-60-26.6-173.323.6-33.8000113.3E260E260-P264 WeakPolarHBondContact O-CA 3.37Å
265N60.2Low62.6Low155 Ų15558.2 Ų58.283%0.82930%0.3SS*.THydrogen-bonded Turntrans-132.19.1-179.3-61.1-43.5000113.6F263F263-N265 PolarHBondContact O-N 2.91Å
266E61.6Low62.7Low57 Ų5759.4 Ų59.427%0.26631%0.305SS..  trans-116.521.7-174.7-74.2-167.3139.900112.3K44 F263 S268 R269 L270K44-E266 IonicContact NZ-OE1 3.87Å; K44-E266 IonicContact NZ-OE2 2.75Å; K44-E266 PolarHBondContact NZ-OE2 3.03Å; F263-E266 HydrophobicContact CB-CB 4.23Å; F263-E266 HydrophobicContact CD1-CB 3.95Å; F263-E266 PolarHBondContact O-N 2.91Å; E266-S268 VanDerWaalsContact C-N 3.29Å; E266-S268 PolarHBondContact O-N 2.83Å; E266-R269 HydrophobicContact CB-CB 4.37Å; E266-R269 WeakPolarHBondContact O-CA 3.48Å; E266-R269 WeakPolarHBondContact O-CB 3.21Å; E266-R269 PolarHBondContact O-N 2.77Å; E266-R269 IonicContact OE1-NH1 3.05Å; E266-R269 PolarHBondContact OE1-NH1 3.48Å; E266-L270 PolarHBondContact O-N 3.48Å
267S61Low62.5Low23 Ų2363.9 Ų63.916%0.16132%0.322CS..Hα-helixtrans-52.5-44.8-179.4168.40000113.1Q244 R269 L270 M271Q244-S267 PolarHBondContact NE2-OG 2.79Å; Q244-S267 VanDerWaalsContact NE2-OG 3.12Å; Q244-S267 PolarHBondContact OE1-OG 2.68Å; S267-R269 PolarHBondContact O-N 3.19Å; S267-L270 WeakPolarHBondContact O-CB 3.14Å; S267-L270 PolarHBondContact O-N 3.07Å; S267-L270 VanDerWaalsContact O-N 3.1Å; S267-M271 WeakPolarHBondContact O-CB 3.24Å; S267-M271 VanDerWaalsContact O-CG 3.22Å; S267-M271 WeakPolarHBondContact O-CG 3.18Å; S267-M271 PolarHBondContact O-N 2.95Å
268S61.9Low61.8Low98 Ų9863.4 Ų63.469%0.68532%0.321SS*.Hα-helixtrans-58-36.6178.1540000112.8E266 D272E266-S268 VanDerWaalsContact C-N 3.29Å; E266-S268 PolarHBondContact O-N 2.83Å; S268-D272 WeakPolarHBondContact O-CB 3.04Å; S268-D272 PolarHBondContact O-N 3Å
269R65.8Low61.3Low103 Ų10368.1 Ų68.139%0.38934%0.342SS..Hα-helixtrans-71.4-42176.3-176.1-177.9-180178.21.5111.5E266 S267 M271 D272 L273E266-R269 HydrophobicContact CB-CB 4.37Å; E266-R269 WeakPolarHBondContact O-CA 3.48Å; E266-R269 WeakPolarHBondContact O-CB 3.21Å; E266-R269 PolarHBondContact O-N 2.77Å; E266-R269 IonicContact OE1-NH1 3.05Å; E266-R269 PolarHBondContact OE1-NH1 3.48Å; S267-R269 PolarHBondContact O-N 3.19Å; R269-M271 VanDerWaalsContact C-N 3.32Å; R269-D272 PolarHBondContact O-N 2.94Å; R269-L273 HydrophobicContact CG-CD1 4.46Å; R269-L273 VanDerWaalsContact O-CG 3.3Å; R269-L273 WeakPolarHBondContact O-CG 3.38Å; R269-L273 PolarHBondContact O-N 3.46Å
270L64.4Low60.6Low0 Ų072 Ų720%036%0.362CS..Hα-helixtrans-60.8-44.4174.1179.463.7000110.8I36 F240 W259 F263 E266 S267 L273 L274I36-L270 HydrophobicContact CG2-CD1 3.87Å; F240-L270 HydrophobicContact CE1-CD2 3.87Å; F240-L270 HydrophobicContact CZ-CD2 4.26Å; W259-L270 HydrophobicContact CB-CD2 4.22Å; W259-L270 HydrophobicContact CD2-CD2 4.32Å; W259-L270 HydrophobicContact CG-CD2 4.06Å; F263-L270 HydrophobicContact CD2-CD1 4.24Å; F263-L270 HydrophobicContact CD2-CD2 3.88Å; F263-L270 HydrophobicContact CD2-CG 4.46Å; F263-L270 HydrophobicContact CE2-CD1 3.89Å; F263-L270 HydrophobicContact CE2-CD2 4.33Å; F263-L270 HydrophobicContact CG-CB 4.42Å; F263-L270 HydrophobicContact CG-CD2 4.36Å; F263-L270 HydrophobicContact CZ-CD1 4.21Å; E266-L270 PolarHBondContact O-N 3.48Å; S267-L270 WeakPolarHBondContact O-CB 3.14Å; S267-L270 PolarHBondContact O-N 3.07Å; S267-L270 VanDerWaalsContact O-N 3.1Å; L270-L273 PolarHBondContact O-N 3Å; L270-L274 HydrophobicContact CG-CD1 4.12Å; L270-L274 WeakPolarHBondContact O-CB 2.93Å; L270-L274 WeakPolarHBondContact O-CG 2.96Å; L270-L274 PolarHBondContact O-N 3.01Å
271M63.7Low59.4Low45 Ų4570.5 Ų70.522%0.22236%0.36CS..Hα-helixtrans-65.3-38.5177-66.7-61.1-68.100112.3E241 S267 R269 L274 S275E241-M271 HydrophobicContact CB-CE 4.3Å; E241-M271 VanDerWaalsContact CD-CE 3.46Å; E241-M271 HydrophobicContact CG-CE 3.5Å; E241-M271 VanDerWaalsContact CG-CE 3.5Å; E241-M271 HydrophobicContact CG-SD 4.23Å; E241-M271 WeakPolarHBondContact OE1-CE 3.31Å; S267-M271 WeakPolarHBondContact O-CB 3.24Å; S267-M271 VanDerWaalsContact O-CG 3.22Å; S267-M271 WeakPolarHBondContact O-CG 3.18Å; S267-M271 PolarHBondContact O-N 2.95Å; R269-M271 VanDerWaalsContact C-N 3.32Å; M271-L274 PolarHBondContact O-N 3.36Å; M271-L274 HydrophobicContact SD-CD1 4.03Å; M271-S275 VanDerWaalsContact O-CB 3.31Å; M271-S275 WeakPolarHBondContact O-CB 3.41Å; M271-S275 PolarHBondContact O-N 3.38Å; M271-S275 PolarHBondContact O-OG 3.01Å
272D65.5Low57.9Low84 Ų8471.6 Ų71.645%0.44936%0.358SS..Hα-helixtrans-64.1-45.1174.3-170.733.3000110.9S268 R269 S275 Q276S268-D272 WeakPolarHBondContact O-CB 3.04Å; S268-D272 PolarHBondContact O-N 3Å; R269-D272 PolarHBondContact O-N 2.94Å; D272-S275 PolarHBondContact O-N 3.43Å; D272-S275 PolarHBondContact O-OG 3.45Å; D272-Q276 VanDerWaalsContact O-CG 3.31Å; D272-Q276 WeakPolarHBondContact O-CG 3.4Å; D272-Q276 PolarHBondContact O-N 2.99Å; D272-Q276 PolarHBondContact OD1-NE2 3.44Å; D272-Q276 PolarHBondContact OD2-NE2 3.4Å
273L63.1Low56.7Low26 Ų2676.1 Ų76.114%0.13638%0.378CS..Hα-helixtrans-60.4-45.6174.8-70.9170.1000112.3I36 L43 R269 L270 S275 Q276 R277I36-L273 HydrophobicContact CD1-CB 3.97Å; L43-L273 HydrophobicContact CD1-CD1 4.09Å; R269-L273 HydrophobicContact CG-CD1 4.46Å; R269-L273 VanDerWaalsContact O-CG 3.3Å; R269-L273 WeakPolarHBondContact O-CG 3.38Å; R269-L273 PolarHBondContact O-N 3.46Å; L270-L273 PolarHBondContact O-N 3Å; L273-S275 VanDerWaalsContact C-N 3.35Å; L273-S275 PolarHBondContact O-N 3.48Å; L273-Q276 PolarHBondContact O-N 2.96Å; L273-R277 PolarHBondContact O-N 3.47Å
274L58.9Low55.3Low21 Ų2180.4 Ų80.411%0.1140%0.401CS..Hα-helixtrans-57.6-46.6174.2-79.1166.1000111.2I36 K237 L270 M271 R277 E278I36-L274 HydrophobicContact CB-CD2 4.44Å; I36-L274 HydrophobicContact CG2-CD1 4.42Å; I36-L274 HydrophobicContact CG2-CD2 3.24Å; I36-L274 HydrophobicContact CG2-CG 3.47Å; I36-L274 VanDerWaalsContact CG2-CG 3.47Å; K237-L274 HydrophobicContact CD-CD2 4.49Å; L270-L274 HydrophobicContact CG-CD1 4.12Å; L270-L274 WeakPolarHBondContact O-CB 2.93Å; L270-L274 WeakPolarHBondContact O-CG 2.96Å; L270-L274 PolarHBondContact O-N 3.01Å; M271-L274 PolarHBondContact O-N 3.36Å; M271-L274 HydrophobicContact SD-CD1 4.03Å; L274-R277 PolarHBondContact O-N 2.98Å; L274-E278 PolarHBondContact O-N 2.95Å
275S60.9Low54Low38 Ų3882.7 Ų82.727%0.26640%0.398SS..Hα-helixtrans-69.2-34.3-178.581.10000113.5M271 D272 L273 R277 E278 K279M271-S275 VanDerWaalsContact O-CB 3.31Å; M271-S275 WeakPolarHBondContact O-CB 3.41Å; M271-S275 PolarHBondContact O-N 3.38Å; M271-S275 PolarHBondContact O-OG 3.01Å; D272-S275 PolarHBondContact O-N 3.43Å; D272-S275 PolarHBondContact O-OG 3.45Å; L273-S275 VanDerWaalsContact C-N 3.35Å; L273-S275 PolarHBondContact O-N 3.48Å; S275-R277 VanDerWaalsContact C-N 3.3Å; S275-E278 PolarHBondContact O-N 3.45Å; S275-K279 WeakPolarHBondContact O-CG 3.27Å; S275-K279 PolarHBondContact O-N 3.28Å
276Q60.4Low52.7Low60 Ų6083.3 Ų83.328%0.2839%0.389SS..Hα-helixtrans-63.7-39.4175.1-76.217632.100110.6D272 L273 K279 L280D272-Q276 VanDerWaalsContact O-CG 3.31Å; D272-Q276 WeakPolarHBondContact O-CG 3.4Å; D272-Q276 PolarHBondContact O-N 2.99Å; D272-Q276 PolarHBondContact OD1-NE2 3.44Å; D272-Q276 PolarHBondContact OD2-NE2 3.4Å; L273-Q276 PolarHBondContact O-N 2.96Å; Q276-K279 PolarHBondContact O-N 3Å; Q276-L280 PolarHBondContact O-N 3.39Å; Q276-L280 VanDerWaalsContact O-N 3.15Å
277R56.6Low51.3Low95 Ų9586 Ų8636%0.35841%0.405SS..Hα-helixtrans-66.6-42.3176.8-173.1-179173.3-159.7-0.8112.5D37 L273 L274 S275 K279 L280 S281D37-R277 IonicContact OD2-CZ 3.65Å; D37-R277 IonicContact OD2-NH1 2.97Å; D37-R277 PolarHBondContact OD2-NH1 3.35Å; L273-R277 PolarHBondContact O-N 3.47Å; L274-R277 PolarHBondContact O-N 2.98Å; S275-R277 VanDerWaalsContact C-N 3.3Å; R277-K279 VanDerWaalsContact C-N 3.26Å; R277-K279 PolarHBondContact O-N 2.94Å; R277-L280 PolarHBondContact O-N 2.83Å; R277-S281 WeakPolarHBondContact O-CB 3.4Å; R277-S281 PolarHBondContact O-N 2.89Å
278E51.5Low50.2Low100 Ų10091.3 Ų91.347%0.46743%0.432SS..Hα-helixtrans-58.7-40.1175.5-78.1-166.715900112.1L274 S275 R282L274-E278 PolarHBondContact O-N 2.95Å; S275-E278 PolarHBondContact O-N 3.45Å; E278-R282 WeakPolarHBondContact O-CB 3.43Å; E278-R282 WeakPolarHBondContact O-CG 3.49Å; E278-R282 PolarHBondContact O-N 2.95Å
279K51.4Low49Very low148 Ų14891.6 Ų91.664%0.64343%0.43SS*.Hα-helixtrans-65.2-40.1177.9-72.1174.1-176.5169.10111.9S275 Q276 R277 K283S275-K279 WeakPolarHBondContact O-CG 3.27Å; S275-K279 PolarHBondContact O-N 3.28Å; Q276-K279 PolarHBondContact O-N 3Å; R277-K279 VanDerWaalsContact C-N 3.26Å; R277-K279 PolarHBondContact O-N 2.94Å; K279-K283 WeakPolarHBondContact O-CB 3.3Å; K279-K283 PolarHBondContact O-N 3.23Å; K279-K283 VanDerWaalsContact O-N 3.11Å
280L47Very low47.2Very low83 Ų8391.2 Ų91.244%0.43544%0.436SS..Hα-helixtrans-67.3-50.3175.9-71.5164.9000110.9Q276 R277 R282 K283 D284Q276-L280 PolarHBondContact O-N 3.39Å; Q276-L280 VanDerWaalsContact O-N 3.15Å; R277-L280 PolarHBondContact O-N 2.83Å; L280-R282 VanDerWaalsContact C-N 3.29Å; L280-R282 PolarHBondContact O-N 3.16Å; L280-K283 PolarHBondContact O-N 3.42Å; L280-D284 PolarHBondContact O-N 3.4Å
281S40.3Very low45.5Very low45 Ų4597.3 Ų97.332%0.31547%0.468SS..Hα-helixtrans-58.6-35.2177.41710000113.6R277 R285R277-S281 WeakPolarHBondContact O-CB 3.4Å; R277-S281 PolarHBondContact O-N 2.89Å; S281-R285 WeakPolarHBondContact O-CB 3.36Å; S281-R285 WeakPolarHBondContact O-CG 3.38Å; S281-R285 PolarHBondContact O-N 3.05Å; S281-R285 PolarHBondContact O-NE 2.95Å; S281-R285 VanDerWaalsContact O-NE 3.17Å; S281-R285 PolarHBondContact OG-NE 3.13Å; S281-R285 PolarHBondContact OG-NH2 2.98Å
282R34.4Very low43.8Very low169 Ų169103.1 Ų103.164%0.63850%0.495SS*.Hα-helixtrans-73.5-34.9173.9-81.2-175.5175.21604.3112.6E278 L280 Y286E278-R282 WeakPolarHBondContact O-CB 3.43Å; E278-R282 WeakPolarHBondContact O-CG 3.49Å; E278-R282 PolarHBondContact O-N 2.95Å; L280-R282 VanDerWaalsContact C-N 3.29Å; L280-R282 PolarHBondContact O-N 3.16Å; R282-Y286 WeakPolarHBondContact O-CB 3.39Å; R282-Y286 PolarHBondContact O-N 3.11Å
283K35.8Very low42Very low146 Ų146104.4 Ų104.464%0.63551%0.508SS*.Hα-helixtrans-71.9-38.2179.9-149.5178.2-175.5-172.40111.2K279 L280 Y286 N287K279-K283 WeakPolarHBondContact O-CB 3.3Å; K279-K283 PolarHBondContact O-N 3.23Å; K279-K283 VanDerWaalsContact O-N 3.11Å; L280-K283 PolarHBondContact O-N 3.42Å; K283-Y286 PolarHBondContact O-N 2.85Å; K283-N287 PolarHBondContact O-N 3.23Å; K283-N287 VanDerWaalsContact O-N 3.07Å
284D36.6Very low40.3Very low99 Ų99114.8 Ų114.853%0.52955%0.545SS..Hα-helixtrans-66.4-44.1173.8-61.8-27.2000110.6L280 Y286 N287 D288L280-D284 PolarHBondContact O-N 3.4Å; D284-Y286 VanDerWaalsContact C-N 3.31Å; D284-Y286 PolarHBondContact O-N 2.88Å; D284-N287 PolarHBondContact O-N 3.03Å; D284-D288 PolarHBondContact O-N 2.84Å
285R33Very low38.8Very low142 Ų142120.8 Ų120.854%0.53658%0.577SS.*Hα-helixtrans-62.7-30173.3-80.3-175.8-79.4-165.7-4.7114.7S281 T289S281-R285 WeakPolarHBondContact O-CB 3.36Å; S281-R285 WeakPolarHBondContact O-CG 3.38Å; S281-R285 PolarHBondContact O-N 3.05Å; S281-R285 PolarHBondContact O-NE 2.95Å; S281-R285 VanDerWaalsContact O-NE 3.17Å; S281-R285 PolarHBondContact OG-NE 3.13Å; S281-R285 PolarHBondContact OG-NH2 2.98Å; R285-T289 PolarHBondContact O-OG1 2.74Å
286Y32.1Very low37.2Very low168 Ų168127.2 Ų127.266%0.65960%0.603SS**Hα-helixtrans-82.4-23.5178.6-153.4-89.1000112.7R282 K283 D284 T289 N290R282-Y286 WeakPolarHBondContact O-CB 3.39Å; R282-Y286 PolarHBondContact O-N 3.11Å; K283-Y286 PolarHBondContact O-N 2.85Å; D284-Y286 VanDerWaalsContact C-N 3.31Å; D284-Y286 PolarHBondContact O-N 2.88Å; Y286-T289 PolarHBondContact O-OG1 2.94Å; Y286-N290 PolarHBondContact O-ND2 2.8Å
287N33.9Very low35.7Very low112 Ų112133.1 Ų133.160%0.59963%0.63SS**Hα-helixtrans-81.2-31.1171.9-83.85.4000111.9K283 D284 T289 N290K283-N287 PolarHBondContact O-N 3.23Å; K283-N287 VanDerWaalsContact O-N 3.07Å; D284-N287 PolarHBondContact O-N 3.03Å; N287-T289 VanDerWaalsContact C-N 3.25Å; N287-T289 PolarHBondContact O-N 2.74Å; N287-N290 PolarHBondContact O-N 3.08Å
288D37.2Very low34.4Very low135 Ų135135.9 Ų135.972%0.72265%0.651SS**THydrogen-bonded Turntrans-73.6-16.9178.1-137.43.4000113.4D284D284-D288 PolarHBondContact O-N 2.84Å
289T36.1Very low33.2Very low105 Ų105142 Ų14264%0.64467%0.671SS**THydrogen-bonded Turntrans-96.8-1178.545.20000113.8R285 Y286 N287R285-T289 PolarHBondContact O-OG1 2.74Å; Y286-T289 PolarHBondContact O-OG1 2.94Å; N287-T289 VanDerWaalsContact C-N 3.25Å; N287-T289 PolarHBondContact O-N 2.74Å
290N29.1Very low32.1Very low94 Ų94144 Ų14450%0.50368%0.683SS.*SBendtrans-112.4108.6171.8-73.6-58.6000109.2Y286 N287 E292Y286-N290 PolarHBondContact O-ND2 2.8Å; N287-N290 PolarHBondContact O-N 3.08Å; N290-E292 VanDerWaalsContact C-N 3.33Å; N290-E292 PolarHBondContact O-N 3.1Å
291N28.6Very low31.1Very low128 Ų128144.8 Ų144.868%0.68470%0.695SS**  trans-4982.4173.1-87.5-14.5000113.5Y451N291-Y451 PolarHBondContact ND2-OH 3.2Å
292E27.5Very low30.6Very low168 Ų168149.4 Ų149.479%0.78572%0.716SS**  trans-109.7121.2155.4-73-157.2168.300109.4N290 W294N290-E292 VanDerWaalsContact C-N 3.33Å; N290-E292 PolarHBondContact O-N 3.1Å; E292-W294 PolarHBondContact O-N 2.8Å
293P27.2Very low30.1Very low110 Ų110146.3 Ų146.371%0.71472%0.721SS**  trans-62.4135.3178.8-15.627.7000110.7D295P293-D295 PolarHBondContact O-N 3.18Å
294W27.1Very low29.9Very low245 Ų245149 Ų14993%0.92874%0.735SS**SBendtrans-6725.1178-76.791.6000115.3E292E292-W294 PolarHBondContact O-N 2.8Å
295D27.3Very low29.3Very low147 Ų147153.1 Ų153.179%0.78675%0.751SS**  trans-114.327.6-163.7-89.6-12.6000116.3P293P293-D295 PolarHBondContact O-N 3.18Å
296Q28.1Very low29.2Very low172 Ų172155.8 Ų155.880%0.80477%0.77SS**SBendtrans-132.77.5-178.6-73.1-164.3-7.700119.5
297H28.2Very low28.9Very low184 Ų184154 Ų15485%0.85278%0.777SS**SBendtrans-140.953-179.1-72.8-54.9000116.1
298I29.1Very low28.5Very low154 Ų154160.1 Ų160.179%0.7979%0.793SS**SBendtrans-145.886.3158.8-52.3178.7000108
299Y27.8Very low28.2Very low229 Ų229157.7 Ų157.790%0.89879%0.787SS**  trans16682.4152.2-88.2-62.4000108.2
300E27.8Very low27.8Very low189 Ų189164.2 Ų164.288%0.88380%0.8SS**  trans-158.6114.1159.7-114167.3-15900109.4
301S26.2Very low27.9Very low99 Ų99164.5 Ų164.569%0.69281%0.809SS**  trans65139.5148.5108.20000117.6
302D29.2Very low27.9Very low143 Ų143167.5 Ų167.577%0.76582%0.819SS**  cis-153.7151.917.8-87.7-52.8000110.8
303S25Very low28.1Very low104 Ų104164.9 Ų164.973%0.72782%0.819SS**  trans-52.5139.7163.449.70000113.4
304E30Very low27.9Very low202 Ų202171 Ų17194%0.94483%0.828SS**  trans-161135.4133.3-108.7169.9-156.700111.2
305E25.4Very low28Very low185 Ų185170.9 Ų170.986%0.86483%0.827SS**  trans-71.5144.7-170.5-62.1170129.100112.8
306E29.4Very low28.1Very low198 Ų198170 Ų17093%0.92583%0.832SS**  trans-150.8107.8139.3-116.8177.8-166.800111.9
307T25.9Very low28.1Very low130 Ų130165.1 Ų165.180%0.79883%0.828SS**  trans-64.2134.6175.828.80000113.9
308Y27Very low28.2Very low242 Ų242160.7 Ų160.795%0.94983%0.833SS**  trans-127.8132.6148-138.2-97.8000110.4
309S30.5Very low28.1Very low84 Ų84156.8 Ų156.859%0.58783%0.831SS**  trans-108.6151.4-149.1580000115.4
310R27.8Very low28.1Very low242 Ų242152.4 Ų152.491%0.91382%0.823SS**  trans70.1134.5148-74172.4172.4178.3-1.2116.3
311S30.5Very low28.1Very low100 Ų100152.3 Ų152.370%0.69982%0.819SS**  cis-166.21364351.30000114
312Q29.8Very low28.3Very low190 Ų190150.7 Ų150.789%0.88882%0.818SS**  trans57.4133.9139.1-56.4-151.833.700119.3
313S30.2Very low28.3Very low113 Ų113148.4 Ų148.479%0.7983%0.828SS**  cis-161.515630.563.80000112.1
314R24.7Very low28.6Very low239 Ų239146 Ų14690%0.90282%0.82SS**  trans-62145.5-177.2-66.3161163.4171.3-6.3114.6
315R29.1Very low29.1Very low242 Ų242142.2 Ų142.291%0.91381%0.806SS**  -179.2125.8111.1-101.3172.9171.5179.9-2.5113.2
316S28.8Very low29.8Very low128 Ų128138.5 Ų138.590%0.89580%0.796SS**  trans57.3121138.6-177.70000118.5
317G28.1Very low30.3Very low70 Ų70136.1 Ų136.172%0.72278%0.783SS**  cis162.715714.500000108.9
318G29.1Very low31.1Very low91 Ų91131.4 Ų131.494%0.93875%0.751SS**  trans74.8135.2172.900000113.9
319G28.1Very low31.8Very low73 Ų73122 Ų12275%0.75372%0.718SS**  cis151.2112.91000000107.9
320N27.7Very low32.4Very low136 Ų136118.9 Ų118.973%0.72770%0.695SS**  trans60.6125.6150-107.7-2000122.1
321K28Very low33.4Very low187 Ų187108.5 Ų108.581%0.81366%0.657SS**  trans77.4125.4130.7-69.6171.3-179.9-1730120
322G30.3Very low34.3Very low65 Ų65104.1 Ų104.167%0.6763%0.626SS**  trans131.980141.400000116.2G324G322-G324 PolarHBondContact O-N 2.82Å
323G28.8Very low35.1Very low95 Ų9595.1 Ų95.198%0.97958%0.584SS**THydrogen-bonded Turntrans-73.240.6170.600000114.9
324G31.6Very low35.8Very low53 Ų5389.8 Ų89.855%0.54655%0.546SS..THydrogen-bonded Turntrans-129.32.8-178.100000115.1G322G322-G324 PolarHBondContact O-N 2.82Å
325N40.6Very low36.8Very low124 Ų12478.6 Ų78.666%0.66351%0.505SS*.SBendtrans-100.4-5.2-169.5-115.314.2000115.4L329N325-L329 PolarHBondContact O-N 2.82Å
326T39.4Very low37.5Very low106 Ų10667 Ų6765%0.6546%0.461SS*.Hα-helixtrans-77.3-46.8-172.141.90000112.8F328 L329 T330T326-F328 PolarHBondContact O-N 2.86Å; T326-L329 WeakPolarHBondContact O-CB 3.47Å; T326-L329 PolarHBondContact O-N 2.86Å; T326-T330 PolarHBondContact O-N 2.93Å; T326-T330 PolarHBondContact O-OG1 3.29Å
327K41.3Very low38.2Very low148 Ų14861.7 Ų61.764%0.64342%0.422SS*.Hα-helixtrans-70.9-30.1-178.8-67.2-172.1176.8-173.80114.5T330 I331K327-T330 WeakPolarHBondContact O-CB 3.35Å; K327-T330 PolarHBondContact O-N 3.47Å; K327-I331 PolarHBondContact O-N 2.99Å; K327-I331 VanDerWaalsContact O-N 3.1Å
328F41Very low38.7Very low31 Ų3159.5 Ų59.514%0.13640%0.397CS..Hα-helixtrans-63.6-47.9173.4-171.8-90000111T326 T330 I331 L332 Y486 L497 Y501T326-F328 PolarHBondContact O-N 2.86Å; F328-T330 VanDerWaalsContact C-N 3.29Å; F328-T330 PolarHBondContact O-N 2.97Å; F328-I331 PolarHBondContact O-N 3.12Å; F328-L332 HydrophobicContact CE1-CD1 3.98Å; F328-L332 HydrophobicContact CZ-CD1 4.39Å; F328-L332 WeakPolarHBondContact O-CB 3.28Å; F328-L332 PolarHBondContact O-N 2.94Å; F328-L332 VanDerWaalsContact O-N 3.13Å; F328-Y486 HydrophobicContact CD2-CD2 4.1Å; F328-Y486 HydrophobicContact CD2-CE1 4.47Å; F328-Y486 AromaticContact CD2-CE2 3.26Å; F328-Y486 HydrophobicContact CD2-CE2 3.26Å; F328-Y486 AromaticContact CD2-CZ 3.43Å; F328-Y486 VanDerWaalsContact CD2-CZ 3.43Å; F328-Y486 VanDerWaalsContact CD2-OH 3.26Å; F328-Y486 WeakPolarHBondContact CD2-OH 3.17Å; F328-Y486 AromaticContact CE2-CE2 3.77Å; F328-Y486 HydrophobicContact CE2-CE2 3.77Å; F328-Y486 AromaticContact CE2-CZ 3.84Å; F328-Y486 VanDerWaalsContact CE2-OH 3.23Å; F328-Y486 WeakPolarHBondContact CE2-OH 3.45Å; F328-Y486 HydrophobicContact CG-CE2 4.39Å; F328-L497 HydrophobicContact CE2-CD2 3.48Å; F328-L497 VanDerWaalsContact CE2-CD2 3.48Å; F328-L497 HydrophobicContact CZ-CD2 3.39Å; F328-Y501 HydrophobicContact CE1-CD1 4.4Å; F328-Y501 HydrophobicContact CE1-CD2 4.07Å; F328-Y501 AromaticContact CE1-CE1 3.72Å; F328-Y501 HydrophobicContact CE1-CE1 3.72Å; F328-Y501 AromaticContact CE1-CE2 3.34Å; F328-Y501 HydrophobicContact CE1-CE2 3.34Å; F328-Y501 AromaticContact CE1-CZ 3.14Å; F328-Y501 WeakPolarHBondContact CE1-OH 3.35Å; F328-Y501 HydrophobicContact CZ-CD2 4.15Å; F328-Y501 HydrophobicContact CZ-CE1 4.4Å; F328-Y501 AromaticContact CZ-CE2 3.24Å; F328-Y501 HydrophobicContact CZ-CE2 3.24Å; F328-Y501 AromaticContact CZ-CZ 3.4Å; F328-Y501 VanDerWaalsContact CZ-CZ 3.4Å; F328-Y501 VanDerWaalsContact CZ-OH 3.24Å; F328-Y501 WeakPolarHBondContact CZ-OH 3.37Å
329L42.6Very low39.2Very low46 Ų4656 Ų5624%0.24136%0.357CS..Hα-helixtrans-59.6-44.9173.4-154.572.1000108.9N325 T326 I331 L332 V333 I521 A524N325-L329 PolarHBondContact O-N 2.82Å; T326-L329 WeakPolarHBondContact O-CB 3.47Å; T326-L329 PolarHBondContact O-N 2.86Å; L329-I331 PolarHBondContact O-N 3.44Å; L329-L332 WeakPolarHBondContact O-CB 3.45Å; L329-L332 PolarHBondContact O-N 3.45Å; L329-V333 HydrophobicContact CD1-CG2 4.48Å; L329-V333 HydrophobicContact CG-CG2 3.97Å; L329-V333 WeakPolarHBondContact O-CB 3.4Å; L329-V333 WeakPolarHBondContact O-CG2 3.44Å; L329-V333 PolarHBondContact O-N 3.04Å; L329-I521 HydrophobicContact CD1-CG2 4.38Å; L329-A524 HydrophobicContact CD2-CB 4.45Å
330T44.2Very low39.7Very low17 Ų1754.8 Ų54.810%0.10433%0.333CS..Hα-helixtrans-53.4-47.2177.7-490000114.1T326 K327 F328 V333 A334 D529 V530T326-T330 PolarHBondContact O-N 2.93Å; T326-T330 PolarHBondContact O-OG1 3.29Å; K327-T330 WeakPolarHBondContact O-CB 3.35Å; K327-T330 PolarHBondContact O-N 3.47Å; F328-T330 VanDerWaalsContact C-N 3.29Å; F328-T330 PolarHBondContact O-N 2.97Å; T330-V333 CarbonylContact O-C 3.42Å; T330-V333 PolarHBondContact O-N 3.42Å; T330-A334 VanDerWaalsContact O-CB 3.24Å; T330-A334 WeakPolarHBondContact O-CB 3.48Å; T330-A334 PolarHBondContact O-N 3.48Å; T330-D529 VanDerWaalsContact CG2-C 3.46Å; T330-D529 HydrophobicContact CG2-CB 3.75Å; T330-D529 WeakPolarHBondContact CG2-OD2 3.1Å; T330-D529 PolarHBondContact OG1-OD2 2.95Å; T330-V530 HydrophobicContact CG2-CG2 4.11Å
331I48.5Very low39.9Very low25 Ų2553.6 Ų53.613%0.12833%0.326CS..Hα-helixtrans-68.8-42.4179.6-70.3163.7000111K327 F328 L329 V333 A334 L335 Y486 L494 L497K327-I331 PolarHBondContact O-N 2.99Å; K327-I331 VanDerWaalsContact O-N 3.1Å; F328-I331 PolarHBondContact O-N 3.12Å; L329-I331 PolarHBondContact O-N 3.44Å; I331-V333 PolarHBondContact O-N 3.45Å; I331-A334 PolarHBondContact O-N 3.07Å; I331-L335 WeakPolarHBondContact O-CG 3.21Å; I331-L335 PolarHBondContact O-N 3.16Å; I331-L335 VanDerWaalsContact O-N 3.13Å; I331-Y486 HydrophobicContact CD1-CD1 4.06Å; I331-Y486 HydrophobicContact CD1-CE1 3.5Å; I331-Y486 VanDerWaalsContact CD1-CE1 3.5Å; I331-L494 HydrophobicContact CG2-CD2 3.57Å; I331-L497 HydrophobicContact CG2-CD1 3.91Å
332L48.8Very low39.9Very low7 Ų748.5 Ų48.54%0.03731%0.306CS..Hα-helixtrans-61.6-36.8177.6-148.895.8000112.6F328 L329 L336 L497 Y501 A516F328-L332 HydrophobicContact CE1-CD1 3.98Å; F328-L332 HydrophobicContact CZ-CD1 4.39Å; F328-L332 WeakPolarHBondContact O-CB 3.28Å; F328-L332 PolarHBondContact O-N 2.94Å; F328-L332 VanDerWaalsContact O-N 3.13Å; L329-L332 WeakPolarHBondContact O-CB 3.45Å; L329-L332 PolarHBondContact O-N 3.45Å; L332-L336 WeakPolarHBondContact O-CD1 3.45Å; L332-L497 HydrophobicContact CD1-CB 4.22Å; L332-Y501 VanDerWaalsContact CD1-CB 3.5Å; L332-Y501 HydrophobicContact CD1-CD1 4.12Å; L332-Y501 HydrophobicContact CD1-CD2 3.14Å; L332-Y501 HydrophobicContact CD1-CE2 3.91Å; L332-Y501 HydrophobicContact CD1-CG 3.3Å; L332-Y501 HydrophobicContact CD2-CD1 3.77Å; L332-Y501 HydrophobicContact CD2-CD2 4.28Å; L332-Y501 HydrophobicContact CD2-CG 3.49Å; L332-Y501 VanDerWaalsContact CD2-CG 3.49Å; L332-Y501 HydrophobicContact CG-CD2 4.24Å; L332-Y501 HydrophobicContact CG-CG 3.92Å; L332-A516 HydrophobicContact CD2-CB 3.51Å
333V47.2Very low39.8Very low1 Ų150.4 Ų50.41%0.00631%0.307CS..Hα-helixtrans-83.5-22.6-177.2172.10000110L329 T330 I331 L336 L337 I521 A524 I525 V530L329-V333 HydrophobicContact CD1-CG2 4.48Å; L329-V333 HydrophobicContact CG-CG2 3.97Å; L329-V333 WeakPolarHBondContact O-CB 3.4Å; L329-V333 WeakPolarHBondContact O-CG2 3.44Å; L329-V333 PolarHBondContact O-N 3.04Å; T330-V333 CarbonylContact O-C 3.42Å; T330-V333 PolarHBondContact O-N 3.42Å; I331-V333 PolarHBondContact O-N 3.45Å; V333-L336 WeakPolarHBondContact O-CA 3.37Å; V333-L336 WeakPolarHBondContact O-CB 3.5Å; V333-L336 PolarHBondContact O-N 2.82Å; V333-L337 PolarHBondContact O-N 3.06Å; V333-L337 VanDerWaalsContact O-N 3.12Å; V333-I521 HydrophobicContact CG2-CB 4.38Å; V333-I521 HydrophobicContact CG2-CD1 3.96Å; V333-I521 HydrophobicContact CG2-CG2 4.34Å; V333-A524 HydrophobicContact CG1-CB 4.4Å; V333-I525 HydrophobicContact CB-CG2 4.21Å; V333-I525 HydrophobicContact CG1-CB 3.72Å; V333-I525 HydrophobicContact CG1-CG2 3.3Å; V333-I525 VanDerWaalsContact CG1-N 3.33Å; V333-I525 HydrophobicContact CG2-CG2 4.41Å; V333-V530 HydrophobicContact CB-CG1 4.05Å; V333-V530 HydrophobicContact CB-CG2 4.09Å; V333-V530 HydrophobicContact CG1-CB 4.11Å; V333-V530 HydrophobicContact CG1-CG1 3.53Å; V333-V530 HydrophobicContact CG1-CG2 3.42Å; V333-V530 VanDerWaalsContact CG1-CG2 3.42Å; V333-V530 WeakPolarHBondContact O-CG1 3.25Å
334A43.2Very low39.6Very low1 Ų150.4 Ų50.41%0.00830%0.298CS..Hα-helixtrans-76.8-36.217500000112.1T330 I331 L336 L337 A338 V530 A533 V534T330-A334 VanDerWaalsContact O-CB 3.24Å; T330-A334 WeakPolarHBondContact O-CB 3.48Å; T330-A334 PolarHBondContact O-N 3.48Å; I331-A334 PolarHBondContact O-N 3.07Å; A334-L336 PolarHBondContact O-N 3.43Å; A334-L336 VanDerWaalsContact O-N 3.17Å; A334-L337 PolarHBondContact O-N 3.03Å; A334-A338 PolarHBondContact O-N 3.33Å; A334-A338 VanDerWaalsContact O-N 3.16Å; A334-V530 VanDerWaalsContact CA-CG1 3.41Å; A334-V530 HydrophobicContact CB-CG1 3.97Å; A334-V530 VanDerWaalsContact N-CG1 3.29Å; A334-A533 HydrophobicContact CB-CB 3.83Å; A334-V534 HydrophobicContact CB-CG2 4.42Å
335L47.3Very low39.3Very low4 Ų449.5 Ų49.52%0.02129%0.288CS..Hα-helixtrans-57-25.4165.2-71.2163.1000112.5I331 L497 T498 V537 V543 L547I331-L335 WeakPolarHBondContact O-CG 3.21Å; I331-L335 PolarHBondContact O-N 3.16Å; I331-L335 VanDerWaalsContact O-N 3.13Å; L335-L497 HydrophobicContact CD1-CB 4.45Å; L335-T498 HydrophobicContact CB-CG2 4.47Å; L335-T498 HydrophobicContact CD1-CG2 3.56Å; L335-T498 HydrophobicContact CD2-CG2 3.59Å; L335-T498 HydrophobicContact CG-CG2 4.06Å; L335-V537 HydrophobicContact CD2-CG1 3.44Å; L335-V537 VanDerWaalsContact CD2-CG1 3.44Å; L335-V537 HydrophobicContact CG-CG1 3.79Å; L335-V543 HydrophobicContact CD2-CB 4.43Å; L335-V543 HydrophobicContact CD2-CG1 3.15Å; L335-L547 HydrophobicContact CB-CD2 4.22Å; L335-L547 HydrophobicContact CD2-CD1 4.09Å; L335-L547 HydrophobicContact CD2-CD2 4.18Å; L335-L547 HydrophobicContact CD2-CG 4.37Å
336L43.8Very low38.6Very low0 Ų045.6 Ų45.60%027%0.274CS..Hα-helixtrans-86.8-36.5-176.4-110.5146000113.7L332 V333 A334 L339 I340 I503 V514 A516 I521 I525L332-L336 WeakPolarHBondContact O-CD1 3.45Å; V333-L336 WeakPolarHBondContact O-CA 3.37Å; V333-L336 WeakPolarHBondContact O-CB 3.5Å; V333-L336 PolarHBondContact O-N 2.82Å; A334-L336 PolarHBondContact O-N 3.43Å; A334-L336 VanDerWaalsContact O-N 3.17Å; L336-L339 VanDerWaalsContact O-CB 3.28Å; L336-L339 WeakPolarHBondContact O-CB 3.43Å; L336-L339 PolarHBondContact O-N 3.42Å; L336-I340 HydrophobicContact CD2-CD1 4.04Å; L336-I340 WeakPolarHBondContact O-CG1 3.49Å; L336-I340 PolarHBondContact O-N 3.3Å; L336-I503 HydrophobicContact CB-CD1 4.49Å; L336-I503 HydrophobicContact CD1-CD1 4.06Å; L336-I503 HydrophobicContact CD1-CG1 3.7Å; L336-I503 HydrophobicContact CD2-CB 4.26Å; L336-I503 HydrophobicContact CD2-CD1 4.01Å; L336-I503 HydrophobicContact CD2-CG1 3.88Å; L336-I503 HydrophobicContact CD2-CG2 3.41Å; L336-I503 VanDerWaalsContact CD2-CG2 3.41Å; L336-I503 HydrophobicContact CG-CB 4.46Å; L336-I503 HydrophobicContact CG-CD1 3.48Å; L336-I503 VanDerWaalsContact CG-CD1 3.48Å; L336-I503 HydrophobicContact CG-CG1 3.56Å; L336-I503 HydrophobicContact CG-CG2 4.11Å; L336-V514 HydrophobicContact CD2-CG1 3.29Å; L336-A516 HydrophobicContact CD1-CB 3.96Å; L336-I521 HydrophobicContact CD1-CD1 3.16Å; L336-I521 HydrophobicContact CD2-CD1 4.2Å; L336-I521 HydrophobicContact CG-CD1 4.22Å; L336-I525 HydrophobicContact CB-CG2 3.99Å; L336-I525 HydrophobicContact CD1-CG2 4.43Å; L336-I525 HydrophobicContact CD2-CG2 4.32Å; L336-I525 HydrophobicContact CG-CG2 4.47Å
337L42.2Very low38.1Very low16 Ų1642.6 Ų42.68%0.08425%0.252CS..Hα-helixtrans-70.5-34.4169.8-85.4-177.1000112.1V333 A334 L339 I340 L341 I525 V530 T531 V534V333-L337 PolarHBondContact O-N 3.06Å; V333-L337 VanDerWaalsContact O-N 3.12Å; A334-L337 PolarHBondContact O-N 3.03Å; L337-L339 PolarHBondContact O-N 3.3Å; L337-L339 VanDerWaalsContact O-N 3.09Å; L337-I340 PolarHBondContact O-N 3.1Å; L337-I340 VanDerWaalsContact O-N 3.15Å; L337-L341 PolarHBondContact O-N 2.71Å; L337-I525 WeakPolarHBondContact CD1-O 3.33Å; L337-I525 VanDerWaalsContact CD2-O 3.28Å; L337-I525 WeakPolarHBondContact CD2-O 3.41Å; L337-I525 HydrophobicContact CG-CB 4.44Å; L337-I525 WeakPolarHBondContact CG-O 3.22Å; L337-V530 HydrophobicContact CB-CG1 4.48Å; L337-V530 HydrophobicContact CD1-CB 4.12Å; L337-V530 HydrophobicContact CD1-CG1 3.61Å; L337-V530 HydrophobicContact CG-CG1 3.97Å; L337-T531 WeakPolarHBondContact CD1-OG1 3.5Å; L337-V534 HydrophobicContact CB-CG2 3.44Å; L337-V534 VanDerWaalsContact CB-CG2 3.44Å; L337-V534 HydrophobicContact CD1-CG2 3.81Å; L337-V534 HydrophobicContact CG-CG2 4.32Å
338A38.8Very low37.4Very low23 Ų2339.3 Ų39.319%0.1924%0.238CC..THydrogen-bonded Turntrans-58.9-17.6169.200000113A334 V534 L547A334-A338 PolarHBondContact O-N 3.33Å; A334-A338 VanDerWaalsContact O-N 3.16Å; A338-V534 HydrophobicContact CB-CG1 3.96Å; A338-L547 HydrophobicContact CB-CD1 3.71Å
339L40.9Very low36.7Very low19 Ų1939.8 Ų39.810%0.09924%0.238CC..THydrogen-bonded Turntrans-95.9-17.6-178.1-125.7152.2000112.9L336 L337 I503 L547 A550 Q551 L554L336-L339 VanDerWaalsContact O-CB 3.28Å; L336-L339 WeakPolarHBondContact O-CB 3.43Å; L336-L339 PolarHBondContact O-N 3.42Å; L337-L339 PolarHBondContact O-N 3.3Å; L337-L339 VanDerWaalsContact O-N 3.09Å; L339-I503 HydrophobicContact CD1-CD1 3.47Å; L339-I503 VanDerWaalsContact CD1-CD1 3.47Å; L339-L547 HydrophobicContact CD1-CD2 3.71Å; L339-A550 HydrophobicContact CD1-CB 4.42Å; L339-Q551 HydrophobicContact CD2-CB 4.4Å; L339-Q551 HydrophobicContact CD2-CG 3.22Å; L339-Q551 HydrophobicContact CG-CG 3.78Å; L339-Q551 PolarHBondContact O-NE2 2.93Å; L339-L554 HydrophobicContact CD2-CD1 3.99Å
340I38.4Very low35.8Very low46 Ų4643.1 Ų43.124%0.23626%0.255CS..THydrogen-bonded Turntrans-134-35.5-162.5-54.6167.6000116.9L336 L337 F505 V514L336-I340 HydrophobicContact CD2-CD1 4.04Å; L336-I340 WeakPolarHBondContact O-CG1 3.49Å; L336-I340 PolarHBondContact O-N 3.3Å; L337-I340 PolarHBondContact O-N 3.1Å; L337-I340 VanDerWaalsContact O-N 3.15Å; I340-F505 HydrophobicContact CD1-CE1 3.36Å; I340-F505 HydrophobicContact CD1-CZ 3.55Å; I340-F505 HydrophobicContact CG1-CE1 4.22Å; I340-F505 HydrophobicContact CG1-CZ 4.06Å; I340-V514 HydrophobicContact CD1-CG1 4.29Å; I340-V514 HydrophobicContact CD1-CG2 4.38Å
341L31.2Very low35Very low111 Ų11145 Ų4558%0.58127%0.267SS*.  trans-153.9115.4-166.9-88.3153.2000115.6L337L337-L341 PolarHBondContact O-N 2.71Å
342I28.8Very low33.9Very low80 Ų8053.8 Ų53.841%0.4130%0.298SS..  trans-125.8133.7149.8-62.6-179.5000107.2
343P27.6Very low33Very low105 Ų10560.8 Ų60.868%0.68234%0.336SS*.SBendtrans-77.8144.3-166.130.3-34.2000114.5
344A25.1Very low32Very low96 Ų9667.2 Ų67.279%0.79337%0.37SS*.SBendtrans93.781.5169.700000117.5
345G25.2Very low31.4Very low33 Ų3374.1 Ų74.134%0.3441%0.407SS..  trans167.966.7160.800000115.3F347 D563G345-F347 VanDerWaalsContact O-CD2 3.25Å; G345-F347 WeakPolarHBondContact O-CD2 3.34Å; G345-F347 PolarHBondContact O-N 2.82Å; G345-D563 VanDerWaalsContact C-OD2 3.29Å
346A25.9Very low30.4Very low43 Ų4383 Ų8336%0.35545%0.445SS..  trans-35.3124.4-173.400000117.3F348 D563 L581A346-F348 HydrophobicContact CB-CE2 4.35Å; A346-D563 VanDerWaalsContact CA-OD2 3.32Å; A346-D563 WeakPolarHBondContact CA-OD2 3.41Å; A346-D563 PolarHBondContact N-OD2 3.06Å; A346-L581 HydrophobicContact CB-CD1 3.74Å; A346-L581 WeakPolarHBondContact O-CD1 3.33Å; A346-L581 WeakPolarHBondContact O-CG 3.17Å
347F28.2Very low29.7Very low43 Ų4388.8 Ų88.819%0.18948%0.483CS..  trans-113.9155.3159.8-77.7-110.6000111.2G345 V561 M562 D563 I579G345-F347 VanDerWaalsContact O-CD2 3.25Å; G345-F347 WeakPolarHBondContact O-CD2 3.34Å; G345-F347 PolarHBondContact O-N 2.82Å; F347-V561 VanDerWaalsContact C-CG1 3.46Å; F347-V561 WeakPolarHBondContact O-CG1 3.17Å; F347-M562 WeakPolarHBondContact CB-O 3.41Å; F347-M562 WeakPolarHBondContact CG-O 3.45Å; F347-D563 HydrophobicContact CB-CB 3.79Å; F347-D563 HydrophobicContact CD2-CB 4Å; F347-D563 WeakPolarHBondContact CD2-OD1 3.39Å; F347-D563 HydrophobicContact CG-CB 4.27Å; F347-D563 PolarHBondContact N-OD2 3.5Å; F347-I579 WeakPolarHBondContact CE1-O 3.44Å; F347-I579 WeakPolarHBondContact CZ-O 3.41Å
348F25.9Very low29.1Very low79 Ų7993 Ų9335%0.34652%0.52SS..  trans-136.5140.7173.6-68.6-92.1000110.9A346 V647 I650A346-F348 HydrophobicContact CB-CE2 4.35Å; F348-V647 HydrophobicContact CE2-CG2 4.12Å; F348-V647 HydrophobicContact CZ-CG2 3.79Å; F348-I650 HydrophobicContact CB-CG2 3.79Å; F348-I650 HydrophobicContact CD2-CD1 3.59Å; F348-I650 HydrophobicContact CD2-CG2 3.94Å; F348-I650 HydrophobicContact CE2-CD1 3.93Å; F348-I650 HydrophobicContact CG-CG2 4.16Å
349W27.1Very low28.6Very low41 Ų4196.8 Ų96.816%0.15555%0.552CS.*  trans-148.6142.5155.9-17153.5000112.3T351 V560 V561 E576W349-T351 HydrophobicContact CD2-CG2 4.3Å; W349-T351 HydrophobicContact CH2-CG2 3.27Å; W349-T351 HydrophobicContact CZ2-CG2 2.89Å; W349-T351 HydrophobicContact CZ3-CG2 4.1Å; W349-V560 WeakPolarHBondContact CB-O 3.24Å; W349-V560 HydrophobicContact CE3-CB 4.3Å; W349-V560 VanDerWaalsContact CE3-O 3.24Å; W349-V560 HydrophobicContact CZ3-CB 4.49Å; W349-V561 WeakPolarHBondContact O-CG2 3.46Å; W349-V561 PolarHBondContact O-N 3.4Å; W349-E576 WeakPolarHBondContact CZ2-OE2 3.5Å
350I24.8Very low28.1Very low115 Ų115101.1 Ų101.159%0.5958%0.583SS**  trans-136135.7176-64174.9000107.2
351T27.3Very low27.9Very low57 Ų57103.4 Ų103.435%0.3560%0.601SS.*  trans-120.5145.9160.165.60000109.4W349 G559W349-T351 HydrophobicContact CD2-CG2 4.3Å; W349-T351 HydrophobicContact CH2-CG2 3.27Å; W349-T351 HydrophobicContact CZ2-CG2 2.89Å; W349-T351 HydrophobicContact CZ3-CG2 4.1Å; T351-G559 WeakPolarHBondContact OG1-CA 3.3Å; T351-G559 PolarHBondContact OG1-N 3.12Å
352R24.5Very low27.8Very low209 Ų209106.5 Ų106.579%0.78961%0.612SS**PPolyproline II helixtrans-100.2125.1-178.5-167.9180-174.9166.92.4108.6
353D29Very low27.9Very low154 Ų154108.5 Ų108.582%0.82463%0.634SS**PPolyproline II helixtrans-93.1141.1155.8-125.8-17.4000109.7D355D353-D355 PolarHBondContact O-N 3.09Å
354N27.8Very low27.9Very low137 Ų137109.5 Ų109.573%0.73364%0.638SS**PPolyproline II helixtrans-64.8121.8-174.2-76.7-55.4000112
355D29.3Very low27.9Very low145 Ų145110 Ų11078%0.77563%0.631SS**  -178.3120.5124.8-96.3-31.8000114D353D353-D355 PolarHBondContact O-N 3.09Å
356K26.7Very low28Very low190 Ų190117.4 Ų117.483%0.82666%0.657SS**  trans41.5138.1155.2-73.9174.5179.9167.70123.8
357P30.1Very low28Very low123 Ų123121.7 Ų121.780%0.79968%0.678SS**  trans-96.6158.4-174.939.5-33.7000114.1
358A28.6Very low28.2Very low103 Ų103125.5 Ų125.585%0.85171%0.71SS**  trans-147.8103.3158.900000112.5
359A29.2Very low28.2Very low104 Ų104131 Ų13186%0.8674%0.735SS**  trans38.2131.3141.100000123.3
360S29Very low28.4Very low109 Ų109135.5 Ų135.576%0.76277%0.766SS**  trans-81.3-160171.461.30000112.8
361P35.7Very low28.5Very low94 Ų94134.6 Ų134.661%0.6177%0.77SS**  cis-144-178.1-5.733.9-10.2000117.5
362E28.9Very low28.6Very low176 Ų176136.9 Ų136.982%0.82279%0.788SS**  trans79.7118.6143.6-82.4162.3-143.500122.8
363S30.6Very low28.8Very low122 Ų122132.7 Ų132.785%0.85379%0.786SS**  -174.3150.1103.154.80000114.5
364T26.1Very low28.8Very low127 Ų127133 Ų13378%0.77978%0.783SS**  trans-82.7166.8-164-45.80000113.8
365T26.6Very low28.9Very low106 Ų106135.3 Ų135.365%0.6579%0.786SS**  148.4109.9117.3-53.20000117.1
366Q27.5Very low28.8Very low188 Ų188133.1 Ų133.188%0.87978%0.782SS**  trans86.8147.6132.6-71.1172.79.500126.5
367V25.9Very low28.8Very low133 Ų133129 Ų12981%0.80678%0.777SS**  trans-120.3154.7-167.1169.40000109.2
368S30.9Very low28.8Very low123 Ų123129.5 Ų129.586%0.8678%0.778SS**  trans-159.5139.2143.751.90000114.6
369K26.5Very low28.7Very low196 Ų196133 Ų13385%0.85278%0.777SS**  trans-93.7160.7176.8-81.3172.1164.71750111.8
370V30.6Very low28.8Very low135 Ų135137 Ų13782%0.81878%0.778SS**  trans-167112.7135.3-173.70000106.8
371S28.4Very low28.9Very low95 Ų95136.7 Ų136.766%0.66478%0.776SS**  74.2110.763.986.10000118.8
372S28.4Very low28.7Very low105 Ų105137 Ų13773%0.73478%0.78SS**  trans50144.413758.30000120.8
373T29.4Very low28.8Very low122 Ų122134 Ų13475%0.74877%0.774SS**  -177.1156.770.5-46.80000112.8
374E27.7Very low29Very low161 Ų161136.4 Ų136.475%0.75277%0.772SS**  trans-55165.8-177.8-54.8160.3143.500121.8
375K30.4Very low29.2Very low185 Ų185138 Ų13880%0.80477%0.77SS**  146.8113.4121.5-81.7-177.5-179-179.30112
376S27.4Very low29.5Very low98 Ų98137.6 Ų137.669%0.68577%0.772SS**  81.8115.675.695.70000117
377S27.8Very low29.9Very low104 Ų104135.4 Ų135.473%0.72777%0.771SS**  trans47.3139.5139.160.90000121.9
378T29.7Very low30.4Very low134 Ų134133.4 Ų133.482%0.82276%0.763SS**  178147.4102-47.30000111.2
379E26.7Very low30.6Very low176 Ų176133 Ų13382%0.82276%0.76SS**  trans-73.4158.8176.9-61.5165.2138.400114.3
380E31Very low31.5Very low189 Ų189129.1 Ų129.188%0.88375%0.753SS**  163117.9125-92-176164.500115
381S30.2Very low32.3Very low102 Ų102128.2 Ų128.271%0.71374%0.744SS**  48.2130.2124-173.20000125.4
382S31.5Very low33.3Very low99 Ų99127.5 Ų127.569%0.69274%0.738SS**  trans71.7141.9142.865.90000118.6
383T31Very low34.3Very low115 Ų115129.5 Ų129.571%0.70674%0.736SS**  cis-171.7161.817.3-8.30000109.2
384E34.7Very low35.4Very low172 Ų172126.4 Ų126.480%0.80472%0.723SS**  trans83.8145.5151.2-72.1169.1-16000119.5
385E31.7Very low36.6Very low161 Ų161123 Ų12375%0.75271%0.71SS**  cis-171.9139.7-20.4-161.5178.2-16100107.6
386S32.3Very low38.1Very low97 Ų97120.5 Ų120.568%0.67870%0.701SS**  trans71.8151.5150.874.90000123.8
387T34.7Very low39.9Very low141 Ų141122.3 Ų122.387%0.86570%0.699SS**  trans87.4122.617975.20000113.6
388S38.3Very low41.5Very low91 Ų91123.7 Ų123.764%0.63669%0.694SS**  cis-155.9136.113.251.50000110.7T390S388-T390 PolarHBondContact O-N 3.11Å
389S35Very low43.1Very low114 Ų114123.7 Ų123.780%0.79768%0.684SS**THydrogen-bonded Turntrans-71.999.9175.251.90000111.4
390T44.4Very low45.2Very low115 Ų115120.9 Ų120.971%0.70667%0.671SS**THydrogen-bonded Turntrans-165.9-14.5158.74.30000112.9S388S388-T390 PolarHBondContact O-N 3.11Å
391D46.5Very low46.9Very low117 Ų117118 Ų11863%0.62666%0.658SS**SBendtrans-90.8-8.6179.6-67.3-33.8000115.1N395D391-N395 PolarHBondContact O-N 2.99Å
392S51Low48.5Very low79 Ų79115.8 Ų115.855%0.55265%0.646SS**Hα-helixtrans-81.3-28.3-175.769.60000114.3Q396S392-Q396 WeakPolarHBondContact O-CB 3.49Å; S392-Q396 WeakPolarHBondContact O-CG 3.5Å; S392-Q396 PolarHBondContact O-N 3.28Å
393E49.4Very low50.3Low148 Ų148113.3 Ų113.369%0.69263%0.631SS**Hα-helixtrans-78.2-35.6177.6-73.9-176.3163.800112Q396 Q397E393-Q396 PolarHBondContact O-N 3.44Å; E393-Q397 PolarHBondContact O-N 3.48Å
394A51.7Low52.2Low57 Ų57112 Ų11247%0.47162%0.62SS.*Hα-helixtrans-66.1-43.4174.900000111.7Q396 Q397 E398A394-Q396 VanDerWaalsContact C-N 3.34Å; A394-Q396 PolarHBondContact O-N 3.14Å; A394-Q397 PolarHBondContact O-N 3.29Å; A394-E398 PolarHBondContact O-N 3.19Å
395N53.4Low53.7Low89 Ų89109.7 Ų109.748%0.47661%0.609SS.*Hα-helixtrans-65.4-35.1175.9-112.8-32.9000112.6D391 Q399D391-N395 PolarHBondContact O-N 2.99Å; N395-Q399 WeakPolarHBondContact O-CB 3.22Å; N395-Q399 VanDerWaalsContact O-CG 3.3Å; N395-Q399 WeakPolarHBondContact O-CG 3.43Å; N395-Q399 PolarHBondContact O-N 3.4Å
396Q61.4Low55.2Low132 Ų132108.2 Ų108.262%0.61760%0.602SS**Hα-helixtrans-70.1-38174.6-79.9-178.7-0.700112.2S392 E393 A394 Q400S392-Q396 WeakPolarHBondContact O-CB 3.49Å; S392-Q396 WeakPolarHBondContact O-CG 3.5Å; S392-Q396 PolarHBondContact O-N 3.28Å; E393-Q396 PolarHBondContact O-N 3.44Å; A394-Q396 VanDerWaalsContact C-N 3.34Å; A394-Q396 PolarHBondContact O-N 3.14Å; Q396-Q400 WeakPolarHBondContact O-CB 3.41Å; Q396-Q400 PolarHBondContact O-N 3.46Å
397Q65.8Low56.9Low136 Ų136106.3 Ų106.364%0.63659%0.592SS**Hα-helixtrans-68.3-40.5175-78.3-175.9-7.300112.6E393 A394 Q400 Q401E393-Q397 PolarHBondContact O-N 3.48Å; A394-Q397 PolarHBondContact O-N 3.29Å; Q397-Q400 PolarHBondContact O-N 2.82Å; Q397-Q401 WeakPolarHBondContact O-CB 3.32Å; Q397-Q401 WeakPolarHBondContact O-CG 3.48Å; Q397-Q401 PolarHBondContact O-N 2.92Å
398E60.9Low58.4Low133 Ų133106.4 Ų106.462%0.62158%0.583SS**Hα-helixtrans-64.7-42.5174.4-90.6-174.3153.400112.1A394 Q400 Q401 A402A394-E398 PolarHBondContact O-N 3.19Å; E398-Q400 VanDerWaalsContact C-N 3.34Å; E398-Q400 PolarHBondContact O-N 3.13Å; E398-Q401 PolarHBondContact O-N 3.31Å; E398-A402 WeakPolarHBondContact O-CB 3.17Å; E398-A402 PolarHBondContact O-N 2.97Å
399Q63.8Low59.4Low134 Ų134108.6 Ų108.663%0.62658%0.583SS**Hα-helixtrans-64.2-39.1176-77179.84.800112.1N395 A403N395-Q399 WeakPolarHBondContact O-CB 3.22Å; N395-Q399 VanDerWaalsContact O-CG 3.3Å; N395-Q399 WeakPolarHBondContact O-CG 3.43Å; N395-Q399 PolarHBondContact O-N 3.4Å; Q399-A403 WeakPolarHBondContact O-CB 3.26Å; Q399-A403 PolarHBondContact O-N 3.47Å
400Q70.6Confident60.6Low117 Ų117108.6 Ų108.655%0.54757%0.571SS.*Hα-helixtrans-67.5-42.9176.6-16667.643.800111.6Q396 Q397 E398 A402 A403 D404Q396-Q400 WeakPolarHBondContact O-CB 3.41Å; Q396-Q400 PolarHBondContact O-N 3.46Å; Q397-Q400 PolarHBondContact O-N 2.82Å; E398-Q400 VanDerWaalsContact C-N 3.34Å; E398-Q400 PolarHBondContact O-N 3.13Å; Q400-A402 PolarHBondContact O-N 2.97Å; Q400-A403 PolarHBondContact O-N 2.97Å; Q400-D404 WeakPolarHBondContact O-CB 3.33Å; Q400-D404 VanDerWaalsContact O-CG 3.27Å; Q400-D404 PolarHBondContact O-N 3.48Å
401Q67.4Low61.5Low130 Ų130105.8 Ų105.861%0.60756%0.559SS**Hα-helixtrans-64.5-38.8176.1-77.4-177.7-4.700112.7Q397 E398 D404 Q405Q397-Q401 WeakPolarHBondContact O-CB 3.32Å; Q397-Q401 WeakPolarHBondContact O-CG 3.48Å; Q397-Q401 PolarHBondContact O-N 2.92Å; E398-Q401 PolarHBondContact O-N 3.31Å; Q401-D404 PolarHBondContact O-N 2.92Å; Q401-Q405 WeakPolarHBondContact O-CB 3.36Å; Q401-Q405 PolarHBondContact O-N 3Å
402A62.7Low62.1Low55 Ų55103.1 Ų103.146%0.45555%0.553SS.*Hα-helixtrans-65.3-41.6175.200000111.7E398 Q400 Q405 Q406E398-A402 WeakPolarHBondContact O-CB 3.17Å; E398-A402 PolarHBondContact O-N 2.97Å; Q400-A402 PolarHBondContact O-N 2.97Å; A402-Q405 PolarHBondContact O-N 3.49Å; A402-Q406 WeakPolarHBondContact O-CB 3.49Å; A402-Q406 PolarHBondContact O-N 2.92Å
403A68.9Low62.2Low47 Ų47102.1 Ų102.139%0.38855%0.549SS..Hα-helixtrans-64.5-42.6175.700000112.1Q399 Q400 Q406 A407Q399-A403 WeakPolarHBondContact O-CB 3.26Å; Q399-A403 PolarHBondContact O-N 3.47Å; Q400-A403 PolarHBondContact O-N 2.97Å; A403-Q406 PolarHBondContact O-N 3.39Å; A403-A407 WeakPolarHBondContact O-CB 3.2Å; A403-A407 PolarHBondContact O-N 2.93Å
404D72.2Confident62.6Low86 Ų86101 Ų10146%0.4654%0.544SS..Hα-helixtrans-66.4-39.6178-69.9-14000111.6Q400 Q401 A407 Q408Q400-D404 WeakPolarHBondContact O-CB 3.33Å; Q400-D404 VanDerWaalsContact O-CG 3.27Å; Q400-D404 PolarHBondContact O-N 3.48Å; Q401-D404 PolarHBondContact O-N 2.92Å; D404-A407 PolarHBondContact O-N 3.32Å; D404-Q408 WeakPolarHBondContact O-CG 3.13Å; D404-Q408 PolarHBondContact O-N 3.42Å
405Q65.2Low62.9Low124 Ų124102.1 Ų102.158%0.57955%0.549SS*.Hα-helixtrans-64.2-41.5173-84.2-173.1-1.700112.2Q401 A402 Q408 Q409Q401-Q405 WeakPolarHBondContact O-CB 3.36Å; Q401-Q405 PolarHBondContact O-N 3Å; A402-Q405 PolarHBondContact O-N 3.49Å; Q405-Q408 PolarHBondContact O-N 2.94Å; Q405-Q409 WeakPolarHBondContact O-CG 3.06Å; Q405-Q409 PolarHBondContact O-N 3.28Å
406Q63.9Low62.9Low131 Ų131103.4 Ų103.461%0.61255%0.552SS**Hα-helixtrans-66.1-40.1178.6-164173.80.400111.1A402 A403 Q409 Q410A402-Q406 WeakPolarHBondContact O-CB 3.49Å; A402-Q406 PolarHBondContact O-N 2.92Å; A403-Q406 PolarHBondContact O-N 3.39Å; Q406-Q409 PolarHBondContact O-N 3.45Å; Q406-Q410 WeakPolarHBondContact O-CB 3.32Å; Q406-Q410 PolarHBondContact O-N 2.93Å
407A68.5Low62.5Low57 Ų5799.4 Ų99.447%0.47154%0.542SS..Hα-helixtrans-63.9-41.3174.100000112.3A403 D404 Q410 A411A403-A407 WeakPolarHBondContact O-CB 3.2Å; A403-A407 PolarHBondContact O-N 2.93Å; D404-A407 PolarHBondContact O-N 3.32Å; A407-Q410 PolarHBondContact O-N 3.48Å; A407-A411 WeakPolarHBondContact O-CB 3.23Å; A407-A411 PolarHBondContact O-N 3.28Å
408Q65.3Low62.1Low143 Ų14395.9 Ų95.967%0.66854%0.536SS*.Hα-helixtrans-65.4-41.2175.2-77179.8-1.400112.6D404 Q405 Q410 A411 A412D404-Q408 WeakPolarHBondContact O-CG 3.13Å; D404-Q408 PolarHBondContact O-N 3.42Å; Q405-Q408 PolarHBondContact O-N 2.94Å; Q408-Q410 VanDerWaalsContact C-N 3.33Å; Q408-A411 PolarHBondContact O-N 3.43Å; Q408-A412 WeakPolarHBondContact O-CB 3.42Å; Q408-A412 PolarHBondContact O-N 3.4Å
409Q58.4Low61.8Low137 Ų13792.2 Ų92.264%0.6453%0.528SS*.Hα-helixtrans-64.3-39.5175.8-74.4177.28.300111.7Q405 Q406 A412 A413Q405-Q409 WeakPolarHBondContact O-CG 3.06Å; Q405-Q409 PolarHBondContact O-N 3.28Å; Q406-Q409 PolarHBondContact O-N 3.45Å; Q409-A412 PolarHBondContact O-N 2.91Å; Q409-A413 WeakPolarHBondContact O-CB 3.48Å; Q409-A413 PolarHBondContact O-N 3.33Å
410Q62Low61.3Low114 Ų11488.7 Ų88.753%0.53351%0.512SS..Hα-helixtrans-68.3-42.7178.2-165.1164.6-14.800111.7Q406 A407 Q408 A412 A413 E414Q406-Q410 WeakPolarHBondContact O-CB 3.32Å; Q406-Q410 PolarHBondContact O-N 2.93Å; A407-Q410 PolarHBondContact O-N 3.48Å; Q408-Q410 VanDerWaalsContact C-N 3.33Å; Q410-A412 PolarHBondContact O-N 3.2Å; Q410-A413 PolarHBondContact O-N 2.97Å; Q410-E414 WeakPolarHBondContact O-CG 3.44Å; Q410-E414 PolarHBondContact O-N 3.48Å
411A63.2Low60.6Low56 Ų5685.8 Ų85.846%0.46351%0.507SS..Hα-helixtrans-63.2-38.7174.500000112.8A407 Q408 E414 S415A407-A411 WeakPolarHBondContact O-CB 3.23Å; A407-A411 PolarHBondContact O-N 3.28Å; Q408-A411 PolarHBondContact O-N 3.43Å; A411-E414 PolarHBondContact O-N 2.9Å; A411-S415 WeakPolarHBondContact O-CB 3.28Å; A411-S415 PolarHBondContact O-N 3.09Å
412A58.3Low60.2Low60 Ų6085.5 Ų85.550%0.49651%0.506SS..Hα-helixtrans-65.7-41.6175.200000112Q408 Q409 Q410 S415 Q416Q408-A412 WeakPolarHBondContact O-CB 3.42Å; Q408-A412 PolarHBondContact O-N 3.4Å; Q409-A412 PolarHBondContact O-N 2.91Å; Q410-A412 PolarHBondContact O-N 3.2Å; A412-S415 PolarHBondContact O-N 2.81Å; A412-Q416 WeakPolarHBondContact O-CB 3.39Å; A412-Q416 PolarHBondContact O-N 2.97Å
413A52.4Low59.7Low58 Ų5883.6 Ų83.648%0.47949%0.491SS..Hα-helixtrans-64.7-40.4176.200000112.4Q409 Q410 Q416 A417Q409-A413 WeakPolarHBondContact O-CB 3.48Å; Q409-A413 PolarHBondContact O-N 3.33Å; Q410-A413 PolarHBondContact O-N 2.97Å; A413-Q416 PolarHBondContact O-N 3.34Å; A413-A417 WeakPolarHBondContact O-CB 3.38Å; A413-A417 PolarHBondContact O-N 3Å
414E59.2Low58.8Low124 Ų12483.5 Ų83.558%0.57948%0.482SS*.Hα-helixtrans-65.6-42.1175.8-74.4175-171.700112.1Q410 A411 A417 A418Q410-E414 WeakPolarHBondContact O-CG 3.44Å; Q410-E414 PolarHBondContact O-N 3.48Å; A411-E414 PolarHBondContact O-N 2.9Å; E414-A417 PolarHBondContact O-N 3.04Å; E414-A418 WeakPolarHBondContact O-CB 3.5Å; E414-A418 PolarHBondContact O-N 3.46Å
415S56.5Low58.1Low82 Ų8281 Ų8157%0.57347%0.473SS*.Hα-helixtrans-62.6-43175.6-174.40000112A411 A412 A418 A419A411-S415 WeakPolarHBondContact O-CB 3.28Å; A411-S415 PolarHBondContact O-N 3.09Å; A412-S415 PolarHBondContact O-N 2.81Å; S415-A418 PolarHBondContact O-N 3.16Å; S415-A419 PolarHBondContact O-N 3.45Å
416Q54.1Low57.8Low115 Ų11579.8 Ų79.854%0.53747%0.468SS..Hα-helixtrans-66-42.8177-171.9170.5-9.100111.9A412 A413 A418 A419 E420A412-Q416 WeakPolarHBondContact O-CB 3.39Å; A412-Q416 PolarHBondContact O-N 2.97Å; A413-Q416 PolarHBondContact O-N 3.34Å; Q416-A418 VanDerWaalsContact C-N 3.33Å; Q416-A418 PolarHBondContact O-N 3.2Å; Q416-A419 PolarHBondContact O-N 2.92Å; Q416-E420 WeakPolarHBondContact O-CG 3.13Å; Q416-E420 PolarHBondContact O-N 3.39Å
417A52.3Low57Low49 Ų4975.1 Ų75.141%0.40545%0.452SS..Hα-helixtrans-62.5-38.6175.300000112.3A413 E414 A421A413-A417 WeakPolarHBondContact O-CB 3.38Å; A413-A417 PolarHBondContact O-N 3Å; E414-A417 PolarHBondContact O-N 3.04Å; A417-A421 WeakPolarHBondContact O-CB 3.39Å; A417-A421 PolarHBondContact O-N 2.75Å
418A58.7Low56.3Low61 Ų6175.7 Ų75.750%0.50445%0.452SS..Hα-helixtrans-66.1-41.1175.800000112.3E414 S415 Q416 A421 Q422E414-A418 WeakPolarHBondContact O-CB 3.5Å; E414-A418 PolarHBondContact O-N 3.46Å; S415-A418 PolarHBondContact O-N 3.16Å; Q416-A418 VanDerWaalsContact C-N 3.33Å; Q416-A418 PolarHBondContact O-N 3.2Å; A418-A421 PolarHBondContact O-N 2.89Å; A418-Q422 PolarHBondContact O-N 2.85Å
419A54.7Low56Low57 Ų5777.2 Ų77.247%0.47145%0.452SS..Hα-helixtrans-64.5-44175.900000112S415 Q416 A421 Q422 A423S415-A419 PolarHBondContact O-N 3.45Å; Q416-A419 PolarHBondContact O-N 2.92Å; A419-A421 VanDerWaalsContact C-N 3.34Å; A419-A421 PolarHBondContact O-N 2.87Å; A419-Q422 PolarHBondContact O-N 3.25Å; A419-A423 VanDerWaalsContact O-CB 3.3Å; A419-A423 WeakPolarHBondContact O-CB 3.46Å; A419-A423 PolarHBondContact O-N 3.27Å
420E51.9Low55.7Low60 Ų6074.5 Ų74.528%0.2845%0.448SS..Hα-helixtrans-60.6-41.4174.7-74.8175.9-170.100111.8Q416 A423 Q424Q416-E420 WeakPolarHBondContact O-CG 3.13Å; Q416-E420 PolarHBondContact O-N 3.39Å; E420-A423 PolarHBondContact O-N 3.36Å; E420-Q424 WeakPolarHBondContact O-CG 3.24Å; E420-Q424 PolarHBondContact O-N 3.46Å
421A56.5Low54.9Low55 Ų5571.7 Ų71.746%0.45545%0.445SS..Hα-helixtrans-66.7-40.5178.200000112.7A417 A418 A419 A425A417-A421 WeakPolarHBondContact O-CB 3.39Å; A417-A421 PolarHBondContact O-N 2.75Å; A418-A421 PolarHBondContact O-N 2.89Å; A419-A421 VanDerWaalsContact C-N 3.34Å; A419-A421 PolarHBondContact O-N 2.87Å; A421-A425 WeakPolarHBondContact O-CB 3.1Å; A421-A425 PolarHBondContact O-N 3.22Å
422Q59.5Low54.2Low125 Ų12571.4 Ų71.458%0.58444%0.442SS*.Hα-helixtrans-66.7-43.6176.7-172.8174.8-21.500111.2A418 A419 Q424 A425 E426A418-Q422 PolarHBondContact O-N 2.85Å; A419-Q422 PolarHBondContact O-N 3.25Å; Q422-Q424 PolarHBondContact O-N 3.22Å; Q422-A425 PolarHBondContact O-N 3Å; Q422-A425 VanDerWaalsContact O-N 3.16Å; Q422-E426 PolarHBondContact NE2-OE1 3.28Å; Q422-E426 PolarHBondContact O-N 3.48Å
423A51.3Low53.8Low15 Ų1571.5 Ų71.512%0.12444%0.443CS..Hα-helixtrans-58.6-45.2176.100000111.8F228 A419 E420 A425 E426 A427F228-A423 HydrophobicContact CE1-CB 3.9Å; F228-A423 HydrophobicContact CZ-CB 3.71Å; F228-A423 VanDerWaalsContact CZ-O 3.29Å; F228-A423 WeakPolarHBondContact CZ-O 3.42Å; A419-A423 VanDerWaalsContact O-CB 3.3Å; A419-A423 WeakPolarHBondContact O-CB 3.46Å; A419-A423 PolarHBondContact O-N 3.27Å; E420-A423 PolarHBondContact O-N 3.36Å; A423-A425 PolarHBondContact O-N 3.06Å; A423-E426 PolarHBondContact O-N 2.9Å; A423-A427 PolarHBondContact O-N 2.91Å
424Q50.6Low53.4Low44 Ų4472.2 Ų72.221%0.20645%0.449CS..Hα-helixtrans-64.1-39174.7-78.4175.7-0.700112.9E420 Q422 E426 A427 S428E420-Q424 WeakPolarHBondContact O-CG 3.24Å; E420-Q424 PolarHBondContact O-N 3.46Å; Q422-Q424 PolarHBondContact O-N 3.22Å; Q424-E426 VanDerWaalsContact C-N 3.29Å; Q424-E426 PolarHBondContact O-N 3.03Å; Q424-A427 PolarHBondContact O-N 3.37Å; Q424-S428 PolarHBondContact O-N 2.99Å; Q424-S428 PolarHBondContact O-OG 3.31Å
425A58.6Low52.6Low34 Ų3474.4 Ų74.428%0.28146%0.459SS..Hα-helixtrans-66.5-31.617800000112.7A421 Q422 A423 R429A421-A425 WeakPolarHBondContact O-CB 3.1Å; A421-A425 PolarHBondContact O-N 3.22Å; Q422-A425 PolarHBondContact O-N 3Å; Q422-A425 VanDerWaalsContact O-N 3.16Å; A423-A425 PolarHBondContact O-N 3.06Å; A425-R429 WeakPolarHBondContact O-CB 3.27Å; A425-R429 WeakPolarHBondContact O-CG 3.01Å; A425-R429 PolarHBondContact O-N 2.95Å; A425-R429 VanDerWaalsContact O-N 3.16Å; A425-R429 PolarHBondContact O-NE 3.35Å
426E58.2Low51.9Low98 Ų9878.3 Ų78.346%0.45847%0.468SS..Hα-helixtrans-74.6-39.5173.7-74.1176.3-169.400111.9Q422 A423 Q424 R429 S430Q422-E426 PolarHBondContact NE2-OE1 3.28Å; Q422-E426 PolarHBondContact O-N 3.48Å; A423-E426 PolarHBondContact O-N 2.9Å; Q424-E426 VanDerWaalsContact C-N 3.29Å; Q424-E426 PolarHBondContact O-N 3.03Å; E426-R429 PolarHBondContact O-N 3.41Å; E426-S430 WeakPolarHBondContact O-CB 3.43Å; E426-S430 PolarHBondContact O-N 3.32Å; E426-S430 PolarHBondContact O-OG 3.5Å
427A46.9Very low51.1Low34 Ų3478.5 Ų78.528%0.28148%0.477SS..Hα-helixtrans-62.9-45.8173.500000111.7F228 A423 Q424 R429 S430 A431F228-A427 HydrophobicContact CD1-CB 4.4Å; F228-A427 HydrophobicContact CD2-CB 4.41Å; F228-A427 HydrophobicContact CE1-CB 4.26Å; F228-A427 HydrophobicContact CE2-CB 4.28Å; F228-A427 HydrophobicContact CG-CB 4.45Å; F228-A427 HydrophobicContact CZ-CB 4.18Å; A423-A427 PolarHBondContact O-N 2.91Å; Q424-A427 PolarHBondContact O-N 3.37Å; A427-R429 VanDerWaalsContact C-N 3.32Å; A427-R429 PolarHBondContact O-N 3.04Å; A427-S430 PolarHBondContact O-N 3.43Å; A427-A431 PolarHBondContact O-N 3.42Å
428S53.3Low50.1Low68 Ų6882.4 Ų82.448%0.47650%0.497SS..Hα-helixtrans-62-37.7175.1-56.90000112.4Q424 A432Q424-S428 PolarHBondContact O-N 2.99Å; Q424-S428 PolarHBondContact O-OG 3.31Å; S428-A432 WeakPolarHBondContact O-CB 3.38Å; S428-A432 PolarHBondContact O-N 2.73Å
429R59.1Low48.8Very low175 Ų17585 Ų8566%0.6651%0.508SS*.Hα-helixtrans-66.4-38.8174.5-84.7-175-111.1-171.2-4112.4A425 E426 A427 A432 A433A425-R429 WeakPolarHBondContact O-CB 3.27Å; A425-R429 WeakPolarHBondContact O-CG 3.01Å; A425-R429 PolarHBondContact O-N 2.95Å; A425-R429 VanDerWaalsContact O-N 3.16Å; A425-R429 PolarHBondContact O-NE 3.35Å; E426-R429 PolarHBondContact O-N 3.41Å; A427-R429 VanDerWaalsContact C-N 3.32Å; A427-R429 PolarHBondContact O-N 3.04Å; R429-A432 PolarHBondContact O-N 2.96Å; R429-A433 WeakPolarHBondContact O-CB 3.31Å; R429-A433 PolarHBondContact O-N 2.62Å
430S51.7Low47.6Very low80 Ų8087.3 Ų87.356%0.55952%0.521SS*.Hα-helixtrans-69.6-41178.8-58.10000111.6E426 A427 A433 A434E426-S430 WeakPolarHBondContact O-CB 3.43Å; E426-S430 PolarHBondContact O-N 3.32Å; E426-S430 PolarHBondContact O-OG 3.5Å; A427-S430 PolarHBondContact O-N 3.43Å; S430-A433 PolarHBondContact O-N 3.39Å; S430-A434 PolarHBondContact O-N 2.97Å
431A45.9Very low46.7Very low56 Ų5689.4 Ų89.446%0.46354%0.542SS..Hα-helixtrans-63.1-43173.600000112.1A427 A433 A434 Q435A427-A431 PolarHBondContact O-N 3.42Å; A431-A433 VanDerWaalsContact C-N 3.34Å; A431-A433 PolarHBondContact O-N 2.94Å; A431-A434 PolarHBondContact O-N 3.35Å; A431-Q435 PolarHBondContact O-N 3.35Å
432A48.9Very low45.6Very low50 Ų5091.6 Ų91.641%0.41355%0.554SS.*Hα-helixtrans-66.1-34.4175.600000112.9S428 R429 Q435S428-A432 WeakPolarHBondContact O-CB 3.38Å; S428-A432 PolarHBondContact O-N 2.73Å; R429-A432 PolarHBondContact O-N 2.96Å; A432-Q435 PolarHBondContact O-N 3.17Å
433A50.4Low44.1Very low61 Ų6192 Ų9250%0.50457%0.565SS.*Hα-helixtrans-69.7-35.2176.100000112.4R429 S430 A431 Q435 Q436R429-A433 WeakPolarHBondContact O-CB 3.31Å; R429-A433 PolarHBondContact O-N 2.62Å; S430-A433 PolarHBondContact O-N 3.39Å; A431-A433 VanDerWaalsContact C-N 3.34Å; A431-A433 PolarHBondContact O-N 2.94Å; A433-Q435 VanDerWaalsContact C-N 3.28Å; A433-Q435 PolarHBondContact O-N 3.31Å; A433-Q436 PolarHBondContact O-N 3.12Å
434A43.3Very low43.1Very low74 Ų7497.8 Ų97.861%0.61260%0.599SS**Hα-helixtrans-67.4-26.3176.200000113.1S430 A431S430-A434 PolarHBondContact O-N 2.97Å; A431-A434 PolarHBondContact O-N 3.35Å
435Q42.9Very low42.2Very low169 Ų169103.6 Ų103.679%0.7963%0.632SS**THydrogen-bonded Turntrans-82-6.4178.3-72.4177.1-8.500114.4A431 A432 A433A431-Q435 PolarHBondContact O-N 3.35Å; A432-Q435 PolarHBondContact O-N 3.17Å; A433-Q435 VanDerWaalsContact C-N 3.28Å; A433-Q435 PolarHBondContact O-N 3.31Å
436Q42.1Very low41Very low164 Ų164109.9 Ų109.977%0.76666%0.661SS**THydrogen-bonded Turntrans-103.27.9-174.8-74.6-173.4-4.400115.8A433A433-Q436 PolarHBondContact O-N 3.12Å
437T37.2Very low39.6Very low119 Ų119109.7 Ų109.773%0.7368%0.675SS**  trans-106.298.7173.954.30000111.9
438T29.9Very low38.8Very low132 Ų132115.7 Ų115.781%0.8170%0.703SS**  trans-71.8175.6168.945.80000111
439P31.7Very low37.6Very low116 Ų116116.5 Ų116.575%0.75371%0.713SS**  cis-150.2177.823.238.5-13.5000119.3
440S30.1Very low36.2Very low104 Ų104117.1 Ų117.173%0.72772%0.724SS**  trans-24.3148167.657.20000122.8
441S33.1Very low35.5Very low105 Ų105122 Ų12273%0.73473%0.731SS**  trans100.7111.8137.473.40000121.3
442S32.1Very low35.5Very low100 Ų100121 Ų12170%0.69973%0.727SS**  trans60.4103133.862.90000121.9
443T28.2Very low35.2Very low133 Ų133124 Ų12482%0.81674%0.74SS**  38.1114.3127.344.30000120.6
444T31.7Very low35.1Very low138 Ų138124.9 Ų124.985%0.84774%0.739SS**  trans-149117.113239.60000110.7
445N31.8Very low35.1Very low165 Ų165127.4 Ų127.488%0.88274%0.738SS**  trans7.5112.7156.1-62.5-17.8000119
446D31.5Very low34.8Very low167 Ų167121 Ų12189%0.89371%0.714SS**  trans-123.6123.2145.3-123.7-21.8000108.4N448D446-N448 PolarHBondContact O-N 3.48Å
447A29.9Very low34.6Very low93 Ų93116.5 Ų116.577%0.76971%0.711SS**  trans-95.183.7-174.200000109.6
448N30.1Very low35.5Very low161 Ų161112.4 Ų112.486%0.86168%0.684SS**SBendtrans-173.7128.1157.8-102.7-18.7000108.9D446D446-N448 PolarHBondContact O-N 3.48Å
449A27.1Very low37Very low84 Ų84107.2 Ų107.269%0.69466%0.657SS**  trans6688.517500000117.1Y451A449-Y451 HydrophobicContact CB-CD2 4.16Å; A449-Y451 HydrophobicContact CB-CE2 4.07Å
450Q30.9Very low38.4Very low188 Ų188102.5 Ų102.588%0.87963%0.627SS**  trans-95.581.2159-119.6-179.2-18.700108.5G452Q450-G452 PolarHBondContact O-N 3.09Å
451Y37.6Very low40.3Very low183 Ų183103.6 Ų103.672%0.71862%0.62SS**  trans-71.6112.4156-67.3-85.6000105.8N291 A449N291-Y451 PolarHBondContact ND2-OH 3.2Å; A449-Y451 HydrophobicContact CB-CD2 4.16Å; A449-Y451 HydrophobicContact CB-CE2 4.07Å
452G44.5Very low41.9Very low35 Ų35103.8 Ų103.836%0.36161%0.61SS.*PPolyproline II helixtrans-96.9138168.600000110.5Q450 Y467Q450-G452 PolarHBondContact O-N 3.09Å; G452-Y467 WeakPolarHBondContact CA-OH 3.31Å; G452-Y467 PolarHBondContact N-OH 3.33Å; G452-Y467 PolarHBondContact O-OH 3.34Å
453T43.5Very low43.7Very low114 Ų11499.7 Ų99.770%0.69958%0.58SS**PPolyproline II helixtrans-66.2134.3177.315.90000110.2R466T453-R466 VanDerWaalsContact O-CZ 3.24Å; T453-R466 PolarHBondContact O-NH1 3.33Å; T453-R466 PolarHBondContact O-NH2 3Å
454V47Very low45.9Very low78 Ų7893.4 Ų93.447%0.47354%0.541SS..PPolyproline II helixtrans-82.2125165.9179.30000107.1E458 I463V454-E458 HydrophobicContact CG1-CB 4.05Å; V454-I463 HydrophobicContact CB-CD1 4.37Å; V454-I463 HydrophobicContact CG1-CD1 3.65Å; V454-I463 HydrophobicContact CG1-CG1 4.19Å; V454-I463 HydrophobicContact CG2-CD1 3.8Å; V454-I463 HydrophobicContact CG2-CG1 4.38Å
455Q44Very low47.9Very low127 Ų12789.4 Ų89.459%0.59353%0.527SS*.PPolyproline II helixtrans-79.3148.9173.5-59-166.3-41.300109.7G457 E458Q455-G457 PolarHBondContact O-N 3.32Å; Q455-E458 HydrophobicContact CB-CG 3.99Å; Q455-E458 PolarHBondContact N-OE2 2.81Å; Q455-E458 WeakPolarHBondContact O-CB 3.34Å; Q455-E458 PolarHBondContact O-N 2.79Å
456A36.1Very low50.1Low34 Ų3486.6 Ų86.628%0.28150%0.504SS..THydrogen-bonded Turntrans-52.1132.217300000111.2V98 Q100 E458V98-A456 WeakPolarHBondContact O-CB 3.3Å; Q100-A456 HydrophobicContact CB-CB 4.31Å; Q100-A456 HydrophobicContact CG-CB 4.21Å; A456-E458 VanDerWaalsContact C-N 3.29Å; A456-E458 PolarHBondContact O-N 2.75Å
457G39.4Very low52.2Low70 Ų7083 Ų8372%0.72248%0.479SS*.THydrogen-bonded Turntrans81.3-4.2-176.500000115.2Q455 G459 Q462Q455-G457 PolarHBondContact O-N 3.32Å; G457-G459 PolarHBondContact O-N 3.09Å; G457-G459 VanDerWaalsContact O-N 3.16Å; G457-Q462 PolarHBondContact O-OE1 2.88Å
458E55.2Low54.5Low33 Ų3382 Ų8215%0.15448%0.477CS..  trans-72.3110.5174.7-80.6-170.312200111.8V454 Q455 A456 Q462 I463 R466V454-E458 HydrophobicContact CG1-CB 4.05Å; Q455-E458 HydrophobicContact CB-CG 3.99Å; Q455-E458 PolarHBondContact N-OE2 2.81Å; Q455-E458 WeakPolarHBondContact O-CB 3.34Å; Q455-E458 PolarHBondContact O-N 2.79Å; A456-E458 VanDerWaalsContact C-N 3.29Å; A456-E458 PolarHBondContact O-N 2.75Å; E458-Q462 VanDerWaalsContact CA-OE1 3.23Å; E458-Q462 HydrophobicContact CB-CB 4.28Å; E458-Q462 HydrophobicContact CG-CB 4.05Å; E458-I463 HydrophobicContact CB-CD1 4.46Å; E458-I463 HydrophobicContact CB-CG1 3.89Å; E458-R466 WeakPolarHBondContact OE1-CD 3.46Å; E458-R466 IonicContact OE1-CZ 2.66Å; E458-R466 IonicContact OE1-NE 3.4Å; E458-R466 PolarHBondContact OE1-NE 3.41Å; E458-R466 IonicContact OE1-NH2 2.7Å; E458-R466 IonicContact OE2-CZ 3.79Å; E458-R466 IonicContact OE2-NE 2.77Å; E458-R466 PolarHBondContact OE2-NE 3.27Å; E458-R466 IonicContact OE2-NH2 3.03Å; E458-R466 PolarHBondContact OE2-NH2 3.26Å
459G61.1Low56.8Low24 Ų2476.5 Ų76.525%0.24745%0.447CS..  trans-73.4164.8168.300000112.3G457 Q461 Q462 I463G457-G459 PolarHBondContact O-N 3.09Å; G457-G459 VanDerWaalsContact O-N 3.16Å; G459-Q461 PolarHBondContact O-N 3.31Å; G459-Q462 PolarHBondContact O-N 2.75Å; G459-I463 WeakPolarHBondContact O-CG1 3.5Å; G459-I463 PolarHBondContact O-N 3.26Å; G459-I463 VanDerWaalsContact O-N 3.15Å
460P61.3Low59.2Low17 Ų1775.3 Ų75.311%0.1143%0.434CS..Hα-helixtrans-54.2-24-178.6-24.631.9000114.4A464 F474 L475 F485 F487P460-A464 WeakPolarHBondContact O-CB 3Å; P460-A464 PolarHBondContact O-N 3.47Å; P460-F474 HydrophobicContact CB-CD1 3.96Å; P460-F474 HydrophobicContact CB-CE1 3.82Å; P460-L475 HydrophobicContact CB-CD2 4.25Å; P460-F485 HydrophobicContact CG-CD1 3.83Å; P460-F485 HydrophobicContact CG-CE1 4.11Å; P460-F485 HydrophobicContact CG-CG 4.1Å; P460-F487 HydrophobicContact CB-CE1 4.09Å; P460-F487 HydrophobicContact CB-CZ 3.81Å; P460-F487 HydrophobicContact CG-CE1 4.28Å; P460-F487 HydrophobicContact CG-CZ 4.13Å
461Q70.2Confident61Low127 Ų12767.4 Ų67.459%0.59340%0.398SS*.Hα-helixtrans-76.8-38.8178.2-175.8162.5-9.600113.3G459 G465 V471 F487G459-Q461 PolarHBondContact O-N 3.31Å; Q461-G465 PolarHBondContact O-N 2.75Å; Q461-V471 HydrophobicContact CB-CG2 3.71Å; Q461-V471 HydrophobicContact CG-CG2 3.9Å; Q461-F487 HydrophobicContact CB-CD1 4.27Å; Q461-F487 HydrophobicContact CB-CE1 3.52Å; Q461-F487 HydrophobicContact CB-CZ 4.3Å
462Q67.6Low62.7Low109 Ų10962.1 Ų62.151%0.50938%0.383SS..Hα-helixtrans-68.5-42.7173.4-71.9151.7-35.600110.2G457 E458 G459 G465 R466G457-Q462 PolarHBondContact O-OE1 2.88Å; E458-Q462 VanDerWaalsContact CA-OE1 3.23Å; E458-Q462 HydrophobicContact CB-CB 4.28Å; E458-Q462 HydrophobicContact CG-CB 4.05Å; G459-Q462 PolarHBondContact O-N 2.75Å; Q462-G465 PolarHBondContact O-N 3.46Å; Q462-R466 PolarHBondContact O-N 3.19Å; Q462-R466 VanDerWaalsContact O-N 3.12Å
463I69.1Low64.3Low14 Ų1464.5 Ų64.57%0.07239%0.385CS..Hα-helixtrans-62.3-50.6176.3-52.9168.8000110.2V454 E458 G459 G465 R466 Y467 F474V454-I463 HydrophobicContact CB-CD1 4.37Å; V454-I463 HydrophobicContact CG1-CD1 3.65Å; V454-I463 HydrophobicContact CG1-CG1 4.19Å; V454-I463 HydrophobicContact CG2-CD1 3.8Å; V454-I463 HydrophobicContact CG2-CG1 4.38Å; E458-I463 HydrophobicContact CB-CD1 4.46Å; E458-I463 HydrophobicContact CB-CG1 3.89Å; G459-I463 WeakPolarHBondContact O-CG1 3.5Å; G459-I463 PolarHBondContact O-N 3.26Å; G459-I463 VanDerWaalsContact O-N 3.15Å; I463-G465 VanDerWaalsContact C-N 3.28Å; I463-G465 PolarHBondContact O-N 3.13Å; I463-R466 PolarHBondContact O-N 2.84Å; I463-Y467 HydrophobicContact CG2-CD2 4.16Å; I463-Y467 HydrophobicContact CG2-CE2 3.76Å; I463-Y467 WeakPolarHBondContact O-CD2 3.36Å; I463-F474 HydrophobicContact CB-CE1 4.4Å; I463-F474 HydrophobicContact CB-CE2 4.02Å; I463-F474 HydrophobicContact CB-CZ 3.9Å; I463-F474 HydrophobicContact CD1-CZ 4.06Å; I463-F474 HydrophobicContact CG2-CD2 4.06Å; I463-F474 HydrophobicContact CG2-CE1 4.46Å; I463-F474 HydrophobicContact CG2-CE2 3.28Å; I463-F474 HydrophobicContact CG2-CZ 3.53Å
464A74.6Confident65.9Low1 Ų160.1 Ų60.11%0.00836%0.356CS..Hα-helixtrans-56.3-43.1177.400000112P460 R466 Y467 G468 L469 V471 F474P460-A464 WeakPolarHBondContact O-CB 3Å; P460-A464 PolarHBondContact O-N 3.47Å; A464-R466 PolarHBondContact O-N 3.33Å; A464-Y467 PolarHBondContact O-N 2.99Å; A464-G468 PolarHBondContact O-N 3.1Å; A464-L469 CarbonylContact C-O 3.5Å; A464-L469 HydrophobicContact CB-CB 4.39Å; A464-L469 PolarHBondContact O-N 3.21Å; A464-V471 HydrophobicContact CB-CG2 4.27Å; A464-F474 HydrophobicContact CB-CB 3.54Å; A464-F474 HydrophobicContact CB-CG 3.98Å
465G74.4Confident67.2Low53 Ų5356.5 Ų56.555%0.54633%0.334SS..Hα-helixtrans-58.3-41.4177.600000113.6Q461 Q462 I463 Y467 G468Q461-G465 PolarHBondContact O-N 2.75Å; Q462-G465 PolarHBondContact O-N 3.46Å; I463-G465 VanDerWaalsContact C-N 3.28Å; I463-G465 PolarHBondContact O-N 3.13Å; G465-Y467 PolarHBondContact O-N 3.47Å; G465-G468 PolarHBondContact O-N 3.12Å; G465-G468 VanDerWaalsContact O-N 3.17Å
466R76.8Confident68.7Low106 Ų10659 Ų5940%0.434%0.338SS..Hα-helixtrans-62.1-30.5178.4-75.4-167-66.6142.12.4113.5T453 E458 Q462 I463 A464T453-R466 VanDerWaalsContact O-CZ 3.24Å; T453-R466 PolarHBondContact O-NH1 3.33Å; T453-R466 PolarHBondContact O-NH2 3Å; E458-R466 WeakPolarHBondContact OE1-CD 3.46Å; E458-R466 IonicContact OE1-CZ 2.66Å; E458-R466 IonicContact OE1-NE 3.4Å; E458-R466 PolarHBondContact OE1-NE 3.41Å; E458-R466 IonicContact OE1-NH2 2.7Å; E458-R466 IonicContact OE2-CZ 3.79Å; E458-R466 IonicContact OE2-NE 2.77Å; E458-R466 PolarHBondContact OE2-NE 3.27Å; E458-R466 IonicContact OE2-NH2 3.03Å; E458-R466 PolarHBondContact OE2-NH2 3.26Å; Q462-R466 PolarHBondContact O-N 3.19Å; Q462-R466 VanDerWaalsContact O-N 3.12Å; I463-R466 PolarHBondContact O-N 2.84Å; A464-R466 PolarHBondContact O-N 3.33Å
467Y76Confident70.6Confident93 Ų9362.4 Ų62.437%0.36535%0.351SS..THydrogen-bonded Turntrans-98.36.4179.9-59.2-74.2000113.6G452 I463 A464 G465 L469G452-Y467 WeakPolarHBondContact CA-OH 3.31Å; G452-Y467 PolarHBondContact N-OH 3.33Å; G452-Y467 PolarHBondContact O-OH 3.34Å; I463-Y467 HydrophobicContact CG2-CD2 4.16Å; I463-Y467 HydrophobicContact CG2-CE2 3.76Å; I463-Y467 WeakPolarHBondContact O-CD2 3.36Å; A464-Y467 PolarHBondContact O-N 2.99Å; G465-Y467 PolarHBondContact O-N 3.47Å; Y467-L469 PolarHBondContact O-N 2.84Å
468G79Confident72.1Confident71 Ų7163.5 Ų63.573%0.73234%0.34SS*.THydrogen-bonded Turntrans64.522.8-176.900000113.5A464 G465A464-G468 PolarHBondContact O-N 3.1Å; G465-G468 PolarHBondContact O-N 3.12Å; G465-G468 VanDerWaalsContact O-N 3.17Å
469L76.6Confident72.6Confident45 Ų4565.6 Ų65.624%0.23637%0.37CS..  trans-94.2148.3178.5-63.2171.3000109.6A464 Y467 E473 F474 L477A464-L469 CarbonylContact C-O 3.5Å; A464-L469 HydrophobicContact CB-CB 4.39Å; A464-L469 PolarHBondContact O-N 3.21Å; Y467-L469 PolarHBondContact O-N 2.84Å; L469-E473 HydrophobicContact CB-CB 4.39Å; L469-E473 HydrophobicContact CD2-CB 4.42Å; L469-E473 HydrophobicContact CD2-CG 3.97Å; L469-F474 HydrophobicContact CB-CB 4.32Å; L469-F474 HydrophobicContact CD1-CB 4.29Å; L469-F474 HydrophobicContact CD1-CD2 4.45Å; L469-L477 HydrophobicContact CD1-CD1 3.74Å; L469-L477 HydrophobicContact CD2-CD1 3.87Å; L469-L477 HydrophobicContact CG-CD1 4.47Å
470S78Confident72.6Confident60 Ų6067.2 Ų67.242%0.4237%0.372SS..  trans-68.1154159.270.20000109.6D472 E473 F474S470-D472 PolarHBondContact O-N 2.93Å; S470-E473 WeakPolarHBondContact O-CA 3.28Å; S470-E473 WeakPolarHBondContact O-CB 3.29Å; S470-E473 PolarHBondContact O-N 3.06Å; S470-E473 VanDerWaalsContact OG-CB 3.27Å; S470-E473 WeakPolarHBondContact OG-CB 3.47Å; S470-E473 PolarHBondContact OG-N 3.17Å; S470-F474 PolarHBondContact O-N 2.91Å
471V70.1Confident72.5Confident21 Ų2170.7 Ų70.713%0.12739%0.39CS..Hα-helixtrans-52.2-41.9173.7168.60000111.4Q461 A464 E473 F474 L475 F487Q461-V471 HydrophobicContact CB-CG2 3.71Å; Q461-V471 HydrophobicContact CG-CG2 3.9Å; A464-V471 HydrophobicContact CB-CG2 4.27Å; V471-E473 VanDerWaalsContact C-N 3.28Å; V471-E473 PolarHBondContact O-N 3.04Å; V471-F474 PolarHBondContact O-N 2.96Å; V471-L475 HydrophobicContact CG1-CD1 3.79Å; V471-L475 HydrophobicContact CG1-CG 4.2Å; V471-L475 WeakPolarHBondContact O-CB 3.47Å; V471-L475 VanDerWaalsContact O-CG 3.25Å; V471-L475 WeakPolarHBondContact O-CG 3.14Å; V471-L475 PolarHBondContact O-N 3.04Å; V471-F487 HydrophobicContact CG1-CE2 3.93Å; V471-F487 HydrophobicContact CG1-CZ 3.49Å; V471-F487 VanDerWaalsContact CG1-CZ 3.49Å; V471-F487 HydrophobicContact CG2-CZ 4.19Å
472D73.4Confident71.7Confident73 Ų7371.4 Ų71.439%0.3939%0.387SS..Hα-helixtrans-62.7-38.4178.6-70.2-30.7000112.2S470 R476 R482S470-D472 PolarHBondContact O-N 2.93Å; D472-R476 WeakPolarHBondContact O-CB 2.92Å; D472-R476 PolarHBondContact O-N 3.5Å; D472-R482 WeakPolarHBondContact OD1-CD 3.39Å; D472-R482 IonicContact OD1-CZ 3.2Å; D472-R482 IonicContact OD1-NE 2.66Å; D472-R482 PolarHBondContact OD1-NE 3Å; D472-R482 IonicContact OD1-NH2 2.69Å; D472-R482 PolarHBondContact OD1-NH2 3.31Å; D472-R482 IonicContact OD2-CZ 2.78Å; D472-R482 VanDerWaalsContact OD2-CZ 3.3Å; D472-R482 IonicContact OD2-NE 3.3Å; D472-R482 IonicContact OD2-NH1 3.56Å; D472-R482 IonicContact OD2-NH2 3.42Å; D472-R482 PolarHBondContact OD2-NH2 3.49Å
473E76.7Confident70.9Confident85 Ų8570.2 Ų70.240%0.39739%0.39SS..Hα-helixtrans-72.5-41.3178.8-157.8168.9-163.400111.3L469 S470 V471 R476 L477L469-E473 HydrophobicContact CB-CB 4.39Å; L469-E473 HydrophobicContact CD2-CB 4.42Å; L469-E473 HydrophobicContact CD2-CG 3.97Å; S470-E473 WeakPolarHBondContact O-CA 3.28Å; S470-E473 WeakPolarHBondContact O-CB 3.29Å; S470-E473 PolarHBondContact O-N 3.06Å; S470-E473 VanDerWaalsContact OG-CB 3.27Å; S470-E473 WeakPolarHBondContact OG-CB 3.47Å; S470-E473 PolarHBondContact OG-N 3.17Å; V471-E473 VanDerWaalsContact C-N 3.28Å; V471-E473 PolarHBondContact O-N 3.04Å; E473-R476 PolarHBondContact O-N 3.28Å; E473-L477 HydrophobicContact CG-CD1 4.34Å; E473-L477 VanDerWaalsContact O-CB 3.31Å; E473-L477 WeakPolarHBondContact O-CB 3.39Å; E473-L477 WeakPolarHBondContact O-CD1 3.36Å; E473-L477 WeakPolarHBondContact O-CG 3.38Å; E473-L477 PolarHBondContact O-N 2.95Å
474F77.6Confident69.5Low21 Ų2175 Ų759%0.09242%0.416CS..Hα-helixtrans-59.5-49.2172.3172.4-100.5000111.9P460 I463 A464 L469 S470 V471 L477 N478 M480P460-F474 HydrophobicContact CB-CD1 3.96Å; P460-F474 HydrophobicContact CB-CE1 3.82Å; I463-F474 HydrophobicContact CB-CE1 4.4Å; I463-F474 HydrophobicContact CB-CE2 4.02Å; I463-F474 HydrophobicContact CB-CZ 3.9Å; I463-F474 HydrophobicContact CD1-CZ 4.06Å; I463-F474 HydrophobicContact CG2-CD2 4.06Å; I463-F474 HydrophobicContact CG2-CE1 4.46Å; I463-F474 HydrophobicContact CG2-CE2 3.28Å; I463-F474 HydrophobicContact CG2-CZ 3.53Å; A464-F474 HydrophobicContact CB-CB 3.54Å; A464-F474 HydrophobicContact CB-CG 3.98Å; L469-F474 HydrophobicContact CB-CB 4.32Å; L469-F474 HydrophobicContact CD1-CB 4.29Å; L469-F474 HydrophobicContact CD1-CD2 4.45Å; S470-F474 PolarHBondContact O-N 2.91Å; V471-F474 PolarHBondContact O-N 2.96Å; F474-L477 PolarHBondContact O-N 2.73Å; F474-N478 WeakPolarHBondContact CE2-ND2 3.3Å; F474-N478 PolarHBondContact O-N 2.99Å; F474-N478 PolarHBondContact O-ND2 3.12Å; F474-M480 HydrophobicContact CE1-CE 4.28Å
475L74.6Confident67.9Low2 Ų278.6 Ų78.61%0.0143%0.432CS..Hα-helixtrans-62.3-47.8178.1-68.6174.6000110.7P460 V471 L477 N478 G479 M480 R482 F485P460-L475 HydrophobicContact CB-CD2 4.25Å; V471-L475 HydrophobicContact CG1-CD1 3.79Å; V471-L475 HydrophobicContact CG1-CG 4.2Å; V471-L475 WeakPolarHBondContact O-CB 3.47Å; V471-L475 VanDerWaalsContact O-CG 3.25Å; V471-L475 WeakPolarHBondContact O-CG 3.14Å; V471-L475 PolarHBondContact O-N 3.04Å; L475-L477 VanDerWaalsContact C-N 3.33Å; L475-L477 PolarHBondContact O-N 2.5Å; L475-N478 CarbonylContact O-C 3.49Å; L475-N478 PolarHBondContact O-N 3.02Å; L475-G479 PolarHBondContact O-N 3.21Å; L475-M480 CarbonylContact C-O 3.4Å; L475-M480 HydrophobicContact CB-CB 4.22Å; L475-M480 HydrophobicContact CD2-CB 3.93Å; L475-M480 HydrophobicContact CD2-CE 4.15Å; L475-M480 WeakPolarHBondContact O-CA 3.34Å; L475-M480 PolarHBondContact O-N 2.82Å; L475-M480 VanDerWaalsContact O-O 3.1Å; L475-R482 HydrophobicContact CD1-CB 4.48Å; L475-R482 HydrophobicContact CD1-CG 3.82Å; L475-F485 HydrophobicContact CD2-CD2 3.71Å; L475-F485 HydrophobicContact CD2-CE2 3.75Å
476R76Confident66.4Low180 Ų18080.6 Ų80.668%0.67942%0.423SS*.Hα-helixtrans-60.1-40.5179.1-170.9-176.576.6102.30.5112.7D472 E473 N478 G479D472-R476 WeakPolarHBondContact O-CB 2.92Å; D472-R476 PolarHBondContact O-N 3.5Å; E473-R476 PolarHBondContact O-N 3.28Å; R476-N478 PolarHBondContact O-N 2.99Å; R476-G479 PolarHBondContact O-N 2.87Å
477L76.1Confident64.8Low106 Ų10678.4 Ų78.456%0.55542%0.417SS*.Hα-helixtrans-66.5-25.5178.1-76.7168.5000112.7L469 E473 F474 L475L469-L477 HydrophobicContact CD1-CD1 3.74Å; L469-L477 HydrophobicContact CD2-CD1 3.87Å; L469-L477 HydrophobicContact CG-CD1 4.47Å; E473-L477 HydrophobicContact CG-CD1 4.34Å; E473-L477 VanDerWaalsContact O-CB 3.31Å; E473-L477 WeakPolarHBondContact O-CB 3.39Å; E473-L477 WeakPolarHBondContact O-CD1 3.36Å; E473-L477 WeakPolarHBondContact O-CG 3.38Å; E473-L477 PolarHBondContact O-N 2.95Å; F474-L477 PolarHBondContact O-N 2.73Å; L475-L477 VanDerWaalsContact C-N 3.33Å; L475-L477 PolarHBondContact O-N 2.5Å
478N70.7Confident63.7Low93 Ų9380 Ų8050%0.49743%0.432SS..THydrogen-bonded Turntrans-100.614.6177.9-68.7-81.6000113.2F474 L475 R476 M480F474-N478 WeakPolarHBondContact CE2-ND2 3.3Å; F474-N478 PolarHBondContact O-N 2.99Å; F474-N478 PolarHBondContact O-ND2 3.12Å; L475-N478 CarbonylContact O-C 3.49Å; L475-N478 PolarHBondContact O-N 3.02Å; R476-N478 PolarHBondContact O-N 2.99Å; N478-M480 HydrophobicContact CB-CE 3.48Å; N478-M480 VanDerWaalsContact CB-CE 3.48Å; N478-M480 HydrophobicContact CB-CG 4.4Å; N478-M480 WeakPolarHBondContact O-CG 3.5Å; N478-M480 PolarHBondContact O-N 3.41Å
479G64.3Low62.5Low76 Ų7677.6 Ų77.678%0.78440%0.403SS*.THydrogen-bonded Turntrans68.818179.800000114.4L475 R476L475-G479 PolarHBondContact O-N 3.21Å; R476-G479 PolarHBondContact O-N 2.87Å
480M61.2Low62Low59 Ų5980.7 Ų80.729%0.29142%0.42SS..  trans-106.8157.8-177.7-58.9-172.9-74.200111.3F474 L475 N478 F485F474-M480 HydrophobicContact CE1-CE 4.28Å; L475-M480 CarbonylContact C-O 3.4Å; L475-M480 HydrophobicContact CB-CB 4.22Å; L475-M480 HydrophobicContact CD2-CB 3.93Å; L475-M480 HydrophobicContact CD2-CE 4.15Å; L475-M480 WeakPolarHBondContact O-CA 3.34Å; L475-M480 PolarHBondContact O-N 2.82Å; L475-M480 VanDerWaalsContact O-O 3.1Å; N478-M480 HydrophobicContact CB-CE 3.48Å; N478-M480 VanDerWaalsContact CB-CE 3.48Å; N478-M480 HydrophobicContact CB-CG 4.4Å; N478-M480 WeakPolarHBondContact O-CG 3.5Å; N478-M480 PolarHBondContact O-N 3.41Å; M480-F485 HydrophobicContact CB-CE2 4.14Å; M480-F485 HydrophobicContact CE-CE2 4.2Å; M480-F485 HydrophobicContact CE-CZ 4.22Å; M480-F485 HydrophobicContact CG-CE2 4.27Å; M480-F485 HydrophobicContact SD-CE2 3.37Å; M480-F485 WeakPolarHBondContact SD-CE2 3.46Å; M480-F485 HydrophobicContact SD-CZ 3.46Å; M480-F485 WeakPolarHBondContact SD-CZ 3.44Å
481D60.3Low61.8Low89 Ų8980.9 Ų80.948%0.47641%0.414SS..  trans-126.2151176.9140.735.9000108.6S483 N484D481-S483 PolarHBondContact O-N 2.88Å; D481-S483 VanDerWaalsContact O-N 3.08Å; D481-S483 PolarHBondContact OD1-N 3.05Å; D481-S483 PolarHBondContact OD1-OG 3.25Å; D481-S483 WeakPolarHBondContact OD2-CB 3.17Å; D481-S483 PolarHBondContact OD2-OG 3.19Å; D481-N484 PolarHBondContact O-N 3.26Å
482R53.6Low62.1Low143 Ų14384 Ų8454%0.5443%0.431SS..G310 helixtrans-51.2-28.2175.9-78.2-167.6175.2168.55.6113.5D472 L475 N484 F485D472-R482 WeakPolarHBondContact OD1-CD 3.39Å; D472-R482 IonicContact OD1-CZ 3.2Å; D472-R482 IonicContact OD1-NE 2.66Å; D472-R482 PolarHBondContact OD1-NE 3Å; D472-R482 IonicContact OD1-NH2 2.69Å; D472-R482 PolarHBondContact OD1-NH2 3.31Å; D472-R482 IonicContact OD2-CZ 2.78Å; D472-R482 VanDerWaalsContact OD2-CZ 3.3Å; D472-R482 IonicContact OD2-NE 3.3Å; D472-R482 IonicContact OD2-NH1 3.56Å; D472-R482 IonicContact OD2-NH2 3.42Å; D472-R482 PolarHBondContact OD2-NH2 3.49Å; L475-R482 HydrophobicContact CD1-CB 4.48Å; L475-R482 HydrophobicContact CD1-CG 3.82Å; R482-N484 PolarHBondContact O-N 3.38Å; R482-F485 PolarHBondContact O-N 3.25Å
483S49.7Very low62.2Low83 Ų8381.6 Ų81.658%0.5842%0.423SS*.G310 helixtrans-63.4-18178.577.80000113.7D481D481-S483 PolarHBondContact O-N 2.88Å; D481-S483 VanDerWaalsContact O-N 3.08Å; D481-S483 PolarHBondContact OD1-N 3.05Å; D481-S483 PolarHBondContact OD1-OG 3.25Å; D481-S483 WeakPolarHBondContact OD2-CB 3.17Å; D481-S483 PolarHBondContact OD2-OG 3.19Å
484N41.1Very low62Low114 Ų11477.8 Ų77.861%0.6141%0.405SS*.G310 helixtrans-92.3-7.2-179.8-68-20000114.3D481 R482D481-N484 PolarHBondContact O-N 3.26Å; R482-N484 PolarHBondContact O-N 3.38Å
485F40.4Very low62.1Low78 Ų7877 Ų7734%0.34240%0.403SS..  trans-127.6120.8-179.2-69.6-87.1000111.5P460 L475 M480 R482P460-F485 HydrophobicContact CG-CD1 3.83Å; P460-F485 HydrophobicContact CG-CE1 4.11Å; P460-F485 HydrophobicContact CG-CG 4.1Å; L475-F485 HydrophobicContact CD2-CD2 3.71Å; L475-F485 HydrophobicContact CD2-CE2 3.75Å; M480-F485 HydrophobicContact CB-CE2 4.14Å; M480-F485 HydrophobicContact CE-CE2 4.2Å; M480-F485 HydrophobicContact CE-CZ 4.22Å; M480-F485 HydrophobicContact CG-CE2 4.27Å; M480-F485 HydrophobicContact SD-CE2 3.37Å; M480-F485 WeakPolarHBondContact SD-CE2 3.46Å; M480-F485 HydrophobicContact SD-CZ 3.46Å; M480-F485 WeakPolarHBondContact SD-CZ 3.44Å; R482-F485 PolarHBondContact O-N 3.25Å
486Y42.2Very low62.3Low94 Ų9482.1 Ų82.137%0.36943%0.427SS..  trans-85.9117.2156.2-172-104.5000107.8F328 I331 D488 P489 L497F328-Y486 HydrophobicContact CD2-CD2 4.1Å; F328-Y486 HydrophobicContact CD2-CE1 4.47Å; F328-Y486 AromaticContact CD2-CE2 3.26Å; F328-Y486 HydrophobicContact CD2-CE2 3.26Å; F328-Y486 AromaticContact CD2-CZ 3.43Å; F328-Y486 VanDerWaalsContact CD2-CZ 3.43Å; F328-Y486 VanDerWaalsContact CD2-OH 3.26Å; F328-Y486 WeakPolarHBondContact CD2-OH 3.17Å; F328-Y486 AromaticContact CE2-CE2 3.77Å; F328-Y486 HydrophobicContact CE2-CE2 3.77Å; F328-Y486 AromaticContact CE2-CZ 3.84Å; F328-Y486 VanDerWaalsContact CE2-OH 3.23Å; F328-Y486 WeakPolarHBondContact CE2-OH 3.45Å; F328-Y486 HydrophobicContact CG-CE2 4.39Å; I331-Y486 HydrophobicContact CD1-CD1 4.06Å; I331-Y486 HydrophobicContact CD1-CE1 3.5Å; I331-Y486 VanDerWaalsContact CD1-CE1 3.5Å; Y486-D488 PolarHBondContact O-N 3.28Å; Y486-P489 HydrophobicContact CE1-CG 4.25Å; Y486-L497 WeakPolarHBondContact OH-CD1 3.38Å
487F42.6Very low62.3Low60 Ų6074.2 Ų74.226%0.26340%0.398SS..  trans-69.2125.6176.6-87.9-87.8000109.4P460 Q461 V471 P489P460-F487 HydrophobicContact CB-CE1 4.09Å; P460-F487 HydrophobicContact CB-CZ 3.81Å; P460-F487 HydrophobicContact CG-CE1 4.28Å; P460-F487 HydrophobicContact CG-CZ 4.13Å; Q461-F487 HydrophobicContact CB-CD1 4.27Å; Q461-F487 HydrophobicContact CB-CE1 3.52Å; Q461-F487 HydrophobicContact CB-CZ 4.3Å; V471-F487 HydrophobicContact CG1-CE2 3.93Å; V471-F487 HydrophobicContact CG1-CZ 3.49Å; V471-F487 VanDerWaalsContact CG1-CZ 3.49Å; V471-F487 HydrophobicContact CG2-CZ 4.19Å; F487-P489 WeakPolarHBondContact O-CD 3.45Å
488D52.8Low62.3Low126 Ų12670.4 Ų70.467%0.67438%0.379SS*.  trans-54.3107.2165.1-170.614.8000107.8Y486 D490Y486-D488 PolarHBondContact O-N 3.28Å; D488-D490 PolarHBondContact O-N 3.01Å
489P54.4Low62.7Low21 Ų2171 Ų7114%0.13638%0.377CS..  trans-67.6136.9-178.4-3.819.1000107.5Y486 F487 G493 L494 L497Y486-P489 HydrophobicContact CE1-CG 4.25Å; F487-P489 WeakPolarHBondContact O-CD 3.45Å; P489-G493 VanDerWaalsContact CB-C 3.5Å; P489-L494 HydrophobicContact CB-CD2 4.33Å; P489-L494 HydrophobicContact CB-CG 4.1Å; P489-L494 HydrophobicContact CG-CD2 3.86Å; P489-L494 HydrophobicContact CG-CG 4.18Å; P489-L497 HydrophobicContact CG-CD1 3.95Å
490D67Low63.4Low111 Ų11173.4 Ų73.459%0.59437%0.366SS*.  trans-58.9174.316457.217.6000110.7D488 D492 G493 L494D488-D490 PolarHBondContact O-N 3.01Å; D490-D492 PolarHBondContact O-N 3.49Å; D490-D492 PolarHBondContact OD1-N 2.87Å; D490-G493 WeakPolarHBondContact O-CA 3.41Å; D490-G493 PolarHBondContact O-N 3.14Å; D490-G493 PolarHBondContact OD1-N 3.48Å; D490-L494 PolarHBondContact O-N 2.97Å
491E73.7Confident64.3Low63 Ų6372.7 Ų72.729%0.29436%0.36SS..Hα-helixtrans-50.4-36-179.4-174.8-177.9-156.900112.9A495 H540 G541 K542E491-A495 WeakPolarHBondContact O-CB 3.36Å; E491-A495 PolarHBondContact O-N 2.64Å; E491-A495 VanDerWaalsContact O-N 3.12Å; E491-H540 HydrophobicContact CG-CB 4.12Å; E491-G541 PolarHBondContact OE1-N 3.35Å; E491-K542 HydrophobicContact CG-CB 3.87Å; E491-K542 HydrophobicContact CG-CD 3.93Å; E491-K542 HydrophobicContact CG-CG 3.98Å; E491-K542 PolarHBondContact OE1-N 3.15Å
492D76.5Confident65.2Low88 Ų8871.8 Ų71.847%0.47136%0.359SS..Hα-helixtrans-70.3-43.9176.2-78.1-51.6000112.2D490 L494 A495 E496 K542D490-D492 PolarHBondContact O-N 3.49Å; D490-D492 PolarHBondContact OD1-N 2.87Å; D492-L494 VanDerWaalsContact C-N 3.34Å; D492-L494 PolarHBondContact O-N 2.82Å; D492-A495 PolarHBondContact O-N 2.76Å; D492-E496 WeakPolarHBondContact O-CG 3.16Å; D492-E496 PolarHBondContact O-N 3.2Å; D492-K542 WeakPolarHBondContact OD1-CD 3.22Å; D492-K542 IonicContact OD1-NZ 2.64Å; D492-K542 PolarHBondContact OD1-NZ 3.45Å; D492-K542 IonicContact OD2-NZ 2.61Å; D492-K542 PolarHBondContact OD2-NZ 3.5Å
493G74.1Confident66.3Low22 Ų2266.4 Ų66.423%0.22734%0.341CS..Hα-helixtrans-60.4-41.6174.700000112.6P489 D490 E496 L497P489-G493 VanDerWaalsContact CB-C 3.5Å; D490-G493 WeakPolarHBondContact O-CA 3.41Å; D490-G493 PolarHBondContact O-N 3.14Å; D490-G493 PolarHBondContact OD1-N 3.48Å; G493-E496 PolarHBondContact O-N 2.94Å; G493-L497 WeakPolarHBondContact O-CG 3.2Å; G493-L497 PolarHBondContact O-N 3.19Å; G493-L497 VanDerWaalsContact O-N 3.16Å
494L73.7Confident67.8Low5 Ų565.4 Ų65.43%0.02633%0.331CS..Hα-helixtrans-64.7-42.2176.4-72.3172.3000111.5I331 P489 D490 D492 E496 L497 T498 V543I331-L494 HydrophobicContact CG2-CD2 3.57Å; P489-L494 HydrophobicContact CB-CD2 4.33Å; P489-L494 HydrophobicContact CB-CG 4.1Å; P489-L494 HydrophobicContact CG-CD2 3.86Å; P489-L494 HydrophobicContact CG-CG 4.18Å; D490-L494 PolarHBondContact O-N 2.97Å; D492-L494 VanDerWaalsContact C-N 3.34Å; D492-L494 PolarHBondContact O-N 2.82Å; L494-E496 VanDerWaalsContact C-N 3.32Å; L494-E496 PolarHBondContact O-N 3.07Å; L494-L497 HydrophobicContact CD2-CD1 4.43Å; L494-L497 WeakPolarHBondContact O-CB 3.28Å; L494-L497 PolarHBondContact O-N 2.86Å; L494-T498 PolarHBondContact O-N 2.58Å; L494-V543 HydrophobicContact CB-CG2 3.61Å; L494-V543 HydrophobicContact CD1-CG2 4.48Å
495A78.5Confident69.7Low5 Ų562.8 Ų62.84%0.04132%0.315CS..Hα-helixtrans-67-29.2175.700000113.2E491 D492 T498 K542 E546E491-A495 WeakPolarHBondContact O-CB 3.36Å; E491-A495 PolarHBondContact O-N 2.64Å; E491-A495 VanDerWaalsContact O-N 3.12Å; D492-A495 PolarHBondContact O-N 2.76Å; A495-T498 PolarHBondContact O-OG1 2.76Å; A495-K542 HydrophobicContact CB-CB 4.05Å; A495-E546 HydrophobicContact CB-CG 4.38Å
496E78.9Confident71.7Confident109 Ų10965.5 Ų65.551%0.50933%0.326SS..Hα-helixtrans-74.3-28.5173.7-75.4-61.912100112.6D492 G493 L494 K499 K500D492-E496 WeakPolarHBondContact O-CG 3.16Å; D492-E496 PolarHBondContact O-N 3.2Å; G493-E496 PolarHBondContact O-N 2.94Å; L494-E496 VanDerWaalsContact C-N 3.32Å; L494-E496 PolarHBondContact O-N 3.07Å; E496-K499 PolarHBondContact O-N 3.3Å; E496-K499 IonicContact OE1-NZ 2.87Å; E496-K499 PolarHBondContact OE1-NZ 2.83Å; E496-K500 WeakPolarHBondContact O-CB 3.47Å; E496-K500 PolarHBondContact O-N 3.49Å
497L76.7Confident73.4Confident14 Ų1467.7 Ų67.77%0.07334%0.34CS..Hα-helixtrans-64.5-39174.3-67.5174.9000112.3F328 I331 L332 L335 Y486 P489 G493 L494 K499 K500 Y501F328-L497 HydrophobicContact CE2-CD2 3.48Å; F328-L497 VanDerWaalsContact CE2-CD2 3.48Å; F328-L497 HydrophobicContact CZ-CD2 3.39Å; I331-L497 HydrophobicContact CG2-CD1 3.91Å; L332-L497 HydrophobicContact CD1-CB 4.22Å; L335-L497 HydrophobicContact CD1-CB 4.45Å; Y486-L497 WeakPolarHBondContact OH-CD1 3.38Å; P489-L497 HydrophobicContact CG-CD1 3.95Å; G493-L497 WeakPolarHBondContact O-CG 3.2Å; G493-L497 PolarHBondContact O-N 3.19Å; G493-L497 VanDerWaalsContact O-N 3.16Å; L494-L497 HydrophobicContact CD2-CD1 4.43Å; L494-L497 WeakPolarHBondContact O-CB 3.28Å; L494-L497 PolarHBondContact O-N 2.86Å; L497-K499 PolarHBondContact O-N 3.48Å; L497-K500 PolarHBondContact O-N 2.99Å; L497-Y501 HydrophobicContact CD2-CE2 4.3Å; L497-Y501 PolarHBondContact O-N 2.92Å; L497-Y501 VanDerWaalsContact O-N 3.1Å
498T75Confident75.1Confident25 Ų2567 Ų6715%0.15334%0.342CS..Hα-helixtrans-61.5-34.8177.662.40000112.1L335 L494 A495 L547L335-T498 HydrophobicContact CB-CG2 4.47Å; L335-T498 HydrophobicContact CD1-CG2 3.56Å; L335-T498 HydrophobicContact CD2-CG2 3.59Å; L335-T498 HydrophobicContact CG-CG2 4.06Å; L494-T498 PolarHBondContact O-N 2.58Å; A495-T498 PolarHBondContact O-OG1 2.76Å; T498-L547 HydrophobicContact CG2-CD2 4.05Å
499K80.6Confident76.1Confident105 Ų10565.9 Ų65.946%0.45735%0.351SS..Hα-helixtrans-76.2-40176.8-65.2173-167.51600112.3E496 L497 Y501 E546E496-K499 PolarHBondContact O-N 3.3Å; E496-K499 IonicContact OE1-NZ 2.87Å; E496-K499 PolarHBondContact OE1-NZ 2.83Å; L497-K499 PolarHBondContact O-N 3.48Å; K499-Y501 VanDerWaalsContact C-N 3.3Å; K499-Y501 PolarHBondContact O-N 3.45Å; K499-E546 VanDerWaalsContact CE-CD 3.41Å; K499-E546 WeakPolarHBondContact CE-OE1 3.37Å; K499-E546 IonicContact NZ-OE1 3.52Å; K499-E546 PolarHBondContact NZ-OE1 3.09Å
500K79.4Confident76.9Confident128 Ų12873.9 Ų73.956%0.55739%0.386SS*.Hα-helixtrans-69.3-29.6-176.1-174.1174.8167.1-150.40112.3E496 L497E496-K500 WeakPolarHBondContact O-CB 3.47Å; E496-K500 PolarHBondContact O-N 3.49Å; L497-K500 PolarHBondContact O-N 2.99Å
501Y78.9Confident77.2Confident44 Ų4470.2 Ų70.217%0.17338%0.375CS..SBendtrans-125.384.7-179.4-57.3-101.1000111.1F328 L332 L497 K499 D517F328-Y501 HydrophobicContact CE1-CD1 4.4Å; F328-Y501 HydrophobicContact CE1-CD2 4.07Å; F328-Y501 AromaticContact CE1-CE1 3.72Å; F328-Y501 HydrophobicContact CE1-CE1 3.72Å; F328-Y501 AromaticContact CE1-CE2 3.34Å; F328-Y501 HydrophobicContact CE1-CE2 3.34Å; F328-Y501 AromaticContact CE1-CZ 3.14Å; F328-Y501 WeakPolarHBondContact CE1-OH 3.35Å; F328-Y501 HydrophobicContact CZ-CD2 4.15Å; F328-Y501 HydrophobicContact CZ-CE1 4.4Å; F328-Y501 AromaticContact CZ-CE2 3.24Å; F328-Y501 HydrophobicContact CZ-CE2 3.24Å; F328-Y501 AromaticContact CZ-CZ 3.4Å; F328-Y501 VanDerWaalsContact CZ-CZ 3.4Å; F328-Y501 VanDerWaalsContact CZ-OH 3.24Å; F328-Y501 WeakPolarHBondContact CZ-OH 3.37Å; L332-Y501 VanDerWaalsContact CD1-CB 3.5Å; L332-Y501 HydrophobicContact CD1-CD1 4.12Å; L332-Y501 HydrophobicContact CD1-CD2 3.14Å; L332-Y501 HydrophobicContact CD1-CE2 3.91Å; L332-Y501 HydrophobicContact CD1-CG 3.3Å; L332-Y501 HydrophobicContact CD2-CD1 3.77Å; L332-Y501 HydrophobicContact CD2-CD2 4.28Å; L332-Y501 HydrophobicContact CD2-CG 3.49Å; L332-Y501 VanDerWaalsContact CD2-CG 3.49Å; L332-Y501 HydrophobicContact CG-CD2 4.24Å; L332-Y501 HydrophobicContact CG-CG 3.92Å; L497-Y501 HydrophobicContact CD2-CE2 4.3Å; L497-Y501 PolarHBondContact O-N 2.92Å; L497-Y501 VanDerWaalsContact O-N 3.1Å; K499-Y501 VanDerWaalsContact C-N 3.3Å; K499-Y501 PolarHBondContact O-N 3.45Å; Y501-D517 HydrophobicContact CD1-CB 3.54Å; Y501-D517 HydrophobicContact CE1-CB 4.36Å; Y501-D517 HydrophobicContact CG-CB 4.24Å
502P78.5Confident77.4Confident69 Ų6971.3 Ų71.345%0.44838%0.379SS..  trans-65.9143.7-17827.6-34.5000111.3D517P502-D517 PolarHBondContact O-N 3.46Å
503I78.1Confident77.7Confident31 Ų3169.6 Ų69.616%0.15937%0.37CS..EExtended strand (participates in β ladder)trans-95.6130.9-178.1-62.7156.9000109.8L336 L339 F505 F515L336-I503 HydrophobicContact CB-CD1 4.49Å; L336-I503 HydrophobicContact CD1-CD1 4.06Å; L336-I503 HydrophobicContact CD1-CG1 3.7Å; L336-I503 HydrophobicContact CD2-CB 4.26Å; L336-I503 HydrophobicContact CD2-CD1 4.01Å; L336-I503 HydrophobicContact CD2-CG1 3.88Å; L336-I503 HydrophobicContact CD2-CG2 3.41Å; L336-I503 VanDerWaalsContact CD2-CG2 3.41Å; L336-I503 HydrophobicContact CG-CB 4.46Å; L336-I503 HydrophobicContact CG-CD1 3.48Å; L336-I503 VanDerWaalsContact CG-CD1 3.48Å; L336-I503 HydrophobicContact CG-CG1 3.56Å; L336-I503 HydrophobicContact CG-CG2 4.11Å; L339-I503 HydrophobicContact CD1-CD1 3.47Å; L339-I503 VanDerWaalsContact CD1-CD1 3.47Å; I503-F505 HydrophobicContact CG2-CE1 4.45Å; I503-F505 HydrophobicContact CG2-CE2 4.02Å; I503-F505 HydrophobicContact CG2-CZ 3.8Å; I503-F515 WeakPolarHBondContact CA-O 3.15Å
504T81.4Confident78Confident62 Ų6268.8 Ų68.838%0.3836%0.361SS..EExtended strand (participates in β ladder)trans-135.6161.7175.166.30000112.1F515T504-F515 PolarHBondContact N-O 3.19Å; T504-F515 PolarHBondContact O-N 3.49Å; T504-F515 WeakPolarHBondContact OG1-CB 3.5Å
505F81.1Confident78.6Confident59 Ų5970.3 Ų70.326%0.25937%0.367SS..EExtended strand (participates in β ladder)trans-125.6146.1-176.7-59.4-77.8000111.2I340 I503 Q512 L513 V514 L554I340-F505 HydrophobicContact CD1-CE1 3.36Å; I340-F505 HydrophobicContact CD1-CZ 3.55Å; I340-F505 HydrophobicContact CG1-CE1 4.22Å; I340-F505 HydrophobicContact CG1-CZ 4.06Å; I503-F505 HydrophobicContact CG2-CE1 4.45Å; I503-F505 HydrophobicContact CG2-CE2 4.02Å; I503-F505 HydrophobicContact CG2-CZ 3.8Å; F505-Q512 HydrophobicContact CB-CG 4.06Å; F505-Q512 HydrophobicContact CD1-CG 3.96Å; F505-Q512 HydrophobicContact CG-CG 4.4Å; F505-L513 WeakPolarHBondContact CA-O 3.35Å; F505-V514 HydrophobicContact CD1-CB 4.47Å; F505-V514 HydrophobicContact CD1-CG1 4.32Å; F505-V514 HydrophobicContact CD1-CG2 3.98Å; F505-V514 HydrophobicContact CE1-CB 4.38Å; F505-V514 HydrophobicContact CE1-CG1 3.86Å; F505-V514 HydrophobicContact CE1-CG2 3.89Å; F505-L554 HydrophobicContact CD2-CD1 4.46Å; F505-L554 HydrophobicContact CD2-CD2 3.91Å; F505-L554 HydrophobicContact CE2-CD1 3.66Å; F505-L554 HydrophobicContact CE2-CD2 3.92Å; F505-L554 HydrophobicContact CE2-CG 4.43Å
506K81.5Confident78.7Confident135 Ų13570.2 Ų70.259%0.58737%0.366SS*.EExtended strand (participates in β ladder)trans-136.3130.2172.7-169.8175.8179.1176.80111.1L513 F515K506-L513 HydrophobicContact CB-CB 4.49Å; K506-L513 PolarHBondContact N-O 3Å; K506-L513 PolarHBondContact O-N 3.2Å; K506-F515 HydrophobicContact CB-CD2 4.44Å; K506-F515 HydrophobicContact CB-CE2 3.75Å
507Q78.1Confident79Confident140 Ų14069.1 Ų69.165%0.65436%0.364SS*.EExtended strand (participates in β ladder)trans-72.5138174.5-67.4-64.9-16.700111.1
508S78.2Confident79.2Confident44 Ų4475.2 Ų75.231%0.30840%0.397SS..EExtended strand (participates in β ladder)trans-131.7167.9174.583.60000111.1H510 G511S508-H510 PolarHBondContact O-N 3.42Å; S508-H510 VanDerWaalsContact O-N 3.13Å; S508-H510 PolarHBondContact OG-N 3.36Å; S508-G511 WeakPolarHBondContact CA-O 3.37Å; S508-G511 WeakPolarHBondContact CB-O 3.44Å; S508-G511 PolarHBondContact N-O 3.49Å; S508-G511 PolarHBondContact O-N 3.04Å; S508-G511 PolarHBondContact OG-N 2.88Å; S508-G511 PolarHBondContact OG-O 3.49Å
509A74.2Confident79.6Confident104 Ų10479.2 Ų79.286%0.8641%0.414SS*.THydrogen-bonded Turntrans-61.3-20.1176.300000113.7
510H71.2Confident80Confident188 Ų18878.5 Ų78.587%0.8741%0.412SS*.THydrogen-bonded Turntrans-107.77.1-177.5-57.1-59.8000113.2S508S508-H510 PolarHBondContact O-N 3.42Å; S508-H510 VanDerWaalsContact O-N 3.13Å; S508-H510 PolarHBondContact OG-N 3.36Å
511G73Confident80Confident35 Ų3572.5 Ų72.536%0.36139%0.386SS..EExtended strand (participates in β ladder)trans126-168.6-178.600000113.3S508S508-G511 WeakPolarHBondContact CA-O 3.37Å; S508-G511 WeakPolarHBondContact CB-O 3.44Å; S508-G511 PolarHBondContact N-O 3.49Å; S508-G511 PolarHBondContact O-N 3.04Å; S508-G511 PolarHBondContact OG-N 2.88Å; S508-G511 PolarHBondContact OG-O 3.49Å
512Q76.7Confident80Confident85 Ų8570.8 Ų70.840%0.39738%0.38SS..EExtended strand (participates in β ladder)trans-82.2128.2178.6-173.9178.164.800110.6F505F505-Q512 HydrophobicContact CB-CG 4.06Å; F505-Q512 HydrophobicContact CD1-CG 3.96Å; F505-Q512 HydrophobicContact CG-CG 4.4Å
513L83.4Confident79.9Confident53 Ų5373 Ų7328%0.27739%0.385SS..EExtended strand (participates in β ladder)trans-91.8145.6169.6-61.3175.8000109.9F505 K506 F515 T522F505-L513 WeakPolarHBondContact CA-O 3.35Å; K506-L513 HydrophobicContact CB-CB 4.49Å; K506-L513 PolarHBondContact N-O 3Å; K506-L513 PolarHBondContact O-N 3.2Å; L513-F515 HydrophobicContact CB-CE2 3.69Å; L513-F515 HydrophobicContact CB-CZ 4.31Å; L513-F515 HydrophobicContact CD1-CZ 4.48Å; L513-T522 VanDerWaalsContact CA-OG1 3.3Å; L513-T522 WeakPolarHBondContact CA-OG1 3.4Å
514V81.7Confident79.5Confident5 Ų572.9 Ų72.93%0.0339%0.388CS..EExtended strand (participates in β ladder)trans-118.7134.4-176.4-171.30000109.3L336 I340 F505 I521 T522 I525L336-V514 HydrophobicContact CD2-CG1 3.29Å; I340-V514 HydrophobicContact CD1-CG1 4.29Å; I340-V514 HydrophobicContact CD1-CG2 4.38Å; F505-V514 HydrophobicContact CD1-CB 4.47Å; F505-V514 HydrophobicContact CD1-CG1 4.32Å; F505-V514 HydrophobicContact CD1-CG2 3.98Å; F505-V514 HydrophobicContact CE1-CB 4.38Å; F505-V514 HydrophobicContact CE1-CG1 3.86Å; F505-V514 HydrophobicContact CE1-CG2 3.89Å; V514-I521 HydrophobicContact CB-CG1 4.4Å; V514-I521 HydrophobicContact CG1-CD1 4.21Å; V514-I521 HydrophobicContact CG1-CG1 4.22Å; V514-I521 VanDerWaalsContact O-CG1 3.29Å; V514-I521 WeakPolarHBondContact O-CG1 3.16Å; V514-I521 PolarHBondContact O-N 3.24Å; V514-T522 PolarHBondContact N-OG1 3.17Å; V514-I525 HydrophobicContact CB-CD1 4.05Å; V514-I525 HydrophobicContact CG1-CD1 4.22Å; V514-I525 HydrophobicContact CG2-CD1 3.73Å
515F85.1Confident78.6Confident36 Ų3670.1 Ų70.116%0.15837%0.371CS..EExtended strand (participates in β ladder)trans-126.7144.3-178.7-63.6-102000110.6I503 T504 K506 L513 E519 E520I503-F515 WeakPolarHBondContact CA-O 3.15Å; T504-F515 PolarHBondContact N-O 3.19Å; T504-F515 PolarHBondContact O-N 3.49Å; T504-F515 WeakPolarHBondContact OG1-CB 3.5Å; K506-F515 HydrophobicContact CB-CD2 4.44Å; K506-F515 HydrophobicContact CB-CE2 3.75Å; L513-F515 HydrophobicContact CB-CE2 3.69Å; L513-F515 HydrophobicContact CB-CZ 4.31Å; L513-F515 HydrophobicContact CD1-CZ 4.48Å; F515-E519 CarbonylContact C-O 3.5Å; F515-E519 WeakPolarHBondContact CA-O 3.36Å; F515-E520 HydrophobicContact CD1-CB 3.91Å; F515-E520 HydrophobicContact CD1-CG 4.41Å; F515-E520 HydrophobicContact CE1-CB 3.56Å; F515-E520 HydrophobicContact CE1-CG 3.85Å; F515-E520 HydrophobicContact CE2-CG 4.44Å; F515-E520 HydrophobicContact CZ-CB 4.1Å; F515-E520 HydrophobicContact CZ-CG 3.85Å
516A81.7Confident77.7Confident3 Ų373.8 Ų73.83%0.02538%0.383CS..EExtended strand (participates in β ladder)trans-126.2122.7166.600000109.2L332 L336 D518 E519 I521L332-A516 HydrophobicContact CD2-CB 3.51Å; L336-A516 HydrophobicContact CD1-CB 3.96Å; A516-D518 PolarHBondContact O-N 3.24Å; A516-E519 PolarHBondContact N-O 2.66Å; A516-E519 WeakPolarHBondContact O-CB 3.37Å; A516-E519 PolarHBondContact O-N 2.7Å; A516-I521 HydrophobicContact CB-CD1 3.53Å; A516-I521 HydrophobicContact CB-CG1 4.36Å
517D83.5Confident76.3Confident86 Ų8671.4 Ų71.446%0.4637%0.374SS..THydrogen-bonded Turntrans48.747.8-175.4-163.534.7000112.6Y501 P502 E519Y501-D517 HydrophobicContact CD1-CB 3.54Å; Y501-D517 HydrophobicContact CE1-CB 4.36Å; Y501-D517 HydrophobicContact CG-CB 4.24Å; P502-D517 PolarHBondContact O-N 3.46Å; D517-E519 PolarHBondContact O-N 2.67Å
518D82Confident74.8Confident142 Ų14265.3 Ų65.376%0.75935%0.347SS*.THydrogen-bonded Turntrans62.13-176.1-63-39.9000116.4A516A516-D518 PolarHBondContact O-N 3.24Å
519E84.1Confident73.4Confident109 Ų10966.1 Ų66.151%0.50935%0.347SS..EExtended strand (participates in β ladder)trans-87128.1171.4-170.9173.4178.300110.9F515 A516 D517 I521F515-E519 CarbonylContact C-O 3.5Å; F515-E519 WeakPolarHBondContact CA-O 3.36Å; A516-E519 PolarHBondContact N-O 2.66Å; A516-E519 WeakPolarHBondContact O-CB 3.37Å; A516-E519 PolarHBondContact O-N 2.7Å; D517-E519 PolarHBondContact O-N 2.67Å; E519-I521 HydrophobicContact CG-CG2 4.35Å; E519-I521 PolarHBondContact O-N 3.34Å
520E87.5Confident72.6Confident90 Ų9061.3 Ų61.342%0.42131%0.307SS..EExtended strand (participates in β ladder)trans-75.9123178.5-165.2-78.4122.200110.6F515 T522F515-E520 HydrophobicContact CD1-CB 3.91Å; F515-E520 HydrophobicContact CD1-CG 4.41Å; F515-E520 HydrophobicContact CE1-CB 3.56Å; F515-E520 HydrophobicContact CE1-CG 3.85Å; F515-E520 HydrophobicContact CE2-CG 4.44Å; F515-E520 HydrophobicContact CZ-CB 4.1Å; F515-E520 HydrophobicContact CZ-CG 3.85Å; E520-T522 WeakPolarHBondContact OE1-CA 3.41Å; E520-T522 WeakPolarHBondContact OE1-CB 3.12Å; E520-T522 PolarHBondContact OE1-N 2.94Å; E520-T522 PolarHBondContact OE1-OG1 3.29Å
521I80.7Confident71.7Confident3 Ų354.8 Ų54.82%0.01528%0.281CS..  trans-132.915.2-168.253161.3000113L329 V333 L336 V514 A516 E519 Q523 A524 I525L329-I521 HydrophobicContact CD1-CG2 4.38Å; V333-I521 HydrophobicContact CG2-CB 4.38Å; V333-I521 HydrophobicContact CG2-CD1 3.96Å; V333-I521 HydrophobicContact CG2-CG2 4.34Å; L336-I521 HydrophobicContact CD1-CD1 3.16Å; L336-I521 HydrophobicContact CD2-CD1 4.2Å; L336-I521 HydrophobicContact CG-CD1 4.22Å; V514-I521 HydrophobicContact CB-CG1 4.4Å; V514-I521 HydrophobicContact CG1-CD1 4.21Å; V514-I521 HydrophobicContact CG1-CG1 4.22Å; V514-I521 VanDerWaalsContact O-CG1 3.29Å; V514-I521 WeakPolarHBondContact O-CG1 3.16Å; V514-I521 PolarHBondContact O-N 3.24Å; A516-I521 HydrophobicContact CB-CD1 3.53Å; A516-I521 HydrophobicContact CB-CG1 4.36Å; E519-I521 HydrophobicContact CG-CG2 4.35Å; E519-I521 PolarHBondContact O-N 3.34Å; I521-Q523 PolarHBondContact O-N 3.44Å; I521-Q523 VanDerWaalsContact O-N 3.12Å; I521-A524 HydrophobicContact CB-CB 4.03Å; I521-A524 HydrophobicContact CG2-CB 4.36Å; I521-A524 CarbonylContact O-C 3.51Å; I521-A524 WeakPolarHBondContact O-CA 3.15Å; I521-A524 WeakPolarHBondContact O-CB 3.37Å; I521-A524 PolarHBondContact O-N 2.9Å; I521-I525 HydrophobicContact CB-CG2 4.43Å; I521-I525 HydrophobicContact CD1-CG2 3.72Å; I521-I525 HydrophobicContact CG1-CG2 4.17Å; I521-I525 PolarHBondContact O-N 3.42Å
522T79Confident70.4Confident7 Ų754.6 Ų54.64%0.04328%0.279CS..THydrogen-bonded Turntrans-55.6-35.2-174.8-510000113.1L513 V514 E520 I525L513-T522 VanDerWaalsContact CA-OG1 3.3Å; L513-T522 WeakPolarHBondContact CA-OG1 3.4Å; V514-T522 PolarHBondContact N-OG1 3.17Å; E520-T522 WeakPolarHBondContact OE1-CA 3.41Å; E520-T522 WeakPolarHBondContact OE1-CB 3.12Å; E520-T522 PolarHBondContact OE1-N 2.94Å; E520-T522 PolarHBondContact OE1-OG1 3.29Å; T522-I525 VanDerWaalsContact O-CG1 3.25Å; T522-I525 WeakPolarHBondContact O-CG1 3.5Å
523Q76.1Confident69.4Low117 Ų11751.4 Ų51.455%0.54727%0.267SS..THydrogen-bonded Turntrans-87.4-31.7174.7-60.4-56.1-34.100112.4I521 I525 R526 Q527I521-Q523 PolarHBondContact O-N 3.44Å; I521-Q523 VanDerWaalsContact O-N 3.12Å; Q523-I525 VanDerWaalsContact C-N 3.35Å; Q523-R526 PolarHBondContact O-N 3.36Å; Q523-R526 VanDerWaalsContact O-N 3.17Å; Q523-Q527 PolarHBondContact O-NE2 3.39Å
524A68.4Low68.3Low28 Ų2849.5 Ų49.523%0.23126%0.258CS..G310 helixtrans-62.3-42.5176.400000110.7L329 V333 I521 R526 Q527 V530L329-A524 HydrophobicContact CD2-CB 4.45Å; V333-A524 HydrophobicContact CG1-CB 4.4Å; I521-A524 HydrophobicContact CB-CB 4.03Å; I521-A524 HydrophobicContact CG2-CB 4.36Å; I521-A524 CarbonylContact O-C 3.51Å; I521-A524 WeakPolarHBondContact O-CA 3.15Å; I521-A524 WeakPolarHBondContact O-CB 3.37Å; I521-A524 PolarHBondContact O-N 2.9Å; A524-R526 PolarHBondContact O-N 3.09Å; A524-Q527 VanDerWaalsContact O-CB 3.27Å; A524-Q527 WeakPolarHBondContact O-CB 3.41Å; A524-Q527 VanDerWaalsContact O-CG 3.3Å; A524-Q527 WeakPolarHBondContact O-CG 3.49Å; A524-Q527 PolarHBondContact O-N 2.98Å; A524-V530 VanDerWaalsContact O-CG2 3.31Å; A524-V530 WeakPolarHBondContact O-CG2 3.35Å
525I63.9Low67.1Low3 Ų350.6 Ų50.62%0.01527%0.265CS..G310 helixtrans-62.9-14.5175.966.5172.5000114.6V333 L336 L337 V514 I521 T522 Q523V333-I525 HydrophobicContact CB-CG2 4.21Å; V333-I525 HydrophobicContact CG1-CB 3.72Å; V333-I525 HydrophobicContact CG1-CG2 3.3Å; V333-I525 VanDerWaalsContact CG1-N 3.33Å; V333-I525 HydrophobicContact CG2-CG2 4.41Å; L336-I525 HydrophobicContact CB-CG2 3.99Å; L336-I525 HydrophobicContact CD1-CG2 4.43Å; L336-I525 HydrophobicContact CD2-CG2 4.32Å; L336-I525 HydrophobicContact CG-CG2 4.47Å; L337-I525 WeakPolarHBondContact CD1-O 3.33Å; L337-I525 VanDerWaalsContact CD2-O 3.28Å; L337-I525 WeakPolarHBondContact CD2-O 3.41Å; L337-I525 HydrophobicContact CG-CB 4.44Å; L337-I525 WeakPolarHBondContact CG-O 3.22Å; V514-I525 HydrophobicContact CB-CD1 4.05Å; V514-I525 HydrophobicContact CG1-CD1 4.22Å; V514-I525 HydrophobicContact CG2-CD1 3.73Å; I521-I525 HydrophobicContact CB-CG2 4.43Å; I521-I525 HydrophobicContact CD1-CG2 3.72Å; I521-I525 HydrophobicContact CG1-CG2 4.17Å; I521-I525 PolarHBondContact O-N 3.42Å; T522-I525 VanDerWaalsContact O-CG1 3.25Å; T522-I525 WeakPolarHBondContact O-CG1 3.5Å; Q523-I525 VanDerWaalsContact C-N 3.35Å
526R61.6Low66Low136 Ų13653.9 Ų53.951%0.51328%0.281SS..G310 helixtrans-100.31177.3-59179.4-175.71780.3111.8Q523 A524 P528Q523-R526 PolarHBondContact O-N 3.36Å; Q523-R526 VanDerWaalsContact O-N 3.17Å; A524-R526 PolarHBondContact O-N 3.09Å; R526-P528 VanDerWaalsContact O-CD 3.31Å; R526-P528 WeakPolarHBondContact O-CD 3.11Å
527Q52.3Low65.2Low86 Ų8654.1 Ų54.140%0.40228%0.282SS..SBendtrans-70.8128.2173-59-52.4-56.500108.4Q523 A524 D529 V530 T531Q523-Q527 PolarHBondContact O-NE2 3.39Å; A524-Q527 VanDerWaalsContact O-CB 3.27Å; A524-Q527 WeakPolarHBondContact O-CB 3.41Å; A524-Q527 VanDerWaalsContact O-CG 3.3Å; A524-Q527 WeakPolarHBondContact O-CG 3.49Å; A524-Q527 PolarHBondContact O-N 2.98Å; Q527-D529 WeakPolarHBondContact CB-OD1 2.89Å; Q527-D529 PolarHBondContact O-N 3.08Å; Q527-D529 VanDerWaalsContact O-N 3.09Å; Q527-V530 HydrophobicContact CB-CG2 4.2Å; Q527-V530 WeakPolarHBondContact O-CA 3.11Å; Q527-V530 WeakPolarHBondContact O-CB 3.43Å; Q527-V530 VanDerWaalsContact O-CG2 3.3Å; Q527-V530 WeakPolarHBondContact O-CG2 3.28Å; Q527-V530 PolarHBondContact O-N 3.2Å; Q527-T531 PolarHBondContact O-N 2.94Å
528P47.3Very low64.4Low12 Ų1251.9 Ų51.98%0.07827%0.274CS..Hα-helixtrans-69.7-8.1-170.4-15.516.6000116.2Q210 P211 R526 T531 G532Q210-P528 HydrophobicContact CB-CB 3.9Å; Q210-P528 HydrophobicContact CB-CG 3.23Å; Q210-P528 HydrophobicContact CG-CG 3.53Å; P211-P528 VanDerWaalsContact CB-C 3.41Å; P211-P528 HydrophobicContact CB-CB 4.08Å; P211-P528 VanDerWaalsContact CD-CD 3.42Å; P211-P528 HydrophobicContact CG-CB 4.17Å; R526-P528 VanDerWaalsContact O-CD 3.31Å; R526-P528 WeakPolarHBondContact O-CD 3.11Å; P528-T531 PolarHBondContact O-N 3.37Å; P528-G532 PolarHBondContact O-N 2.95Å
529D48.7Very low63.5Low60 Ų6048.9 Ų48.932%0.32127%0.268SS..Hα-helixtrans-67.5-36.6171.253.4-36.3000108.1P211 T330 Q527 A533P211-D529 HydrophobicContact CB-CB 3.68Å; P211-D529 HydrophobicContact CG-CB 3.53Å; T330-D529 VanDerWaalsContact CG2-C 3.46Å; T330-D529 HydrophobicContact CG2-CB 3.75Å; T330-D529 WeakPolarHBondContact CG2-OD2 3.1Å; T330-D529 PolarHBondContact OG1-OD2 2.95Å; Q527-D529 WeakPolarHBondContact CB-OD1 2.89Å; Q527-D529 PolarHBondContact O-N 3.08Å; Q527-D529 VanDerWaalsContact O-N 3.09Å; D529-A533 WeakPolarHBondContact O-CB 3.3Å; D529-A533 PolarHBondContact O-N 2.68Å
530V57Low62.9Low3 Ų346.7 Ų46.72%0.01826%0.258CS..Hα-helixtrans-61.4-55.7167.2-171.40000110.2T330 V333 A334 L337 A524 Q527 G532 A533 V534T330-V530 HydrophobicContact CG2-CG2 4.11Å; V333-V530 HydrophobicContact CB-CG1 4.05Å; V333-V530 HydrophobicContact CB-CG2 4.09Å; V333-V530 HydrophobicContact CG1-CB 4.11Å; V333-V530 HydrophobicContact CG1-CG1 3.53Å; V333-V530 HydrophobicContact CG1-CG2 3.42Å; V333-V530 VanDerWaalsContact CG1-CG2 3.42Å; V333-V530 WeakPolarHBondContact O-CG1 3.25Å; A334-V530 VanDerWaalsContact CA-CG1 3.41Å; A334-V530 HydrophobicContact CB-CG1 3.97Å; A334-V530 VanDerWaalsContact N-CG1 3.29Å; L337-V530 HydrophobicContact CB-CG1 4.48Å; L337-V530 HydrophobicContact CD1-CB 4.12Å; L337-V530 HydrophobicContact CD1-CG1 3.61Å; L337-V530 HydrophobicContact CG-CG1 3.97Å; A524-V530 VanDerWaalsContact O-CG2 3.31Å; A524-V530 WeakPolarHBondContact O-CG2 3.35Å; Q527-V530 HydrophobicContact CB-CG2 4.2Å; Q527-V530 WeakPolarHBondContact O-CA 3.11Å; Q527-V530 WeakPolarHBondContact O-CB 3.43Å; Q527-V530 VanDerWaalsContact O-CG2 3.3Å; Q527-V530 WeakPolarHBondContact O-CG2 3.28Å; Q527-V530 PolarHBondContact O-N 3.2Å; V530-G532 VanDerWaalsContact C-N 3.3Å; V530-G532 PolarHBondContact O-N 3.26Å; V530-A533 PolarHBondContact O-N 2.83Å; V530-A533 VanDerWaalsContact O-N 3.09Å; V530-V534 VanDerWaalsContact O-CG2 3.27Å; V530-V534 WeakPolarHBondContact O-CG2 3.28Å; V530-V534 PolarHBondContact O-N 2.92Å; V530-V534 VanDerWaalsContact O-N 3.17Å
531T51.9Low62.5Low52 Ų5244.2 Ų44.232%0.31926%0.257SS..Hα-helixtrans-57.5-41.8-177.2-51.70000112.1L337 Q527 P528 A533 V534L337-T531 WeakPolarHBondContact CD1-OG1 3.5Å; Q527-T531 PolarHBondContact O-N 2.94Å; P528-T531 PolarHBondContact O-N 3.37Å; T531-A533 VanDerWaalsContact C-N 3.34Å; T531-A533 PolarHBondContact O-N 3.02Å; T531-V534 WeakPolarHBondContact O-CB 3.38Å; T531-V534 PolarHBondContact O-N 3.29Å
532G46.6Very low62.5Low30 Ų3047.6 Ų47.631%0.30927%0.271SS..Hα-helixtrans-67.1-32.1178.100000113.6P528 V530P528-G532 PolarHBondContact O-N 2.95Å; V530-G532 VanDerWaalsContact C-N 3.3Å; V530-G532 PolarHBondContact O-N 3.26Å
533A55.2Low62.5Low18 Ų1847.3 Ų47.315%0.14927%0.269CS..Hα-helixtrans-80.2-16.9177.800000113.4A334 D529 V530 T531 S535 E536 V537A334-A533 HydrophobicContact CB-CB 3.83Å; D529-A533 WeakPolarHBondContact O-CB 3.3Å; D529-A533 PolarHBondContact O-N 2.68Å; V530-A533 PolarHBondContact O-N 2.83Å; V530-A533 VanDerWaalsContact O-N 3.09Å; T531-A533 VanDerWaalsContact C-N 3.34Å; T531-A533 PolarHBondContact O-N 3.02Å; A533-S535 PolarHBondContact O-N 3.34Å; A533-E536 PolarHBondContact O-N 3.38Å; A533-V537 HydrophobicContact CB-CG2 4.47Å; A533-V537 WeakPolarHBondContact O-CB 3.04Å; A533-V537 VanDerWaalsContact O-CG2 3.28Å; A533-V537 WeakPolarHBondContact O-CG2 3.46Å; A533-V537 PolarHBondContact O-N 2.86Å
534V60.9Low62.7Low14 Ų1444.6 Ų44.69%0.08525%0.254CS..Hα-helixtrans-56.8-47.3-176.1178.80000112.1A334 L337 A338 V530 T531 E536 S538A334-V534 HydrophobicContact CB-CG2 4.42Å; L337-V534 HydrophobicContact CB-CG2 3.44Å; L337-V534 VanDerWaalsContact CB-CG2 3.44Å; L337-V534 HydrophobicContact CD1-CG2 3.81Å; L337-V534 HydrophobicContact CG-CG2 4.32Å; A338-V534 HydrophobicContact CB-CG1 3.96Å; V530-V534 VanDerWaalsContact O-CG2 3.27Å; V530-V534 WeakPolarHBondContact O-CG2 3.28Å; V530-V534 PolarHBondContact O-N 2.92Å; V530-V534 VanDerWaalsContact O-N 3.17Å; T531-V534 WeakPolarHBondContact O-CB 3.38Å; T531-V534 PolarHBondContact O-N 3.29Å; V534-E536 PolarHBondContact O-N 3.17Å; V534-S538 WeakPolarHBondContact O-CB 3.09Å; V534-S538 PolarHBondContact O-N 2.89Å; V534-S538 PolarHBondContact O-OG 3.05Å
535S56.4Low63.4Low28 Ų2850.1 Ų50.120%0.19628%0.275CS..Hα-helixtrans-65.1-43-174-1690000111.8T113 A533 A539T113-S535 WeakPolarHBondContact O-CB 3.29Å; T113-S535 PolarHBondContact O-OG 3.16Å; A533-S535 PolarHBondContact O-N 3.34Å; S535-A539 WeakPolarHBondContact O-CB 2.78Å; S535-A539 PolarHBondContact O-N 2.73Å
536E60.5Low64.3Low104 Ų10452.3 Ų52.349%0.48629%0.285SS..Hα-helixtrans-65.6-52.1176.8-177177.8-176.200111.3A533 V534 S538 A539 H540A533-E536 PolarHBondContact O-N 3.38Å; V534-E536 PolarHBondContact O-N 3.17Å; E536-S538 PolarHBondContact O-N 3.45Å; E536-A539 PolarHBondContact O-N 2.94Å; E536-H540 PolarHBondContact O-CD2 2.99Å
537V66.4Low65.2Low9 Ų946 Ų466%0.05526%0.262CS..Hα-helixtrans-66.8-38.5-176.9176.30000111.7L335 A533 A539 H540 V543L335-V537 HydrophobicContact CD2-CG1 3.44Å; L335-V537 VanDerWaalsContact CD2-CG1 3.44Å; L335-V537 HydrophobicContact CG-CG1 3.79Å; A533-V537 HydrophobicContact CB-CG2 4.47Å; A533-V537 WeakPolarHBondContact O-CB 3.04Å; A533-V537 VanDerWaalsContact O-CG2 3.28Å; A533-V537 WeakPolarHBondContact O-CG2 3.46Å; A533-V537 PolarHBondContact O-N 2.86Å; V537-A539 VanDerWaalsContact C-N 3.33Å; V537-A539 PolarHBondContact O-N 2.73Å; V537-H540 PolarHBondContact O-N 3.01Å; V537-V543 HydrophobicContact CG1-CG1 4.16Å; V537-V543 WeakPolarHBondContact O-CG1 3.32Å
538S66.4Low66.8Low39 Ų3942.5 Ų42.527%0.27325%0.246SC..Hα-helixtrans-78-14.2-179.268.70000114.4V534 E536 H540V534-S538 WeakPolarHBondContact O-CB 3.09Å; V534-S538 PolarHBondContact O-N 2.89Å; V534-S538 PolarHBondContact O-OG 3.05Å; E536-S538 PolarHBondContact O-N 3.45Å; S538-H540 VanDerWaalsContact C-N 3.25Å; S538-H540 PolarHBondContact O-N 3.2Å
539A63.1Low68.6Low79 Ų7946.3 Ų46.365%0.65326%0.263SS*.Hα-helixtrans-72.2-20.2174.300000112.7S535 E536 V537S535-A539 WeakPolarHBondContact O-CB 2.78Å; S535-A539 PolarHBondContact O-N 2.73Å; E536-A539 PolarHBondContact O-N 2.94Å; V537-A539 VanDerWaalsContact C-N 3.33Å; V537-A539 PolarHBondContact O-N 2.73Å
540H71.9Confident70.2Confident63 Ų6345 Ų4529%0.29226%0.261SS..SBendtrans-69.3128.4176.5-74.5-74.8000111.8E491 E536 V537 S538 V543 R544E491-H540 HydrophobicContact CG-CB 4.12Å; E536-H540 PolarHBondContact O-CD2 2.99Å; V537-H540 PolarHBondContact O-N 3.01Å; S538-H540 VanDerWaalsContact C-N 3.25Å; S538-H540 PolarHBondContact O-N 3.2Å; H540-V543 HydrophobicContact CB-CB 3.9Å; H540-V543 HydrophobicContact CB-CG2 3.76Å; H540-V543 PolarHBondContact O-N 2.86Å; H540-R544 WeakPolarHBondContact O-CB 3.25Å; H540-R544 PolarHBondContact O-N 3.4Å
541G79Confident71.5Confident38 Ų3845.2 Ų45.239%0.39226%0.261SS..Hα-helixtrans-62.1-49.8-174.600000112.8E491 V543 R544 E545E491-G541 PolarHBondContact OE1-N 3.35Å; G541-V543 VanDerWaalsContact C-N 3.32Å; G541-V543 PolarHBondContact O-N 3.28Å; G541-R544 WeakPolarHBondContact O-CB 3.08Å; G541-R544 PolarHBondContact O-N 2.66Å; G541-E545 WeakPolarHBondContact O-CG 3.26Å; G541-E545 PolarHBondContact O-N 3.07Å
542K80.3Confident73.3Confident74 Ų7448 Ų4832%0.32227%0.266SS..Hα-helixtrans-63.5-38.7178.9-64.7-179.3-172.6167.10112.3E491 D492 A495 E545 E546E491-K542 HydrophobicContact CG-CB 3.87Å; E491-K542 HydrophobicContact CG-CD 3.93Å; E491-K542 HydrophobicContact CG-CG 3.98Å; E491-K542 PolarHBondContact OE1-N 3.15Å; D492-K542 WeakPolarHBondContact OD1-CD 3.22Å; D492-K542 IonicContact OD1-NZ 2.64Å; D492-K542 PolarHBondContact OD1-NZ 3.45Å; D492-K542 IonicContact OD2-NZ 2.61Å; D492-K542 PolarHBondContact OD2-NZ 3.5Å; A495-K542 HydrophobicContact CB-CB 4.05Å; K542-E545 PolarHBondContact O-N 3.36Å; K542-E546 WeakPolarHBondContact O-CG 3.44Å; K542-E546 PolarHBondContact O-N 2.96Å; K542-E546 VanDerWaalsContact O-N 3.08Å
543V78.6Confident75.1Confident0 Ų051.8 Ų51.80%027%0.274CS..Hα-helixtrans-60.8-49.5174.6171.30000109.9L335 L494 V537 H540 G541 E545 E546 L547L335-V543 HydrophobicContact CD2-CB 4.43Å; L335-V543 HydrophobicContact CD2-CG1 3.15Å; L494-V543 HydrophobicContact CB-CG2 3.61Å; L494-V543 HydrophobicContact CD1-CG2 4.48Å; V537-V543 HydrophobicContact CG1-CG1 4.16Å; V537-V543 WeakPolarHBondContact O-CG1 3.32Å; H540-V543 HydrophobicContact CB-CB 3.9Å; H540-V543 HydrophobicContact CB-CG2 3.76Å; H540-V543 PolarHBondContact O-N 2.86Å; G541-V543 VanDerWaalsContact C-N 3.32Å; G541-V543 PolarHBondContact O-N 3.28Å; V543-E545 VanDerWaalsContact C-N 3.31Å; V543-E545 PolarHBondContact O-N 3.02Å; V543-E546 PolarHBondContact O-N 3.48Å; V543-L547 HydrophobicContact CG1-CD1 3.94Å; V543-L547 HydrophobicContact CG1-CG 4.17Å; V543-L547 VanDerWaalsContact O-CG 3.28Å; V543-L547 WeakPolarHBondContact O-CG 3.49Å; V543-L547 PolarHBondContact O-N 2.91Å
544R80.5Confident76.3Confident61 Ų6153 Ų5323%0.2328%0.278CS..Hα-helixtrans-58.6-42.7178.5-177.161.8176.3159.9-0.6111.9H540 G541 L547 V548 D566H540-R544 WeakPolarHBondContact O-CB 3.25Å; H540-R544 PolarHBondContact O-N 3.4Å; G541-R544 WeakPolarHBondContact O-CB 3.08Å; G541-R544 PolarHBondContact O-N 2.66Å; R544-L547 PolarHBondContact O-N 2.89Å; R544-V548 HydrophobicContact CG-CG2 4.48Å; R544-V548 WeakPolarHBondContact O-CB 3.34Å; R544-V548 VanDerWaalsContact O-CG2 3.26Å; R544-V548 WeakPolarHBondContact O-CG2 3.11Å; R544-V548 PolarHBondContact O-N 3.26Å; R544-D566 IonicContact CZ-OD2 2.83Å; R544-D566 VanDerWaalsContact NH2-CG 3.31Å; R544-D566 IonicContact NH2-OD1 2.76Å; R544-D566 PolarHBondContact NH2-OD1 3.49Å; R544-D566 IonicContact NH2-OD2 3.24Å; R544-D566 PolarHBondContact NH2-OD2 3.34Å
545E83.3Confident77.3Confident143 Ų14353.2 Ų53.267%0.66828%0.281SS*.Hα-helixtrans-58.3-49.8176.6-74.1176.5-177.500111.9G541 K542 V543 V548 E549G541-E545 WeakPolarHBondContact O-CG 3.26Å; G541-E545 PolarHBondContact O-N 3.07Å; K542-E545 PolarHBondContact O-N 3.36Å; V543-E545 VanDerWaalsContact C-N 3.31Å; V543-E545 PolarHBondContact O-N 3.02Å; E545-V548 PolarHBondContact O-N 3.34Å; E545-E549 PolarHBondContact O-N 3.08Å
546E81.8Confident78.5Confident50 Ų5059.4 Ų59.423%0.23431%0.306CS..Hα-helixtrans-63.8-42.3179-68.9-71.8171.900112.1A495 K499 K542 V543 E549 A550A495-E546 HydrophobicContact CB-CG 4.38Å; K499-E546 VanDerWaalsContact CE-CD 3.41Å; K499-E546 WeakPolarHBondContact CE-OE1 3.37Å; K499-E546 IonicContact NZ-OE1 3.52Å; K499-E546 PolarHBondContact NZ-OE1 3.09Å; K542-E546 WeakPolarHBondContact O-CG 3.44Å; K542-E546 PolarHBondContact O-N 2.96Å; K542-E546 VanDerWaalsContact O-N 3.08Å; V543-E546 PolarHBondContact O-N 3.48Å; E546-E549 PolarHBondContact O-N 3.36Å; E546-A550 PolarHBondContact O-N 3.19Å
547L81.6Confident79.1Confident3 Ų360.4 Ų60.42%0.01632%0.32CS..Hα-helixtrans-65.3-41.6178.2-66.3-174.6000112.1L335 A338 L339 T498 V543 R544 E549 A550 Q551L335-L547 HydrophobicContact CB-CD2 4.22Å; L335-L547 HydrophobicContact CD2-CD1 4.09Å; L335-L547 HydrophobicContact CD2-CD2 4.18Å; L335-L547 HydrophobicContact CD2-CG 4.37Å; A338-L547 HydrophobicContact CB-CD1 3.71Å; L339-L547 HydrophobicContact CD1-CD2 3.71Å; T498-L547 HydrophobicContact CG2-CD2 4.05Å; V543-L547 HydrophobicContact CG1-CD1 3.94Å; V543-L547 HydrophobicContact CG1-CG 4.17Å; V543-L547 VanDerWaalsContact O-CG 3.28Å; V543-L547 WeakPolarHBondContact O-CG 3.49Å; V543-L547 PolarHBondContact O-N 2.91Å; R544-L547 PolarHBondContact O-N 2.89Å; L547-E549 VanDerWaalsContact C-N 3.31Å; L547-E549 PolarHBondContact O-N 3.09Å; L547-A550 PolarHBondContact O-N 3.31Å; L547-Q551 WeakPolarHBondContact O-CG 3.34Å; L547-Q551 PolarHBondContact O-N 3.15Å
548V84.8Confident79.5Confident13 Ų1361 Ų618%0.07933%0.328CS..Hα-helixtrans-63.4-39.3175.31680000110.7R544 E545 Q551 R552 V571R544-V548 HydrophobicContact CG-CG2 4.48Å; R544-V548 WeakPolarHBondContact O-CB 3.34Å; R544-V548 VanDerWaalsContact O-CG2 3.26Å; R544-V548 WeakPolarHBondContact O-CG2 3.11Å; R544-V548 PolarHBondContact O-N 3.26Å; E545-V548 PolarHBondContact O-N 3.34Å; V548-Q551 PolarHBondContact O-N 2.64Å; V548-R552 WeakPolarHBondContact O-CB 3.34Å; V548-R552 VanDerWaalsContact O-CG 3.28Å; V548-R552 WeakPolarHBondContact O-CG 3.48Å; V548-R552 PolarHBondContact O-N 3.17Å; V548-V571 HydrophobicContact CG1-CG1 4.49Å; V548-V571 HydrophobicContact CG2-CG2 4.38Å
549E86.2Confident79.8Confident92 Ų9260.9 Ų60.943%0.4333%0.332SS..Hα-helixtrans-63.8-42.9174.4-167.5-179.3150.100111.8E545 E546 L547 R552 K553E545-E549 PolarHBondContact O-N 3.08Å; E546-E549 PolarHBondContact O-N 3.36Å; L547-E549 VanDerWaalsContact C-N 3.31Å; L547-E549 PolarHBondContact O-N 3.09Å; E549-R552 PolarHBondContact O-N 3.15Å; E549-K553 WeakPolarHBondContact O-CG 3.45Å; E549-K553 PolarHBondContact O-N 3.36Å; E549-K553 WeakPolarHBondContact OE1-CE 3.32Å; E549-K553 IonicContact OE1-NZ 2.89Å; E549-K553 PolarHBondContact OE1-NZ 3.23Å
550A82.3Confident80.4Confident33 Ų3359.1 Ų59.127%0.27331%0.313SS..Hα-helixtrans-61.5-44.9175.400000112.1L339 E546 L547 R552 K553 L554L339-A550 HydrophobicContact CD1-CB 4.42Å; E546-A550 PolarHBondContact O-N 3.19Å; L547-A550 PolarHBondContact O-N 3.31Å; A550-R552 VanDerWaalsContact C-N 3.34Å; A550-R552 PolarHBondContact O-N 3.4Å; A550-K553 PolarHBondContact O-N 2.67Å; A550-L554 WeakPolarHBondContact O-CG 3.4Å; A550-L554 PolarHBondContact O-N 3.45Å
551Q84.4Confident80.6Confident7 Ų759.3 Ų59.33%0.03332%0.319CS..Hα-helixtrans-58-45.4174.2-74.8173.2-35.200111.8L339 L547 V548 K553 L554 A555 M562 V571L339-Q551 HydrophobicContact CD2-CB 4.4Å; L339-Q551 HydrophobicContact CD2-CG 3.22Å; L339-Q551 HydrophobicContact CG-CG 3.78Å; L339-Q551 PolarHBondContact O-NE2 2.93Å; L547-Q551 WeakPolarHBondContact O-CG 3.34Å; L547-Q551 PolarHBondContact O-N 3.15Å; V548-Q551 PolarHBondContact O-N 2.64Å; Q551-K553 PolarHBondContact O-N 3.21Å; Q551-L554 PolarHBondContact O-N 2.96Å; Q551-A555 PolarHBondContact O-N 3.24Å; Q551-M562 WeakPolarHBondContact O-CE 3.04Å; Q551-V571 HydrophobicContact CB-CG1 3.58Å; Q551-V571 HydrophobicContact CG-CG1 4.33Å
552R88.6Confident80.6Confident109 Ų10959 Ų5941%0.41131%0.308SS..Hα-helixtrans-62.5-41.5177-74.5170.4176.9169.13.6112V548 E549 A550 A555 Q556 T570 V571 L572V548-R552 WeakPolarHBondContact O-CB 3.34Å; V548-R552 VanDerWaalsContact O-CG 3.28Å; V548-R552 WeakPolarHBondContact O-CG 3.48Å; V548-R552 PolarHBondContact O-N 3.17Å; E549-R552 PolarHBondContact O-N 3.15Å; A550-R552 VanDerWaalsContact C-N 3.34Å; A550-R552 PolarHBondContact O-N 3.4Å; R552-A555 PolarHBondContact O-N 2.79Å; R552-Q556 WeakPolarHBondContact O-CG 3.36Å; R552-Q556 PolarHBondContact O-N 2.67Å; R552-Q556 VanDerWaalsContact O-N 3.15Å; R552-T570 PolarHBondContact NH2-O 3.44Å; R552-V571 WeakPolarHBondContact CG-O 3.44Å; R552-V571 PolarHBondContact NE-O 2.86Å; R552-L572 HydrophobicContact CG-CD2 4.05Å
553K85.1Confident80.2Confident111 Ų11158.8 Ų58.848%0.48331%0.31SS..Hα-helixtrans-62.6-42.8175.2-74.4170.9-176.71610111.9E549 A550 Q551 A555 Q556E549-K553 WeakPolarHBondContact O-CG 3.45Å; E549-K553 PolarHBondContact O-N 3.36Å; E549-K553 WeakPolarHBondContact OE1-CE 3.32Å; E549-K553 IonicContact OE1-NZ 2.89Å; E549-K553 PolarHBondContact OE1-NZ 3.23Å; A550-K553 PolarHBondContact O-N 2.67Å; Q551-K553 PolarHBondContact O-N 3.21Å; K553-A555 VanDerWaalsContact C-N 3.33Å; K553-A555 PolarHBondContact O-N 3.25Å; K553-Q556 WeakPolarHBondContact O-CB 3.49Å; K553-Q556 PolarHBondContact O-N 3.13Å
554L79.9Confident79.8Confident44 Ų4459.9 Ų59.923%0.2332%0.322CS..Hα-helixtrans-62.2-41.8176.1-72.3162.1000111.7L339 F505 A550 Q551 Q556 V557 M562L339-L554 HydrophobicContact CD2-CD1 3.99Å; F505-L554 HydrophobicContact CD2-CD1 4.46Å; F505-L554 HydrophobicContact CD2-CD2 3.91Å; F505-L554 HydrophobicContact CE2-CD1 3.66Å; F505-L554 HydrophobicContact CE2-CD2 3.92Å; F505-L554 HydrophobicContact CE2-CG 4.43Å; A550-L554 WeakPolarHBondContact O-CG 3.4Å; A550-L554 PolarHBondContact O-N 3.45Å; Q551-L554 PolarHBondContact O-N 2.96Å; L554-Q556 VanDerWaalsContact C-N 3.29Å; L554-Q556 PolarHBondContact O-N 3.44Å; L554-V557 PolarHBondContact O-N 3.47Å; L554-M562 HydrophobicContact CB-CE 4.22Å
555A81.6Confident79.4Confident17 Ų1761.7 Ų61.714%0.1433%0.328CS..Hα-helixtrans-65.1-29.7178.100000113.3Q551 R552 K553 V557 G558 M562 L572Q551-A555 PolarHBondContact O-N 3.24Å; R552-A555 PolarHBondContact O-N 2.79Å; K553-A555 VanDerWaalsContact C-N 3.33Å; K553-A555 PolarHBondContact O-N 3.25Å; A555-V557 PolarHBondContact O-N 3.18Å; A555-G558 PolarHBondContact O-N 2.89Å; A555-G558 VanDerWaalsContact O-N 3.11Å; A555-M562 HydrophobicContact CB-CE 4.05Å; A555-L572 HydrophobicContact CB-CD1 3.75Å; A555-L572 HydrophobicContact CB-CD2 3.59Å; A555-L572 HydrophobicContact CB-CG 4.34Å
556Q82Confident79.1Confident158 Ų15855.7 Ų55.774%0.73830%0.301SS*.Hα-helixtrans-63.4-22.9179.1-75.1170.88.700113.9R552 K553 L554 G558R552-Q556 WeakPolarHBondContact O-CG 3.36Å; R552-Q556 PolarHBondContact O-N 2.67Å; R552-Q556 VanDerWaalsContact O-N 3.15Å; K553-Q556 WeakPolarHBondContact O-CB 3.49Å; K553-Q556 PolarHBondContact O-N 3.13Å; L554-Q556 VanDerWaalsContact C-N 3.29Å; L554-Q556 PolarHBondContact O-N 3.44Å; Q556-G558 PolarHBondContact O-N 3.48Å
557V73.7Confident79.2Confident126 Ų12654.1 Ų54.176%0.76429%0.294SS*.THydrogen-bonded Turntrans-67.1-21177-176.30000111.5L554 A555L554-V557 PolarHBondContact O-N 3.47Å; A555-V557 PolarHBondContact O-N 3.18Å
558G73.8Confident79.4Confident22 Ų2254.6 Ų54.623%0.22730%0.299CS..SBendtrans78.8158.7-173.700000112.4A555 Q556A555-G558 PolarHBondContact O-N 2.89Å; A555-G558 VanDerWaalsContact O-N 3.11Å; Q556-G558 PolarHBondContact O-N 3.48Å
559G74Confident79.4Confident35 Ų3556.4 Ų56.436%0.36131%0.31SS..  trans79.42817300000114.7T351T351-G559 WeakPolarHBondContact OG1-CA 3.3Å; T351-G559 PolarHBondContact OG1-N 3.12Å
560V74.8Confident79.2Confident43 Ų4354.9 Ų54.926%0.26131%0.308SS..  trans-113.7104.2-171-1720000112.7W349 M562W349-V560 WeakPolarHBondContact CB-O 3.24Å; W349-V560 HydrophobicContact CE3-CB 4.3Å; W349-V560 VanDerWaalsContact CE3-O 3.24Å; W349-V560 HydrophobicContact CZ3-CB 4.49Å; V560-M562 HydrophobicContact CG1-CE 3.61Å; V560-M562 HydrophobicContact CG1-CG 3.73Å; V560-M562 PolarHBondContact O-N 3.21Å
561V77.3Confident79.3Confident67 Ų6753.4 Ų53.441%0.40630%0.295SS..  trans-62.4125.4161.4-177.90000109.7F347 W349F347-V561 VanDerWaalsContact C-CG1 3.46Å; F347-V561 WeakPolarHBondContact O-CG1 3.17Å; W349-V561 WeakPolarHBondContact O-CG2 3.46Å; W349-V561 PolarHBondContact O-N 3.4Å
562M78.2Confident79.5Confident32 Ų3254.5 Ų54.516%0.15830%0.301CS..  trans-126.8133.1167.4-65.2-163.7178.200110.9F347 Q551 L554 A555 V560 I567 L572F347-M562 WeakPolarHBondContact CB-O 3.41Å; F347-M562 WeakPolarHBondContact CG-O 3.45Å; Q551-M562 WeakPolarHBondContact O-CE 3.04Å; L554-M562 HydrophobicContact CB-CE 4.22Å; A555-M562 HydrophobicContact CB-CE 4.05Å; V560-M562 HydrophobicContact CG1-CE 3.61Å; V560-M562 HydrophobicContact CG1-CG 3.73Å; V560-M562 PolarHBondContact O-N 3.21Å; M562-I567 HydrophobicContact CB-CG2 3.93Å; M562-L572 HydrophobicContact CG-CD1 4.49Å; M562-L572 HydrophobicContact SD-CD1 3.68Å
563D71.9Confident79.5Confident68 Ų6851.7 Ų51.736%0.36430%0.297SS..  trans-117.6135.4177.3-172.8-13.8000109.5G345 A346 F347G345-D563 VanDerWaalsContact C-OD2 3.29Å; A346-D563 VanDerWaalsContact CA-OD2 3.32Å; A346-D563 WeakPolarHBondContact CA-OD2 3.41Å; A346-D563 PolarHBondContact N-OD2 3.06Å; F347-D563 HydrophobicContact CB-CB 3.79Å; F347-D563 HydrophobicContact CD2-CB 4Å; F347-D563 WeakPolarHBondContact CD2-OD1 3.39Å; F347-D563 HydrophobicContact CG-CB 4.27Å; F347-D563 PolarHBondContact N-OD2 3.5Å
564G70.4Confident79.7Confident24 Ų2454.7 Ų54.725%0.24731%0.313CS..  trans166.1161.2174.300000112.8D566G564-D566 VanDerWaalsContact C-N 3.32Å; G564-D566 PolarHBondContact O-N 3.36Å
565R71.7Confident80.1Confident99 Ų9954.1 Ų54.137%0.37431%0.314SS..THydrogen-bonded Turntrans-59.2-37.7-173-65.6-178.4-69-174.2-2.4114L627R565-L627 HydrophobicContact CB-CD1 4.31Å; R565-L627 HydrophobicContact CG-CD1 4.33Å
566D76.4Confident80.4Confident17 Ų1758.2 Ų58.29%0.09133%0.33CS..THydrogen-bonded Turntrans-121.417.6-172.966.8-11000113.7R544 G564 T569 T570 V571 S625R544-D566 IonicContact CZ-OD2 2.83Å; R544-D566 VanDerWaalsContact NH2-CG 3.31Å; R544-D566 IonicContact NH2-OD1 2.76Å; R544-D566 PolarHBondContact NH2-OD1 3.49Å; R544-D566 IonicContact NH2-OD2 3.24Å; R544-D566 PolarHBondContact NH2-OD2 3.34Å; G564-D566 VanDerWaalsContact C-N 3.32Å; G564-D566 PolarHBondContact O-N 3.36Å; D566-T569 WeakPolarHBondContact CA-OG1 3.34Å; D566-T569 PolarHBondContact O-N 3.32Å; D566-T569 PolarHBondContact O-OG1 2.97Å; D566-T570 WeakPolarHBondContact O-CA 3.47Å; D566-T570 WeakPolarHBondContact O-CB 3.45Å; D566-T570 PolarHBondContact O-N 3.38Å; D566-V571 PolarHBondContact O-N 3.32Å; D566-S625 VanDerWaalsContact OD2-CB 3.32Å; D566-S625 WeakPolarHBondContact OD2-CB 3.36Å; D566-S625 PolarHBondContact OD2-OG 2.86Å
567I85.4Confident80.8Confident16 Ų1651.5 Ų51.58%0.08230%0.3CS..Iπ-helixtrans-61.8-51.2179.5-63.7-61.4000110.8M562 T569 V571 L572M562-I567 HydrophobicContact CB-CG2 3.93Å; I567-T569 VanDerWaalsContact C-N 3.33Å; I567-T569 PolarHBondContact O-N 3.43Å; I567-V571 HydrophobicContact CD1-CB 4.15Å; I567-V571 HydrophobicContact CD1-CG1 4.47Å; I567-V571 HydrophobicContact CD1-CG2 3.97Å; I567-V571 PolarHBondContact O-N 3.34Å; I567-L572 HydrophobicContact CG2-CD1 4.29Å; I567-L572 CarbonylContact O-C 3.59Å; I567-L572 WeakPolarHBondContact O-CA 3.43Å; I567-L572 PolarHBondContact O-N 3.39Å
568G84.7Confident81.7Confident13 Ų1346.2 Ų46.213%0.13427%0.267CS..Iπ-helixtrans-75-18.1-176.600000115K578G568-K578 WeakPolarHBondContact O-CE 3.28Å; G568-K578 PolarHBondContact O-NZ 3.03Å
569T84.7Confident82.4Confident51 Ų5145.5 Ų45.531%0.31326%0.258SS..Iπ-helixtrans-101.2-40.5-176.452.60000112.7D566 I567 I628 A630D566-T569 WeakPolarHBondContact CA-OG1 3.34Å; D566-T569 PolarHBondContact O-N 3.32Å; D566-T569 PolarHBondContact O-OG1 2.97Å; I567-T569 VanDerWaalsContact C-N 3.33Å; I567-T569 PolarHBondContact O-N 3.43Å; T569-I628 WeakPolarHBondContact CG2-O 3Å; T569-A630 HydrophobicContact CG2-CB 3.91Å
570T83.4Confident83.2Confident61 Ų6145.6 Ų45.637%0.37425%0.248SC..Iπ-helixtrans-115.3-51.3-170.4-55.70000112.3R552 D566R552-T570 PolarHBondContact NH2-O 3.44Å; D566-T570 WeakPolarHBondContact O-CA 3.47Å; D566-T570 WeakPolarHBondContact O-CB 3.45Å; D566-T570 PolarHBondContact O-N 3.38Å
571V84.3Confident83.8Confident1 Ų145.4 Ų45.41%0.00625%0.246CC..Iπ-helixtrans-75.6-52.7-171.6-172.60000111.1V548 Q551 R552 D566 I567 P573V548-V571 HydrophobicContact CG1-CG1 4.49Å; V548-V571 HydrophobicContact CG2-CG2 4.38Å; Q551-V571 HydrophobicContact CB-CG1 3.58Å; Q551-V571 HydrophobicContact CG-CG1 4.33Å; R552-V571 WeakPolarHBondContact CG-O 3.44Å; R552-V571 PolarHBondContact NE-O 2.86Å; D566-V571 PolarHBondContact O-N 3.32Å; I567-V571 HydrophobicContact CD1-CB 4.15Å; I567-V571 HydrophobicContact CD1-CG1 4.47Å; I567-V571 HydrophobicContact CD1-CG2 3.97Å; I567-V571 PolarHBondContact O-N 3.34Å; V571-P573 VanDerWaalsContact C-CD 3.43Å; V571-P573 WeakPolarHBondContact O-CD 3.37Å
572L88.3Confident84.3Confident31 Ų3144.4 Ų44.416%0.16224%0.24CC..  trans-126.165.4-177.2-59.8177000111.5R552 A555 M562 I567 Q574 A575 K578R552-L572 HydrophobicContact CG-CD2 4.05Å; A555-L572 HydrophobicContact CB-CD1 3.75Å; A555-L572 HydrophobicContact CB-CD2 3.59Å; A555-L572 HydrophobicContact CB-CG 4.34Å; M562-L572 HydrophobicContact CG-CD1 4.49Å; M562-L572 HydrophobicContact SD-CD1 3.68Å; I567-L572 HydrophobicContact CG2-CD1 4.29Å; I567-L572 CarbonylContact O-C 3.59Å; I567-L572 WeakPolarHBondContact O-CA 3.43Å; I567-L572 PolarHBondContact O-N 3.39Å; L572-Q574 PolarHBondContact O-N 2.68Å; L572-A575 HydrophobicContact CB-CB 4.07Å; L572-A575 WeakPolarHBondContact O-CB 3.41Å; L572-A575 PolarHBondContact O-N 3.4Å; L572-A575 VanDerWaalsContact O-N 3.1Å; L572-K578 WeakPolarHBondContact O-CE 3.48Å
573P88.8Confident84.7Confident49 Ų4943.7 Ų43.732%0.31824%0.239SC..THydrogen-bonded Turntrans-66.4-8179.429.1-36.5000113.7V571 K578V571-P573 VanDerWaalsContact C-CD 3.43Å; V571-P573 WeakPolarHBondContact O-CD 3.37Å; P573-K578 VanDerWaalsContact C-NZ 3.28Å; P573-K578 WeakPolarHBondContact O-CE 3.39Å; P573-K578 PolarHBondContact O-NZ 3.45Å
574Q88.8Confident85.5Confident175 Ų17542.4 Ų42.482%0.81824%0.235SC*.THydrogen-bonded Turntrans-11619.1177.4-57.6-60.9-36.500112.1L572L572-Q574 PolarHBondContact O-N 2.68Å
575A87.7Confident86.1Confident32 Ų3243.2 Ų43.226%0.26424%0.235SC..  trans-58.1138.4174.700000111L572 V577 K578L572-A575 HydrophobicContact CB-CB 4.07Å; L572-A575 WeakPolarHBondContact O-CB 3.41Å; L572-A575 PolarHBondContact O-N 3.4Å; L572-A575 VanDerWaalsContact O-N 3.1Å; A575-V577 VanDerWaalsContact C-N 3.31Å; A575-V577 PolarHBondContact O-N 3.01Å; A575-K578 HydrophobicContact CB-CG 3.92Å
576E88.2Confident86.9Confident102 Ų10241.9 Ų41.948%0.47724%0.235SC..SBendtrans-65.8-34.3-174.7-64.1177.8144.400113.1W349 F659W349-E576 WeakPolarHBondContact CZ2-OE2 3.5Å; E576-F659 HydrophobicContact CB-CE1 4.21Å; E576-F659 HydrophobicContact CB-CE2 3.7Å; E576-F659 HydrophobicContact CB-CZ 3.53Å; E576-F659 HydrophobicContact CG-CE1 4.24Å; E576-F659 HydrophobicContact CG-CE2 4.44Å; E576-F659 HydrophobicContact CG-CZ 3.77Å; E576-F659 WeakPolarHBondContact OE1-CE1 3.39Å; E576-F659 WeakPolarHBondContact OE2-CE1 3.3Å; E576-F659 WeakPolarHBondContact OE2-CZ 3.46Å
577V89.9Confident87.5Confident17 Ų1742.7 Ų42.710%0.10324%0.239CC..  trans-131.6123.1174.6-174.80000108.5A575 I579 V653 I654 K657 F659A575-V577 VanDerWaalsContact C-N 3.31Å; A575-V577 PolarHBondContact O-N 3.01Å; V577-I579 HydrophobicContact CG1-CD1 4.22Å; V577-I579 HydrophobicContact CG1-CG1 4.02Å; V577-V653 HydrophobicContact CG1-CG1 3.87Å; V577-I654 HydrophobicContact CG1-CG1 4.11Å; V577-K657 HydrophobicContact CG2-CB 3.95Å; V577-K657 HydrophobicContact CG2-CG 4.2Å; V577-F659 HydrophobicContact CG2-CD2 3.71Å; V577-F659 HydrophobicContact CG2-CE2 4.19Å; V577-F659 HydrophobicContact CG2-CG 4.48Å
578K92.4Very high87.5Confident16 Ų1645.5 Ų45.57%0.0725%0.248CC..  trans-120.9133172.6-61.3176.7-164170.40108.5G568 L572 P573 A575 A630 D632 A633 E634G568-K578 WeakPolarHBondContact O-CE 3.28Å; G568-K578 PolarHBondContact O-NZ 3.03Å; L572-K578 WeakPolarHBondContact O-CE 3.48Å; P573-K578 VanDerWaalsContact C-NZ 3.28Å; P573-K578 WeakPolarHBondContact O-CE 3.39Å; P573-K578 PolarHBondContact O-NZ 3.45Å; A575-K578 HydrophobicContact CB-CG 3.92Å; K578-A630 HydrophobicContact CD-CB 4.08Å; K578-D632 WeakPolarHBondContact CD-OD1 3.34Å; K578-D632 WeakPolarHBondContact CE-OD2 3.39Å; K578-D632 IonicContact NZ-OD1 2.73Å; K578-D632 PolarHBondContact NZ-OD1 2.93Å; K578-D632 IonicContact NZ-OD2 2.62Å; K578-D632 PolarHBondContact NZ-OD2 3.25Å; K578-A633 HydrophobicContact CB-CB 3.74Å; K578-A633 CarbonylContact O-C 3.59Å; K578-A633 WeakPolarHBondContact O-CA 2.98Å; K578-E634 PolarHBondContact O-N 3.35Å
579I89.4Confident87.5Confident6 Ų644.9 Ų44.93%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-126.3129.7-177.8-58.4-179.5000107.3F347 V577 L581 E634 V636 I650 V653F347-I579 WeakPolarHBondContact CE1-O 3.44Å; F347-I579 WeakPolarHBondContact CZ-O 3.41Å; V577-I579 HydrophobicContact CG1-CD1 4.22Å; V577-I579 HydrophobicContact CG1-CG1 4.02Å; I579-L581 HydrophobicContact CG2-CD2 3.66Å; I579-L581 HydrophobicContact CG2-CG 4.42Å; I579-E634 CarbonylContact C-O 3.57Å; I579-E634 WeakPolarHBondContact CA-O 3.24Å; I579-V636 HydrophobicContact CG2-CB 4.2Å; I579-V636 HydrophobicContact CG2-CG2 3.75Å; I579-I650 HydrophobicContact CD1-CB 4.14Å; I579-I650 HydrophobicContact CD1-CG1 4Å; I579-I650 HydrophobicContact CD1-CG2 3.54Å; I579-V653 HydrophobicContact CD1-CB 4.38Å; I579-V653 HydrophobicContact CD1-CG1 4.06Å; I579-V653 HydrophobicContact CG1-CG1 4.13Å
580F89.8Confident87.7Confident38 Ų3847.9 Ų47.917%0.16725%0.253CS..EExtended strand (participates in β ladder)trans-110.3108.9174.6-167.6-100.2000108.4V582 L627 Q629 A633 E634 L635 V636F580-V582 HydrophobicContact CD1-CG1 3.71Å; F580-V582 HydrophobicContact CE1-CG1 3.57Å; F580-L627 HydrophobicContact CE2-CD1 4.06Å; F580-L627 HydrophobicContact CE2-CG 4.37Å; F580-L627 HydrophobicContact CZ-CD1 4.36Å; F580-L627 HydrophobicContact CZ-CG 4.22Å; F580-Q629 HydrophobicContact CB-CB 4.3Å; F580-Q629 HydrophobicContact CB-CG 3.79Å; F580-Q629 HydrophobicContact CD1-CB 3.85Å; F580-Q629 HydrophobicContact CD1-CG 4.12Å; F580-Q629 HydrophobicContact CD2-CB 3.93Å; F580-Q629 HydrophobicContact CD2-CG 4.31Å; F580-Q629 HydrophobicContact CE1-CB 4.1Å; F580-Q629 HydrophobicContact CE2-CB 4.17Å; F580-Q629 HydrophobicContact CG-CB 3.76Å; F580-Q629 HydrophobicContact CG-CG 3.82Å; F580-Q629 HydrophobicContact CZ-CB 4.25Å; F580-A633 HydrophobicContact CB-CB 4.26Å; F580-E634 PolarHBondContact N-O 2.7Å; F580-L635 HydrophobicContact CD1-CD1 3.69Å; F580-L635 WeakPolarHBondContact O-CA 3.35Å; F580-V636 PolarHBondContact O-N 3.21Å
581L87.9Confident87.8Confident38 Ų3849.3 Ų49.320%0.19925%0.251CS..EExtended strand (participates in β ladder)trans-83.7130.6-179.8-64.1-164.5000111.1A346 I579 V636 T638 I650A346-L581 HydrophobicContact CB-CD1 3.74Å; A346-L581 WeakPolarHBondContact O-CD1 3.33Å; A346-L581 WeakPolarHBondContact O-CG 3.17Å; I579-L581 HydrophobicContact CG2-CD2 3.66Å; I579-L581 HydrophobicContact CG2-CG 4.42Å; L581-V636 WeakPolarHBondContact CA-O 3.28Å; L581-V636 HydrophobicContact CD2-CB 3.7Å; L581-V636 HydrophobicContact CD2-CG1 4Å; L581-T638 HydrophobicContact CD1-CG2 4.5Å; L581-T638 HydrophobicContact CD2-CG2 4.15Å; L581-I650 HydrophobicContact CD2-CD1 4.26Å
582V89Confident87.6Confident46 Ų4654 Ų5428%0.27927%0.269SS..EExtended strand (participates in β ladder)trans-127163.3169.6-60.90000110.7F580 L635 V636 D637 T638F580-V582 HydrophobicContact CD1-CG1 3.71Å; F580-V582 HydrophobicContact CE1-CG1 3.57Å; V582-L635 HydrophobicContact CB-CD1 4.27Å; V582-L635 HydrophobicContact CG1-CD1 3.59Å; V582-L635 HydrophobicContact CG2-CD1 3.67Å; V582-L635 HydrophobicContact CG2-CG 4.18Å; V582-V636 PolarHBondContact N-O 2.87Å; V582-D637 HydrophobicContact CG2-CB 3.82Å; V582-T638 PolarHBondContact O-N 3.38Å; V582-T638 PolarHBondContact O-OG1 2.77Å
583A86.8Confident87.2Confident18 Ų1856.3 Ų56.315%0.14928%0.276CS..  trans-155.1151.7167.400000108R588 T638 T639A583-R588 HydrophobicContact CB-CG 3.69Å; A583-T638 WeakPolarHBondContact CB-OG1 3.49Å; A583-T639 WeakPolarHBondContact CA-OG1 3.42Å
584S88.1Confident87Confident41 Ų4160 Ų6029%0.28729%0.287SS..  trans-58.5148.3173.474.60000110.7D586 E587 R588 T639S584-D586 PolarHBondContact O-N 2.98Å; S584-E587 PolarHBondContact O-N 3.24Å; S584-E587 WeakPolarHBondContact OG-CB 3.48Å; S584-E587 PolarHBondContact OG-N 2.94Å; S584-R588 WeakPolarHBondContact O-CG 3.41Å; S584-R588 PolarHBondContact O-N 3.43Å; S584-T639 PolarHBondContact N-OG1 2.87Å
585V83.5Confident86.3Confident40 Ų4054.8 Ų54.824%0.24226%0.262CS..Hα-helixtrans-57.4-41.5176.3-178.60000109.9E587 R588 A589 K609 I612 A613V585-E587 PolarHBondContact O-N 3.3Å; V585-R588 PolarHBondContact O-N 3.24Å; V585-A589 VanDerWaalsContact O-CB 3.28Å; V585-A589 WeakPolarHBondContact O-CB 3.41Å; V585-A589 PolarHBondContact O-N 2.82Å; V585-K609 HydrophobicContact CG1-CG 3.7Å; V585-K609 VanDerWaalsContact CG1-O 3.24Å; V585-K609 WeakPolarHBondContact CG1-O 3.35Å; V585-I612 HydrophobicContact CG1-CB 4.15Å; V585-I612 HydrophobicContact CG1-CG2 3.94Å; V585-A613 HydrophobicContact CG1-CB 4.06Å; V585-A613 HydrophobicContact CG2-CB 4.46Å
586D88.6Confident85.6Confident71 Ų7153.7 Ų53.738%0.3825%0.252SS..Hα-helixtrans-58.1-46.5175.8-69.3-84.2000113.1S584 A589 Q590 K609S584-D586 PolarHBondContact O-N 2.98Å; D586-A589 PolarHBondContact O-N 3.42Å; D586-Q590 WeakPolarHBondContact O-CB 3.18Å; D586-Q590 PolarHBondContact O-N 2.99Å; D586-K609 WeakPolarHBondContact OD1-CE 3.46Å; D586-K609 IonicContact OD1-NZ 2.96Å; D586-K609 PolarHBondContact OD1-NZ 3.37Å; D586-K609 IonicContact OD2-NZ 2.97Å
587E87.5Confident85Confident34 Ų3454.2 Ų54.216%0.15925%0.254CS..Hα-helixtrans-64.6-44.5178.5176.174.6-154.800111S584 V585 A589 Q590 R591 T639 G640S584-E587 PolarHBondContact O-N 3.24Å; S584-E587 WeakPolarHBondContact OG-CB 3.48Å; S584-E587 PolarHBondContact OG-N 2.94Å; V585-E587 PolarHBondContact O-N 3.3Å; E587-A589 VanDerWaalsContact C-N 3.27Å; E587-A589 PolarHBondContact O-N 2.98Å; E587-Q590 PolarHBondContact O-N 3.26Å; E587-R591 VanDerWaalsContact CG-CZ 3.45Å; E587-R591 VanDerWaalsContact CG-NH2 3.29Å; E587-R591 WeakPolarHBondContact O-CG 3.19Å; E587-R591 PolarHBondContact O-N 3.48Å; E587-R591 IonicContact OE1-CZ 3.31Å; E587-R591 VanDerWaalsContact OE1-CZ 3.26Å; E587-R591 IonicContact OE1-NE 3.09Å; E587-R591 PolarHBondContact OE1-NE 3.15Å; E587-R591 IonicContact OE1-NH2 3.65Å; E587-R591 PolarHBondContact OE1-NH2 3.34Å; E587-T639 HydrophobicContact CB-CG2 4.18Å; E587-G640 PolarHBondContact OE2-N 3.45Å
588R85.7Confident84.3Confident76 Ų7660.2 Ų60.229%0.28728%0.282SS..Hα-helixtrans-63.7-38.1177.5-69170.659.5-169.8-4.8111A583 S584 V585 R592 I612 D616A583-R588 HydrophobicContact CB-CG 3.69Å; S584-R588 WeakPolarHBondContact O-CG 3.41Å; S584-R588 PolarHBondContact O-N 3.43Å; V585-R588 PolarHBondContact O-N 3.24Å; R588-R592 WeakPolarHBondContact O-CB 3.25Å; R588-R592 PolarHBondContact O-N 3.37Å; R588-I612 HydrophobicContact CB-CD1 3.92Å; R588-I612 HydrophobicContact CB-CG2 4.19Å; R588-D616 IonicContact CZ-OD1 3.26Å; R588-D616 VanDerWaalsContact CZ-OD1 3.24Å; R588-D616 IonicContact CZ-OD2 3.51Å; R588-D616 IonicContact NH1-OD1 2.86Å; R588-D616 PolarHBondContact NH1-OD1 3.34Å; R588-D616 IonicContact NH1-OD2 2.81Å; R588-D616 PolarHBondContact NH1-OD2 2.82Å; R588-D616 IonicContact NH2-OD1 2.84Å; R588-D616 PolarHBondContact NH2-OD1 3.49Å; R588-D616 IonicContact NH2-OD2 2.65Å
589A85.3Confident83Confident0 Ų065.5 Ų65.50%030%0.304CS..Hα-helixtrans-64.4-42.3174.300000111.5V585 D586 E587 R592 Y593 F605 I608 K609 I612V585-A589 VanDerWaalsContact O-CB 3.28Å; V585-A589 WeakPolarHBondContact O-CB 3.41Å; V585-A589 PolarHBondContact O-N 2.82Å; D586-A589 PolarHBondContact O-N 3.42Å; E587-A589 VanDerWaalsContact C-N 3.27Å; E587-A589 PolarHBondContact O-N 2.98Å; A589-R592 PolarHBondContact O-N 2.97Å; A589-Y593 WeakPolarHBondContact O-CB 3.48Å; A589-Y593 PolarHBondContact O-N 3.38Å; A589-F605 HydrophobicContact CB-CE2 4Å; A589-F605 HydrophobicContact CB-CZ 4.17Å; A589-I608 HydrophobicContact CB-CB 4.31Å; A589-I608 HydrophobicContact CB-CG2 3.72Å; A589-K609 HydrophobicContact CB-CB 3.95Å; A589-K609 HydrophobicContact CB-CG 4.46Å; A589-I612 HydrophobicContact CB-CD1 4.08Å
590Q88.6Confident81.7Confident114 Ų11468.5 Ų68.553%0.53334%0.337SS..Hα-helixtrans-65.7-41.9177.4-169.4175.20.100112.8D586 E587 Y593 K594 F605D586-Q590 WeakPolarHBondContact O-CB 3.18Å; D586-Q590 PolarHBondContact O-N 2.99Å; E587-Q590 PolarHBondContact O-N 3.26Å; Q590-Y593 PolarHBondContact O-N 2.84Å; Q590-K594 WeakPolarHBondContact O-CB 3.1Å; Q590-K594 PolarHBondContact O-N 2.95Å; Q590-F605 HydrophobicContact CB-CE2 3.99Å
591R86.3Confident80.2Confident91 Ų9169.3 Ų69.334%0.34334%0.343SS..Hα-helixtrans-61.1-45.8174.8-70.6171.8-171174.22.1111.1E587 K594 E595 T638 M641E587-R591 VanDerWaalsContact CG-CZ 3.45Å; E587-R591 VanDerWaalsContact CG-NH2 3.29Å; E587-R591 WeakPolarHBondContact O-CG 3.19Å; E587-R591 PolarHBondContact O-N 3.48Å; E587-R591 IonicContact OE1-CZ 3.31Å; E587-R591 VanDerWaalsContact OE1-CZ 3.26Å; E587-R591 IonicContact OE1-NE 3.09Å; E587-R591 PolarHBondContact OE1-NE 3.15Å; E587-R591 IonicContact OE1-NH2 3.65Å; E587-R591 PolarHBondContact OE1-NH2 3.34Å; R591-K594 PolarHBondContact O-N 3Å; R591-E595 WeakPolarHBondContact O-CB 3.38Å; R591-E595 PolarHBondContact O-N 2.72Å; R591-T638 PolarHBondContact NH1-OG1 3.44Å; R591-T638 PolarHBondContact NH2-O 3.3Å; R591-M641 PolarHBondContact NH2-O 2.9Å
592R78.4Confident79.1Confident100 Ų10076 Ų7638%0.37737%0.373SS..Hα-helixtrans-65-43.3176.9-178.467.883-176.117.4111.8R588 A589 K594 E595 N596 I608R588-R592 WeakPolarHBondContact O-CB 3.25Å; R588-R592 PolarHBondContact O-N 3.37Å; A589-R592 PolarHBondContact O-N 2.97Å; R592-K594 VanDerWaalsContact C-N 3.33Å; R592-K594 PolarHBondContact O-N 3.3Å; R592-E595 IonicContact CZ-OE2 2.8Å; R592-E595 IonicContact NH1-OE1 4Å; R592-E595 IonicContact NH1-OE2 3.33Å; R592-E595 PolarHBondContact NH1-OE2 3.37Å; R592-E595 WeakPolarHBondContact O-CB 3.33Å; R592-E595 PolarHBondContact O-N 3.27Å; R592-N596 WeakPolarHBondContact O-CB 3.32Å; R592-N596 VanDerWaalsContact O-CG 3.24Å; R592-N596 PolarHBondContact O-N 3.48Å; R592-N596 PolarHBondContact O-OD1 3.05Å; R592-I608 HydrophobicContact CB-CG2 3.92Å; R592-I608 HydrophobicContact CG-CG2 3.94Å
593Y81.5Confident77.8Confident78 Ų7874.9 Ų74.931%0.30637%0.365SS..Hα-helixtrans-59-44.9177.4-178-100.8000111.3A589 Q590 N596 Q597 M603 F605 I608A589-Y593 WeakPolarHBondContact O-CB 3.48Å; A589-Y593 PolarHBondContact O-N 3.38Å; Q590-Y593 PolarHBondContact O-N 2.84Å; Y593-N596 PolarHBondContact O-N 3.21Å; Y593-Q597 HydrophobicContact CD1-CG 4.45Å; Y593-Q597 VanDerWaalsContact CE1-CD 3.49Å; Y593-Q597 HydrophobicContact CE1-CG 4.16Å; Y593-Q597 WeakPolarHBondContact O-CG 2.97Å; Y593-Q597 PolarHBondContact O-N 2.98Å; Y593-Q597 PolarHBondContact OH-NE2 3.07Å; Y593-M603 VanDerWaalsContact CE2-O 3.24Å; Y593-M603 WeakPolarHBondContact CE2-O 3.14Å; Y593-F605 HydrophobicContact CD2-CB 4.39Å; Y593-F605 HydrophobicContact CG-CD2 4.24Å; Y593-I608 HydrophobicContact CD2-CD1 3.73Å; Y593-I608 HydrophobicContact CG-CD1 4.22Å
594K83.8Confident77.5Confident126 Ų12679 Ų7955%0.54839%0.385SS..Hα-helixtrans-64.6-43.6175.3-170.7-175.4175.6-165.10112.4Q590 R591 R592 N596 Q597 E598Q590-K594 WeakPolarHBondContact O-CB 3.1Å; Q590-K594 PolarHBondContact O-N 2.95Å; R591-K594 PolarHBondContact O-N 3Å; R592-K594 VanDerWaalsContact C-N 3.33Å; R592-K594 PolarHBondContact O-N 3.3Å; K594-N596 VanDerWaalsContact C-N 3.25Å; K594-N596 PolarHBondContact O-N 3.16Å; K594-Q597 PolarHBondContact O-N 3.34Å; K594-E598 VanDerWaalsContact CE-OE1 3.3Å; K594-E598 WeakPolarHBondContact CE-OE1 2.95Å; K594-E598 IonicContact NZ-OE1 2.83Å; K594-E598 WeakPolarHBondContact O-CG 2.93Å; K594-E598 PolarHBondContact O-N 3.49Å
595E73.8Confident77.1Confident67 Ų6779.9 Ų79.931%0.31338%0.383SS..Hα-helixtrans-58.2-39.5174.9-171.1-169173.500111.4R591 R592 E598 K599R591-E595 WeakPolarHBondContact O-CB 3.38Å; R591-E595 PolarHBondContact O-N 2.72Å; R592-E595 IonicContact CZ-OE2 2.8Å; R592-E595 IonicContact NH1-OE1 4Å; R592-E595 IonicContact NH1-OE2 3.33Å; R592-E595 PolarHBondContact NH1-OE2 3.37Å; R592-E595 WeakPolarHBondContact O-CB 3.33Å; R592-E595 PolarHBondContact O-N 3.27Å; E595-E598 PolarHBondContact O-N 3.47Å; E595-K599 HydrophobicContact CG-CD 4.4Å; E595-K599 WeakPolarHBondContact O-CG 3.47Å; E595-K599 PolarHBondContact O-N 2.95Å; E595-K599 VanDerWaalsContact O-N 3.15Å; E595-K599 IonicContact OE1-NZ 3.74Å; E595-K599 PolarHBondContact OE1-NZ 3.05Å
596N73.2Confident77.1Confident8 Ų883.1 Ų83.14%0.04340%0.396CS..Hα-helixtrans-69.6-42177.5-72.8-5.9000111.9R592 Y593 K594 E598 K599 G600 I601 M603R592-N596 WeakPolarHBondContact O-CB 3.32Å; R592-N596 VanDerWaalsContact O-CG 3.24Å; R592-N596 PolarHBondContact O-N 3.48Å; R592-N596 PolarHBondContact O-OD1 3.05Å; Y593-N596 PolarHBondContact O-N 3.21Å; K594-N596 VanDerWaalsContact C-N 3.25Å; K594-N596 PolarHBondContact O-N 3.16Å; N596-E598 VanDerWaalsContact C-N 3.31Å; N596-E598 PolarHBondContact O-N 3.47Å; N596-K599 CarbonylContact O-C 3.49Å; N596-K599 PolarHBondContact O-N 3.48Å; N596-K599 VanDerWaalsContact O-N 3.09Å; N596-G600 PolarHBondContact O-N 3.47Å; N596-G600 VanDerWaalsContact O-N 3.08Å; N596-I601 CarbonylContact C-O 3.56Å; N596-I601 HydrophobicContact CB-CB 3.98Å; N596-I601 HydrophobicContact CB-CG2 4.2Å; N596-I601 WeakPolarHBondContact O-CB 2.94Å; N596-I601 PolarHBondContact O-N 2.9Å; N596-M603 VanDerWaalsContact ND2-CE 3.25Å; N596-M603 WeakPolarHBondContact ND2-CE 3.48Å; N596-M603 PolarHBondContact ND2-SD 2.67Å
597Q75.3Confident76.3Confident113 Ų11380.7 Ų80.753%0.52839%0.386SS..Hα-helixtrans-58.6-41.9172.5-73.2-173.2-29.400112.1Y593 K594 K599 G600Y593-Q597 HydrophobicContact CD1-CG 4.45Å; Y593-Q597 VanDerWaalsContact CE1-CD 3.49Å; Y593-Q597 HydrophobicContact CE1-CG 4.16Å; Y593-Q597 WeakPolarHBondContact O-CG 2.97Å; Y593-Q597 PolarHBondContact O-N 2.98Å; Y593-Q597 PolarHBondContact OH-NE2 3.07Å; K594-Q597 PolarHBondContact O-N 3.34Å; Q597-K599 PolarHBondContact O-N 3.23Å; Q597-G600 PolarHBondContact O-N 3.41Å
598E75.3Confident75.6Confident144 Ų14479.2 Ų79.267%0.67338%0.379SS*.Hα-helixtrans-65.2-27.3176.7-72.4173.7-171.500112.7K594 E595 N596K594-E598 VanDerWaalsContact CE-OE1 3.3Å; K594-E598 WeakPolarHBondContact CE-OE1 2.95Å; K594-E598 IonicContact NZ-OE1 2.83Å; K594-E598 WeakPolarHBondContact O-CG 2.93Å; K594-E598 PolarHBondContact O-N 3.49Å; E595-E598 PolarHBondContact O-N 3.47Å; N596-E598 VanDerWaalsContact C-N 3.31Å; N596-E598 PolarHBondContact O-N 3.47Å
599K66.1Low75.5Confident126 Ų12678.3 Ų78.355%0.54838%0.377SS..THydrogen-bonded Turntrans-90.7-0.5176.2-68.9172.7-179.5175.10114E595 N596 Q597 I601E595-K599 HydrophobicContact CG-CD 4.4Å; E595-K599 WeakPolarHBondContact O-CG 3.47Å; E595-K599 PolarHBondContact O-N 2.95Å; E595-K599 VanDerWaalsContact O-N 3.15Å; E595-K599 IonicContact OE1-NZ 3.74Å; E595-K599 PolarHBondContact OE1-NZ 3.05Å; N596-K599 CarbonylContact O-C 3.49Å; N596-K599 PolarHBondContact O-N 3.48Å; N596-K599 VanDerWaalsContact O-N 3.09Å; Q597-K599 PolarHBondContact O-N 3.23Å; K599-I601 HydrophobicContact CB-CD1 3.83Å; K599-I601 HydrophobicContact CB-CG1 4.01Å; K599-I601 HydrophobicContact CD-CD1 4.34Å
600G62.2Low75.1Confident70 Ų7085.4 Ų85.472%0.72241%0.41SS*.THydrogen-bonded Turntrans74.225.3-177.800000114.2N596 Q597N596-G600 PolarHBondContact O-N 3.47Å; N596-G600 VanDerWaalsContact O-N 3.08Å; Q597-G600 PolarHBondContact O-N 3.41Å
601I57.8Low73.9Confident55 Ų5581.4 Ų81.428%0.28240%0.397SS..  trans-102113.8-178.3-59.7173.4000108.4A162 N596 K599 M603A162-I601 HydrophobicContact CB-CG2 3.43Å; A162-I601 VanDerWaalsContact CB-CG2 3.43Å; N596-I601 CarbonylContact C-O 3.56Å; N596-I601 HydrophobicContact CB-CB 3.98Å; N596-I601 HydrophobicContact CB-CG2 4.2Å; N596-I601 WeakPolarHBondContact O-CB 2.94Å; N596-I601 PolarHBondContact O-N 2.9Å; K599-I601 HydrophobicContact CB-CD1 3.83Å; K599-I601 HydrophobicContact CB-CG1 4.01Å; K599-I601 HydrophobicContact CD-CD1 4.34Å; I601-M603 HydrophobicContact CG2-CG 4.1Å; I601-M603 HydrophobicContact CG2-SD 3.9Å
602E64.9Low73.1Confident178 Ų17878.1 Ų78.183%0.83239%0.386SS*.  trans-86.5117.8173.3-79.1-172.5168.400110.5
603M62Low73Confident23 Ų2375.4 Ų75.411%0.11339%0.385CS..  trans-137.1152.4175.8-82.216943.400110.5A162 D164 Y593 N596 I601 I608A162-M603 HydrophobicContact CB-CG 3.52Å; A162-M603 HydrophobicContact CB-SD 3.08Å; A162-M603 WeakPolarHBondContact CB-SD 3.09Å; D164-M603 WeakPolarHBondContact OD1-CE 3.49Å; D164-M603 WeakPolarHBondContact OD2-CE 3.44Å; Y593-M603 VanDerWaalsContact CE2-O 3.24Å; Y593-M603 WeakPolarHBondContact CE2-O 3.14Å; N596-M603 VanDerWaalsContact ND2-CE 3.25Å; N596-M603 WeakPolarHBondContact ND2-CE 3.48Å; N596-M603 PolarHBondContact ND2-SD 2.67Å; I601-M603 HydrophobicContact CG2-CG 4.1Å; I601-M603 HydrophobicContact CG2-SD 3.9Å; M603-I608 HydrophobicContact CB-CD1 4.21Å; M603-I608 HydrophobicContact CB-CG1 4.4Å; M603-I608 HydrophobicContact CE-CB 4.42Å; M603-I608 HydrophobicContact CE-CD1 3.6Å; M603-I608 HydrophobicContact CE-CG1 3.09Å
604D79.3Confident72.2Confident105 Ų10574.8 Ų74.856%0.56138%0.383SS*.  trans-76.1136.2173.9178.150.6000111.2E606 A607 I608D604-E606 VanDerWaalsContact C-N 3.32Å; D604-E606 PolarHBondContact O-N 2.83Å; D604-E606 WeakPolarHBondContact OD2-CB 3.49Å; D604-E606 PolarHBondContact OD2-N 2.76Å; D604-A607 HydrophobicContact CB-CB 4.16Å; D604-A607 PolarHBondContact O-N 3.2Å; D604-A607 PolarHBondContact OD2-N 2.9Å; D604-I608 PolarHBondContact O-N 3.49Å
605F81Confident71.4Confident59 Ų5973.8 Ų73.826%0.25938%0.376SS..Hα-helixtrans-63.7-37.3-177.2177.8-96000112.1A589 Q590 Y593 I608 K609A589-F605 HydrophobicContact CB-CE2 4Å; A589-F605 HydrophobicContact CB-CZ 4.17Å; Q590-F605 HydrophobicContact CB-CE2 3.99Å; Y593-F605 HydrophobicContact CD2-CB 4.39Å; Y593-F605 HydrophobicContact CG-CD2 4.24Å; F605-I608 PolarHBondContact O-N 3.43Å; F605-K609 PolarHBondContact O-N 3.29Å; F605-K609 VanDerWaalsContact O-N 3.14Å
606E83.3Confident71.2Confident108 Ų10872.5 Ų72.551%0.50537%0.372SS..Hα-helixtrans-69.9-36.5178.7-68-61.7137.200111.8D604 I608 K609 E610D604-E606 VanDerWaalsContact C-N 3.32Å; D604-E606 PolarHBondContact O-N 2.83Å; D604-E606 WeakPolarHBondContact OD2-CB 3.49Å; D604-E606 PolarHBondContact OD2-N 2.76Å; E606-I608 PolarHBondContact O-N 3.14Å; E606-K609 WeakPolarHBondContact O-CB 3.44Å; E606-K609 PolarHBondContact O-N 3.43Å; E606-E610 PolarHBondContact O-N 2.91Å
607A72.2Confident71.2Confident20 Ų2078.8 Ų78.817%0.16540%0.396CS..Hα-helixtrans-60.7-43.9174.200000112.5D604 K609 E610 A611D604-A607 HydrophobicContact CB-CB 4.16Å; D604-A607 PolarHBondContact O-N 3.2Å; D604-A607 PolarHBondContact OD2-N 2.9Å; A607-K609 VanDerWaalsContact C-N 3.31Å; A607-K609 PolarHBondContact O-N 2.85Å; A607-E610 PolarHBondContact O-N 3.37Å; A607-A611 WeakPolarHBondContact O-CB 3.49Å; A607-A611 PolarHBondContact O-N 3.31Å
608I71.7Confident70.4Confident3 Ų375.6 Ų75.62%0.01538%0.382CS..Hα-helixtrans-58.4-47.4174.8-65.9169.6000110.6A589 R592 Y593 M603 D604 F605 E606 E610 A611 I612A589-I608 HydrophobicContact CB-CB 4.31Å; A589-I608 HydrophobicContact CB-CG2 3.72Å; R592-I608 HydrophobicContact CB-CG2 3.92Å; R592-I608 HydrophobicContact CG-CG2 3.94Å; Y593-I608 HydrophobicContact CD2-CD1 3.73Å; Y593-I608 HydrophobicContact CG-CD1 4.22Å; M603-I608 HydrophobicContact CB-CD1 4.21Å; M603-I608 HydrophobicContact CB-CG1 4.4Å; M603-I608 HydrophobicContact CE-CB 4.42Å; M603-I608 HydrophobicContact CE-CD1 3.6Å; M603-I608 HydrophobicContact CE-CG1 3.09Å; D604-I608 PolarHBondContact O-N 3.49Å; F605-I608 PolarHBondContact O-N 3.43Å; E606-I608 PolarHBondContact O-N 3.14Å; I608-E610 VanDerWaalsContact C-N 3.34Å; I608-E610 PolarHBondContact O-N 2.95Å; I608-A611 PolarHBondContact O-N 3.44Å; I608-I612 HydrophobicContact CG2-CD1 3.7Å; I608-I612 HydrophobicContact CG2-CG1 4.4Å; I608-I612 VanDerWaalsContact O-CG1 3.3Å; I608-I612 WeakPolarHBondContact O-CG1 3.49Å; I608-I612 PolarHBondContact O-N 3.47Å
609K82.9Confident69.8Low56 Ų5669.3 Ų69.324%0.24335%0.353CS..Hα-helixtrans-60.9-44.4-177.6-173.3-178.9172.6172.40111.2V585 D586 A589 F605 E606 A607 I612 A613V585-K609 HydrophobicContact CG1-CG 3.7Å; V585-K609 VanDerWaalsContact CG1-O 3.24Å; V585-K609 WeakPolarHBondContact CG1-O 3.35Å; D586-K609 WeakPolarHBondContact OD1-CE 3.46Å; D586-K609 IonicContact OD1-NZ 2.96Å; D586-K609 PolarHBondContact OD1-NZ 3.37Å; D586-K609 IonicContact OD2-NZ 2.97Å; A589-K609 HydrophobicContact CB-CB 3.95Å; A589-K609 HydrophobicContact CB-CG 4.46Å; F605-K609 PolarHBondContact O-N 3.29Å; F605-K609 VanDerWaalsContact O-N 3.14Å; E606-K609 WeakPolarHBondContact O-CB 3.44Å; E606-K609 PolarHBondContact O-N 3.43Å; A607-K609 VanDerWaalsContact C-N 3.31Å; A607-K609 PolarHBondContact O-N 2.85Å; K609-I612 PolarHBondContact O-N 3.02Å; K609-A613 PolarHBondContact O-N 3.31Å
610E76.7Confident70Confident149 Ų14965.7 Ų65.770%0.69634%0.343SS*.Hα-helixtrans-64-44.4177-169.4178.3179.500112.1E606 A607 I608 I612 A613 K614E606-E610 PolarHBondContact O-N 2.91Å; A607-E610 PolarHBondContact O-N 3.37Å; I608-E610 VanDerWaalsContact C-N 3.34Å; I608-E610 PolarHBondContact O-N 2.95Å; E610-I612 VanDerWaalsContact C-N 3.35Å; E610-I612 PolarHBondContact O-N 3.21Å; E610-A613 PolarHBondContact O-N 2.86Å; E610-K614 WeakPolarHBondContact O-CB 3.2Å; E610-K614 PolarHBondContact O-N 3.43Å
611A65.4Low70.4Confident31 Ų3168 Ų6826%0.25634%0.335SS..Hα-helixtrans-61.7-41.9178.800000112.4A607 I608 K614 R615A607-A611 WeakPolarHBondContact O-CB 3.49Å; A607-A611 PolarHBondContact O-N 3.31Å; I608-A611 PolarHBondContact O-N 3.44Å; A611-K614 PolarHBondContact O-N 2.77Å; A611-R615 PolarHBondContact O-N 3.22Å
612I69.2Low70.7Confident22 Ų2270.9 Ų70.911%0.11334%0.342CS..Hα-helixtrans-63.7-49.1176.2-69.4172.2000110.7V585 R588 A589 I608 K609 E610 K614 R615 D616V585-I612 HydrophobicContact CG1-CB 4.15Å; V585-I612 HydrophobicContact CG1-CG2 3.94Å; R588-I612 HydrophobicContact CB-CD1 3.92Å; R588-I612 HydrophobicContact CB-CG2 4.19Å; A589-I612 HydrophobicContact CB-CD1 4.08Å; I608-I612 HydrophobicContact CG2-CD1 3.7Å; I608-I612 HydrophobicContact CG2-CG1 4.4Å; I608-I612 VanDerWaalsContact O-CG1 3.3Å; I608-I612 WeakPolarHBondContact O-CG1 3.49Å; I608-I612 PolarHBondContact O-N 3.47Å; K609-I612 PolarHBondContact O-N 3.02Å; E610-I612 VanDerWaalsContact C-N 3.35Å; E610-I612 PolarHBondContact O-N 3.21Å; I612-K614 VanDerWaalsContact C-N 3.29Å; I612-K614 PolarHBondContact O-N 3.42Å; I612-R615 PolarHBondContact O-N 2.83Å; I612-D616 PolarHBondContact O-N 3.43Å
613A75.1Confident70.4Confident43 Ų4372 Ų7236%0.35535%0.347SS..Hα-helixtrans-59.2-40.8179.500000112.2V585 K609 E610 D616 Y617V585-A613 HydrophobicContact CG1-CB 4.06Å; V585-A613 HydrophobicContact CG2-CB 4.46Å; K609-A613 PolarHBondContact O-N 3.31Å; E610-A613 PolarHBondContact O-N 2.86Å; A613-D616 PolarHBondContact O-N 3.35Å; A613-Y617 PolarHBondContact O-N 3.02Å; A613-Y617 VanDerWaalsContact O-N 3.16Å
614K66.2Low69.9Low64 Ų6476.5 Ų76.528%0.27838%0.376SS..Hα-helixtrans-64.2-44.4177.1-172.2179.6-170.5174.60112.1K136 H139 E610 A611 I612 D616 Y617 L618K136-K614 PolarHBondContact O-NZ 3.3Å; H139-K614 WeakPolarHBondContact O-CE 3.22Å; H139-K614 PolarHBondContact O-NZ 3.11Å; E610-K614 WeakPolarHBondContact O-CB 3.2Å; E610-K614 PolarHBondContact O-N 3.43Å; A611-K614 PolarHBondContact O-N 2.77Å; I612-K614 VanDerWaalsContact C-N 3.29Å; I612-K614 PolarHBondContact O-N 3.42Å; K614-D616 VanDerWaalsContact C-N 3.35Å; K614-D616 PolarHBondContact O-N 3.33Å; K614-Y617 PolarHBondContact O-N 3.24Å; K614-L618 HydrophobicContact CG-CD1 4.33Å; K614-L618 WeakPolarHBondContact O-CG 2.87Å; K614-L618 PolarHBondContact O-N 3.21Å; K614-L618 VanDerWaalsContact O-N 3.12Å
615R65.9Low69Low106 Ų10673.2 Ų73.240%0.436%0.361SS..Hα-helixtrans-60.4-45.3177.6179.6-179.4172.1179-1.9111.4A611 I612 Y617 L618 D619A611-R615 PolarHBondContact O-N 3.22Å; I612-R615 PolarHBondContact O-N 2.83Å; R615-Y617 VanDerWaalsContact C-N 3.3Å; R615-Y617 PolarHBondContact O-N 2.65Å; R615-L618 PolarHBondContact O-N 3.17Å; R615-D619 IonicContact NE-OD2 2.67Å; R615-D619 PolarHBondContact NE-OD2 2.71Å; R615-D619 WeakPolarHBondContact O-CB 3.43Å; R615-D619 PolarHBondContact O-N 2.96Å
616D70.7Confident68.3Low40 Ų4071.9 Ų71.921%0.21436%0.359CS..Hα-helixtrans-61.3-40.2179.8-67.2-15.9000112.1R588 I612 A613 K614 D619 S620R588-D616 IonicContact CZ-OD1 3.26Å; R588-D616 VanDerWaalsContact CZ-OD1 3.24Å; R588-D616 IonicContact CZ-OD2 3.51Å; R588-D616 IonicContact NH1-OD1 2.86Å; R588-D616 PolarHBondContact NH1-OD1 3.34Å; R588-D616 IonicContact NH1-OD2 2.81Å; R588-D616 PolarHBondContact NH1-OD2 2.82Å; R588-D616 IonicContact NH2-OD1 2.84Å; R588-D616 PolarHBondContact NH2-OD1 3.49Å; R588-D616 IonicContact NH2-OD2 2.65Å; I612-D616 PolarHBondContact O-N 3.43Å; A613-D616 PolarHBondContact O-N 3.35Å; K614-D616 VanDerWaalsContact C-N 3.35Å; K614-D616 PolarHBondContact O-N 3.33Å; D616-D619 PolarHBondContact O-N 2.86Å; D616-S620 WeakPolarHBondContact O-CB 3.39Å; D616-S620 PolarHBondContact O-N 2.81Å; D616-S620 PolarHBondContact O-OG 3.03Å
617Y71.3Confident67.8Low140 Ų14069.6 Ų69.655%0.54935%0.35SS..Hα-helixtrans-60.1-47.6174.5-178.7-97.3000111.4A613 K614 R615 S620 H621A613-Y617 PolarHBondContact O-N 3.02Å; A613-Y617 VanDerWaalsContact O-N 3.16Å; K614-Y617 PolarHBondContact O-N 3.24Å; R615-Y617 VanDerWaalsContact C-N 3.3Å; R615-Y617 PolarHBondContact O-N 2.65Å; Y617-S620 PolarHBondContact O-N 3.1Å; Y617-S620 PolarHBondContact O-OG 2.83Å; Y617-H621 AromaticContact CD2-CE1 3.53Å; Y617-H621 AromaticContact CD2-ND1 3.73Å; Y617-H621 AromaticContact CE2-CE1 3.39Å; Y617-H621 WeakPolarHBondContact CE2-CE1 3.39Å; Y617-H621 AromaticContact CE2-ND1 3.76Å; Y617-H621 AromaticContact CE2-NE2 3.6Å; Y617-H621 WeakPolarHBondContact O-CB 3.47Å; Y617-H621 PolarHBondContact O-N 3.31Å; Y617-H621 PolarHBondContact O-ND1 3.3Å
618L59.6Low68.1Low46 Ų4673.1 Ų73.124%0.24137%0.365CS..Hα-helixtrans-64.6-43.3179-65.8166.5000112.3Q138 K614 R615 S620 H621 R622Q138-L618 WeakPolarHBondContact O-CD1 3.35Å; Q138-L618 VanDerWaalsContact O-CD2 3.29Å; Q138-L618 WeakPolarHBondContact O-CD2 3.24Å; K614-L618 HydrophobicContact CG-CD1 4.33Å; K614-L618 WeakPolarHBondContact O-CG 2.87Å; K614-L618 PolarHBondContact O-N 3.21Å; K614-L618 VanDerWaalsContact O-N 3.12Å; R615-L618 PolarHBondContact O-N 3.17Å; L618-S620 VanDerWaalsContact C-N 3.33Å; L618-S620 PolarHBondContact O-N 2.98Å; L618-H621 PolarHBondContact O-N 2.78Å; L618-R622 WeakPolarHBondContact O-CG 3.48Å
619D62Low68.8Low12 Ų1276.5 Ų76.56%0.06438%0.381CS..Hα-helixtrans-67.6-31.9-178.6-75.1-18.2000112.8R615 D616 R622 L627R615-D619 IonicContact NE-OD2 2.67Å; R615-D619 PolarHBondContact NE-OD2 2.71Å; R615-D619 WeakPolarHBondContact O-CB 3.43Å; R615-D619 PolarHBondContact O-N 2.96Å; D616-D619 PolarHBondContact O-N 2.86Å; D619-R622 IonicContact OD1-CZ 2.68Å; D619-R622 VanDerWaalsContact OD1-CZ 3.3Å; D619-R622 IonicContact OD1-NE 3.79Å; D619-R622 PolarHBondContact OD1-NE 2.72Å; D619-R622 IonicContact OD1-NH2 3.83Å; D619-R622 PolarHBondContact OD1-NH2 2.84Å; D619-L627 HydrophobicContact CB-CB 4.34Å; D619-L627 HydrophobicContact CB-CD2 4.45Å; D619-L627 PolarHBondContact O-N 3.02Å
620S70.3Confident69Low49 Ų4974.4 Ų74.434%0.34337%0.373SS..Hα-helixtrans-81.2-22.8177.852.10000114.5D616 Y617 L618D616-S620 WeakPolarHBondContact O-CB 3.39Å; D616-S620 PolarHBondContact O-N 2.81Å; D616-S620 PolarHBondContact O-OG 3.03Å; Y617-S620 PolarHBondContact O-N 3.1Å; Y617-S620 PolarHBondContact O-OG 2.83Å; L618-S620 VanDerWaalsContact C-N 3.33Å; L618-S620 PolarHBondContact O-N 2.98Å
621H71Confident69.5Low119 Ų11977.1 Ų77.155%0.55139%0.386SS*.SBendtrans-107.216.7-174.8-65.772.9000114.2Y617 L618Y617-H621 AromaticContact CD2-CE1 3.53Å; Y617-H621 AromaticContact CD2-ND1 3.73Å; Y617-H621 AromaticContact CE2-CE1 3.39Å; Y617-H621 WeakPolarHBondContact CE2-CE1 3.39Å; Y617-H621 AromaticContact CE2-ND1 3.76Å; Y617-H621 AromaticContact CE2-NE2 3.6Å; Y617-H621 WeakPolarHBondContact O-CB 3.47Å; Y617-H621 PolarHBondContact O-N 3.31Å; Y617-H621 PolarHBondContact O-ND1 3.3Å; L618-H621 PolarHBondContact O-N 2.78Å
622R64.5Low70.7Confident116 Ų11679.6 Ų79.644%0.43840%0.395SS..  trans-72.7147.9176.4-54.1-166.4-175.3-1511.5111.8L618 D619L618-R622 WeakPolarHBondContact O-CG 3.48Å; D619-R622 IonicContact OD1-CZ 2.68Å; D619-R622 VanDerWaalsContact OD1-CZ 3.3Å; D619-R622 IonicContact OD1-NE 3.79Å; D619-R622 PolarHBondContact OD1-NE 2.72Å; D619-R622 IonicContact OD1-NH2 3.83Å; D619-R622 PolarHBondContact OD1-NH2 2.84Å
623E57.9Low71.7Confident200 Ų20079.2 Ų79.294%0.93540%0.395SS*.SBendtrans-70.5-35.9177.2-69-170.6163.700113.1
624V51Low72.5Confident119 Ų11979.9 Ų79.972%0.72139%0.391SS*.SBendtrans-113.8128.4-177.9-175.40000109.7
625S61.6Low73.7Confident35 Ų3581.1 Ų81.125%0.24540%0.4CS..SBendtrans48.155.3-178.8-65.40000114.4D566D566-S625 VanDerWaalsContact OD2-CB 3.32Å; D566-S625 WeakPolarHBondContact OD2-CB 3.36Å; D566-S625 PolarHBondContact OD2-OG 2.86Å
626P65.7Low74.9Confident32 Ų3276.2 Ų76.221%0.20838%0.382CS..  trans-60.4149.5175.928.2-36.4000111.1I628P626-I628 VanDerWaalsContact C-N 3.34Å; P626-I628 HydrophobicContact CB-CD1 3.87Å; P626-I628 HydrophobicContact CB-CG1 3.84Å; P626-I628 HydrophobicContact CG-CD1 3.36Å; P626-I628 HydrophobicContact CG-CG1 3.78Å; P626-I628 PolarHBondContact O-N 3.09Å
627L74.1Confident75.9Confident59 Ų5978.5 Ų78.531%0.30939%0.394SS..  trans-70.791.5172.9-177.266.7000109.6R565 F580 D619R565-L627 HydrophobicContact CB-CD1 4.31Å; R565-L627 HydrophobicContact CG-CD1 4.33Å; F580-L627 HydrophobicContact CE2-CD1 4.06Å; F580-L627 HydrophobicContact CE2-CG 4.37Å; F580-L627 HydrophobicContact CZ-CD1 4.36Å; F580-L627 HydrophobicContact CZ-CG 4.22Å; D619-L627 HydrophobicContact CB-CB 4.34Å; D619-L627 HydrophobicContact CB-CD2 4.45Å; D619-L627 PolarHBondContact O-N 3.02Å
628I78.3Confident76.8Confident94 Ų9472.3 Ų72.348%0.48237%0.371SS..  trans-125.2137.5-178.4-59.3-178.9000109.4T569 P626 A630T569-I628 WeakPolarHBondContact CG2-O 3Å; P626-I628 VanDerWaalsContact C-N 3.34Å; P626-I628 HydrophobicContact CB-CD1 3.87Å; P626-I628 HydrophobicContact CB-CG1 3.84Å; P626-I628 HydrophobicContact CG-CD1 3.36Å; P626-I628 HydrophobicContact CG-CG1 3.78Å; P626-I628 PolarHBondContact O-N 3.09Å; I628-A630 PolarHBondContact O-N 3.3Å
629Q86.3Confident78.3Confident75 Ų7572.6 Ų72.635%0.3538%0.375SS..  trans-67125.3170.3-179.7178.2-1.700110.1F580 A633F580-Q629 HydrophobicContact CB-CB 4.3Å; F580-Q629 HydrophobicContact CB-CG 3.79Å; F580-Q629 HydrophobicContact CD1-CB 3.85Å; F580-Q629 HydrophobicContact CD1-CG 4.12Å; F580-Q629 HydrophobicContact CD2-CB 3.93Å; F580-Q629 HydrophobicContact CD2-CG 4.31Å; F580-Q629 HydrophobicContact CE1-CB 4.1Å; F580-Q629 HydrophobicContact CE2-CB 4.17Å; F580-Q629 HydrophobicContact CG-CB 3.76Å; F580-Q629 HydrophobicContact CG-CG 3.82Å; F580-Q629 HydrophobicContact CZ-CB 4.25Å; Q629-A633 HydrophobicContact CG-CB 4.06Å; Q629-A633 PolarHBondContact NE2-O 2.7Å
630A87.2Confident79.6Confident11 Ų1174.7 Ų74.79%0.09140%0.399CS..  trans-63.3143.117000000110.5T569 K578 I628 D632 A633T569-A630 HydrophobicContact CG2-CB 3.91Å; K578-A630 HydrophobicContact CD-CB 4.08Å; I628-A630 PolarHBondContact O-N 3.3Å; A630-D632 PolarHBondContact O-N 2.93Å; A630-A633 HydrophobicContact CB-CB 4.12Å; A630-A633 VanDerWaalsContact O-CB 3.32Å; A630-A633 WeakPolarHBondContact O-CB 3.32Å; A630-A633 PolarHBondContact O-N 3.45Å
631E87.2Confident80.5Confident207 Ų20774.6 Ų74.697%0.96739%0.394SS*.THydrogen-bonded Turntrans-55.8-30.4-173.6-65.6-174.5167.400114
632D90.4Very high81.3Confident83 Ų8371.1 Ų71.144%0.44438%0.383SS..THydrogen-bonded Turntrans-993.4-179.663.6-32.3000114K578 A630K578-D632 WeakPolarHBondContact CD-OD1 3.34Å; K578-D632 WeakPolarHBondContact CE-OD2 3.39Å; K578-D632 IonicContact NZ-OD1 2.73Å; K578-D632 PolarHBondContact NZ-OD1 2.93Å; K578-D632 IonicContact NZ-OD2 2.62Å; K578-D632 PolarHBondContact NZ-OD2 3.25Å; A630-D632 PolarHBondContact O-N 2.93Å
633A90.4Very high82.2Confident13 Ų1372 Ų7211%0.10740%0.395CS..PPolyproline II helixtrans-78.2135.9177.800000112.3K578 F580 Q629 A630 L635K578-A633 HydrophobicContact CB-CB 3.74Å; K578-A633 CarbonylContact O-C 3.59Å; K578-A633 WeakPolarHBondContact O-CA 2.98Å; F580-A633 HydrophobicContact CB-CB 4.26Å; Q629-A633 HydrophobicContact CG-CB 4.06Å; Q629-A633 PolarHBondContact NE2-O 2.7Å; A630-A633 HydrophobicContact CB-CB 4.12Å; A630-A633 VanDerWaalsContact O-CB 3.32Å; A630-A633 WeakPolarHBondContact O-CB 3.32Å; A630-A633 PolarHBondContact O-N 3.45Å; A633-L635 PolarHBondContact O-N 3.06Å
634E92.1Very high83.7Confident57 Ų5768.6 Ų68.627%0.26638%0.379SS..EExtended strand (participates in β ladder)trans-77.5119.7171.9-170.6170.6165.100110.3K578 I579 F580 V636 V653K578-E634 PolarHBondContact O-N 3.35Å; I579-E634 CarbonylContact C-O 3.57Å; I579-E634 WeakPolarHBondContact CA-O 3.24Å; F580-E634 PolarHBondContact N-O 2.7Å; E634-V636 PolarHBondContact O-N 3.43Å; E634-V653 HydrophobicContact CB-CG1 4.23Å; E634-V653 HydrophobicContact CG-CG2 4.23Å; E634-V653 WeakPolarHBondContact OE1-CG2 3.21Å; E634-V653 WeakPolarHBondContact OE2-CB 3.49Å; E634-V653 WeakPolarHBondContact OE2-CG1 3.45Å; E634-V653 WeakPolarHBondContact OE2-CG2 3.28Å
635L91.3Very high85.6Confident90 Ų9067.7 Ų67.747%0.47137%0.367SS..EExtended strand (participates in β ladder)trans-72.8121.7173.4-176.970.3000109.7F580 V582 A633F580-L635 HydrophobicContact CD1-CD1 3.69Å; F580-L635 WeakPolarHBondContact O-CA 3.35Å; V582-L635 HydrophobicContact CB-CD1 4.27Å; V582-L635 HydrophobicContact CG1-CD1 3.59Å; V582-L635 HydrophobicContact CG2-CD1 3.67Å; V582-L635 HydrophobicContact CG2-CG 4.18Å; A633-L635 PolarHBondContact O-N 3.06Å
636V90.4Very high86.9Confident3 Ų366.9 Ų66.92%0.01836%0.36CS..EExtended strand (participates in β ladder)trans-117.1106.4172.41770000108.6I579 F580 L581 V582 E634 T638 K649 V653I579-V636 HydrophobicContact CG2-CB 4.2Å; I579-V636 HydrophobicContact CG2-CG2 3.75Å; F580-V636 PolarHBondContact O-N 3.21Å; L581-V636 WeakPolarHBondContact CA-O 3.28Å; L581-V636 HydrophobicContact CD2-CB 3.7Å; L581-V636 HydrophobicContact CD2-CG1 4Å; V582-V636 PolarHBondContact N-O 2.87Å; E634-V636 PolarHBondContact O-N 3.43Å; V636-T638 HydrophobicContact CG1-CG2 4.22Å; V636-T638 PolarHBondContact O-N 2.73Å; V636-K649 HydrophobicContact CG1-CG 3.86Å; V636-K649 HydrophobicContact CG2-CG 4.41Å; V636-V653 HydrophobicContact CG2-CG2 4.3Å
637D91.6Very high88Confident89 Ų8967 Ų6748%0.47636%0.36SS..EExtended strand (participates in β ladder)trans-79.5114171.2-173-4000109.8V582 T639V582-D637 HydrophobicContact CG2-CB 3.82Å; D637-T639 VanDerWaalsContact C-N 3.33Å; D637-T639 WeakPolarHBondContact OD1-CB 3.32Å; D637-T639 PolarHBondContact OD1-N 2.92Å; D637-T639 PolarHBondContact OD1-OG1 3.05Å
638T90.8Very high88.8Confident9 Ų967.8 Ų67.86%0.05537%0.367CS..  trans-915.9-178.5690000112.8L581 V582 A583 R591 V636 G640 M641 V646L581-T638 HydrophobicContact CD1-CG2 4.5Å; L581-T638 HydrophobicContact CD2-CG2 4.15Å; V582-T638 PolarHBondContact O-N 3.38Å; V582-T638 PolarHBondContact O-OG1 2.77Å; A583-T638 WeakPolarHBondContact CB-OG1 3.49Å; R591-T638 PolarHBondContact NH1-OG1 3.44Å; R591-T638 PolarHBondContact NH2-O 3.3Å; V636-T638 HydrophobicContact CG1-CG2 4.22Å; V636-T638 PolarHBondContact O-N 2.73Å; T638-G640 PolarHBondContact O-N 2.92Å; T638-M641 WeakPolarHBondContact O-CB 3.45Å; T638-M641 PolarHBondContact O-N 2.89Å; T638-V646 HydrophobicContact CG2-CB 4.47Å; T638-V646 HydrophobicContact CG2-CG1 3.97Å; T638-V646 HydrophobicContact CG2-CG2 3.63Å
639T89.5Confident89.5Confident53 Ų5367 Ų6733%0.32536%0.361SS..THydrogen-bonded Turntrans-55125.1177.3-57.40000111A583 S584 E587 D637 M641A583-T639 WeakPolarHBondContact CA-OG1 3.42Å; S584-T639 PolarHBondContact N-OG1 2.87Å; E587-T639 HydrophobicContact CB-CG2 4.18Å; D637-T639 VanDerWaalsContact C-N 3.33Å; D637-T639 WeakPolarHBondContact OD1-CB 3.32Å; D637-T639 PolarHBondContact OD1-N 2.92Å; D637-T639 PolarHBondContact OD1-OG1 3.05Å; T639-M641 PolarHBondContact O-N 2.59Å
640G89.4Confident89.7Confident56 Ų5663.6 Ų63.658%0.57735%0.345SS*.THydrogen-bonded Turntrans69.57.4-176.700000116.5E587 T638E587-G640 PolarHBondContact OE2-N 3.45Å; T638-G640 PolarHBondContact O-N 2.92Å
641M89.7Confident89.8Confident47 Ų4768.7 Ų68.723%0.23237%0.365CS..  trans-96.2140.5179.4-62.1179.268.700112.7R591 T638 T639 Q645 V646 K649R591-M641 PolarHBondContact NH2-O 2.9Å; T638-M641 WeakPolarHBondContact O-CB 3.45Å; T638-M641 PolarHBondContact O-N 2.89Å; T639-M641 PolarHBondContact O-N 2.59Å; M641-Q645 HydrophobicContact CB-CB 4.12Å; M641-Q645 VanDerWaalsContact CE-C 3.42Å; M641-Q645 HydrophobicContact CE-CB 3.84Å; M641-Q645 VanDerWaalsContact CE-O 3.29Å; M641-Q645 WeakPolarHBondContact CE-O 3.41Å; M641-V646 HydrophobicContact CB-CG2 3.78Å; M641-V646 HydrophobicContact CE-CG2 4.25Å; M641-V646 HydrophobicContact SD-CG2 4.45Å; M641-K649 HydrophobicContact CE-CB 3.79Å; M641-K649 HydrophobicContact CE-CG 4.34Å
642S87.7Confident90.1Very high45 Ų4563.3 Ų63.332%0.31534%0.34SS..  trans-74.4164.1166.288.80000111.6E644 Q645 V646S642-E644 VanDerWaalsContact C-N 3.25Å; S642-E644 WeakPolarHBondContact CB-OE2 3.18Å; S642-E644 PolarHBondContact O-N 3.44Å; S642-E644 PolarHBondContact OG-N 3.01Å; S642-E644 PolarHBondContact OG-OE2 3.3Å; S642-Q645 WeakPolarHBondContact O-CB 3.38Å; S642-Q645 PolarHBondContact O-N 2.86Å; S642-Q645 VanDerWaalsContact O-N 3.09Å; S642-Q645 PolarHBondContact OG-N 3.4Å; S642-V646 WeakPolarHBondContact O-CG2 3.12Å; S642-V646 PolarHBondContact O-N 3.44Å
643I83.7Confident90.1Very high135 Ų13559.5 Ų59.569%0.69232%0.319SS*.Hα-helixtrans-56.2-42.6176.5-64.3174.2000110.6Q645 V646 V647I643-Q645 VanDerWaalsContact C-N 3.33Å; I643-Q645 PolarHBondContact O-N 3.28Å; I643-V646 PolarHBondContact O-N 2.92Å; I643-V647 HydrophobicContact CG2-CG2 4.46Å; I643-V647 WeakPolarHBondContact O-CG2 3.36Å; I643-V647 PolarHBondContact O-N 3Å
644E88.8Confident90Very high129 Ų12959.8 Ų59.860%0.60332%0.319SS*.Hα-helixtrans-64.5-38.1178.6-57.876-165.100112.1S642 T648S642-E644 VanDerWaalsContact C-N 3.25Å; S642-E644 WeakPolarHBondContact CB-OE2 3.18Å; S642-E644 PolarHBondContact O-N 3.44Å; S642-E644 PolarHBondContact OG-N 3.01Å; S642-E644 PolarHBondContact OG-OE2 3.3Å; E644-T648 WeakPolarHBondContact O-CB 2.95Å; E644-T648 PolarHBondContact O-N 3.23Å; E644-T648 PolarHBondContact O-OG1 3.29Å
645Q91.9Very high89.9Confident100 Ų10063.6 Ų63.647%0.46734%0.337SS..Hα-helixtrans-67.4-41.9176-69.2175.6-48.200111.1M641 S642 I643 T648 K649M641-Q645 HydrophobicContact CB-CB 4.12Å; M641-Q645 VanDerWaalsContact CE-C 3.42Å; M641-Q645 HydrophobicContact CE-CB 3.84Å; M641-Q645 VanDerWaalsContact CE-O 3.29Å; M641-Q645 WeakPolarHBondContact CE-O 3.41Å; S642-Q645 WeakPolarHBondContact O-CB 3.38Å; S642-Q645 PolarHBondContact O-N 2.86Å; S642-Q645 VanDerWaalsContact O-N 3.09Å; S642-Q645 PolarHBondContact OG-N 3.4Å; I643-Q645 VanDerWaalsContact C-N 3.33Å; I643-Q645 PolarHBondContact O-N 3.28Å; Q645-T648 PolarHBondContact O-N 3.44Å; Q645-K649 WeakPolarHBondContact O-CB 3.41Å; Q645-K649 PolarHBondContact O-N 3.49Å
646V88.2Confident89.8Confident17 Ų1763.5 Ų63.510%0.10334%0.344CS..Hα-helixtrans-61.2-48.5175.8174.90000110.2T638 M641 S642 I643 T648 K649 I650T638-V646 HydrophobicContact CG2-CB 4.47Å; T638-V646 HydrophobicContact CG2-CG1 3.97Å; T638-V646 HydrophobicContact CG2-CG2 3.63Å; M641-V646 HydrophobicContact CB-CG2 3.78Å; M641-V646 HydrophobicContact CE-CG2 4.25Å; M641-V646 HydrophobicContact SD-CG2 4.45Å; S642-V646 WeakPolarHBondContact O-CG2 3.12Å; S642-V646 PolarHBondContact O-N 3.44Å; I643-V646 PolarHBondContact O-N 2.92Å; V646-T648 VanDerWaalsContact C-N 3.3Å; V646-T648 PolarHBondContact O-N 3.12Å; V646-K649 PolarHBondContact O-N 3.4Å; V646-I650 HydrophobicContact CG1-CD1 3.78Å; V646-I650 HydrophobicContact CG1-CG1 4.45Å; V646-I650 WeakPolarHBondContact O-CB 3.48Å; V646-I650 VanDerWaalsContact O-CG1 3.29Å; V646-I650 WeakPolarHBondContact O-CG1 3.38Å; V646-I650 PolarHBondContact O-N 3.04Å
647V89Confident89.6Confident36 Ų3668.5 Ų68.522%0.21837%0.365CS..Hα-helixtrans-60.2-40.8176.6171.10000111.5F348 I643 I650 K651F348-V647 HydrophobicContact CE2-CG2 4.12Å; F348-V647 HydrophobicContact CZ-CG2 3.79Å; I643-V647 HydrophobicContact CG2-CG2 4.46Å; I643-V647 WeakPolarHBondContact O-CG2 3.36Å; I643-V647 PolarHBondContact O-N 3Å; V647-I650 PolarHBondContact O-N 2.95Å; V647-K651 HydrophobicContact CG1-CD 4.28Å; V647-K651 VanDerWaalsContact O-CG 3.32Å; V647-K651 WeakPolarHBondContact O-CG 3.44Å; V647-K651 PolarHBondContact O-N 2.98Å
648T92Very high89.3Confident74 Ų7467.4 Ų67.445%0.45438%0.375SS..Hα-helixtrans-63.2-46.8177.1-59.20000110.8E644 Q645 V646 I650 K651 E652E644-T648 WeakPolarHBondContact O-CB 2.95Å; E644-T648 PolarHBondContact O-N 3.23Å; E644-T648 PolarHBondContact O-OG1 3.29Å; Q645-T648 PolarHBondContact O-N 3.44Å; V646-T648 VanDerWaalsContact C-N 3.3Å; V646-T648 PolarHBondContact O-N 3.12Å; T648-I650 VanDerWaalsContact C-N 3.35Å; T648-I650 PolarHBondContact O-N 3.49Å; T648-K651 WeakPolarHBondContact O-CB 3.42Å; T648-K651 PolarHBondContact O-N 2.98Å; T648-K651 VanDerWaalsContact O-N 3.14Å; T648-E652 WeakPolarHBondContact O-CG 3.42Å; T648-E652 PolarHBondContact O-N 3.37Å
649K91.3Very high88.6Confident79 Ų7972.2 Ų72.234%0.34340%0.395SS..Hα-helixtrans-60.5-45.6178.5-176.161.2-179.5172.20111.6V636 M641 Q645 V646 K651 E652 V653V636-K649 HydrophobicContact CG1-CG 3.86Å; V636-K649 HydrophobicContact CG2-CG 4.41Å; M641-K649 HydrophobicContact CE-CB 3.79Å; M641-K649 HydrophobicContact CE-CG 4.34Å; Q645-K649 WeakPolarHBondContact O-CB 3.41Å; Q645-K649 PolarHBondContact O-N 3.49Å; V646-K649 PolarHBondContact O-N 3.4Å; K649-K651 VanDerWaalsContact C-N 3.3Å; K649-K651 PolarHBondContact O-N 2.87Å; K649-E652 IonicContact NZ-OE2 3.93Å; K649-E652 WeakPolarHBondContact O-CB 3.29Å; K649-E652 PolarHBondContact O-N 3.28Å; K649-E652 VanDerWaalsContact O-N 3.12Å; K649-V653 WeakPolarHBondContact O-CG2 3.32Å; K649-V653 PolarHBondContact O-N 3.4Å
650I90.5Very high88.6Confident2 Ų273.2 Ų73.21%0.0140%0.399CS..Hα-helixtrans-60.6-40176.3-70.6173.6000111.4F348 I579 L581 V646 V647 T648 E652 V653 I654F348-I650 HydrophobicContact CB-CG2 3.79Å; F348-I650 HydrophobicContact CD2-CD1 3.59Å; F348-I650 HydrophobicContact CD2-CG2 3.94Å; F348-I650 HydrophobicContact CE2-CD1 3.93Å; F348-I650 HydrophobicContact CG-CG2 4.16Å; I579-I650 HydrophobicContact CD1-CB 4.14Å; I579-I650 HydrophobicContact CD1-CG1 4Å; I579-I650 HydrophobicContact CD1-CG2 3.54Å; L581-I650 HydrophobicContact CD2-CD1 4.26Å; V646-I650 HydrophobicContact CG1-CD1 3.78Å; V646-I650 HydrophobicContact CG1-CG1 4.45Å; V646-I650 WeakPolarHBondContact O-CB 3.48Å; V646-I650 VanDerWaalsContact O-CG1 3.29Å; V646-I650 WeakPolarHBondContact O-CG1 3.38Å; V646-I650 PolarHBondContact O-N 3.04Å; V647-I650 PolarHBondContact O-N 2.95Å; T648-I650 VanDerWaalsContact C-N 3.35Å; T648-I650 PolarHBondContact O-N 3.49Å; I650-E652 PolarHBondContact O-N 3.14Å; I650-V653 WeakPolarHBondContact O-CB 3.24Å; I650-V653 PolarHBondContact O-N 2.9Å; I650-I654 HydrophobicContact CG2-CD1 3.85Å; I650-I654 WeakPolarHBondContact O-CD1 3.45Å; I650-I654 VanDerWaalsContact O-CG1 3.24Å; I650-I654 WeakPolarHBondContact O-CG1 3.42Å; I650-I654 PolarHBondContact O-N 3.39Å
651K90.7Very high88.5Confident118 Ų11874.1 Ų74.151%0.51339%0.389SS..Hα-helixtrans-63.1-39.7173.8-74.8174.3177.5-179.30112.7V647 T648 K649 I654 Q655V647-K651 HydrophobicContact CG1-CD 4.28Å; V647-K651 VanDerWaalsContact O-CG 3.32Å; V647-K651 WeakPolarHBondContact O-CG 3.44Å; V647-K651 PolarHBondContact O-N 2.98Å; T648-K651 WeakPolarHBondContact O-CB 3.42Å; T648-K651 PolarHBondContact O-N 2.98Å; T648-K651 VanDerWaalsContact O-N 3.14Å; K649-K651 VanDerWaalsContact C-N 3.3Å; K649-K651 PolarHBondContact O-N 2.87Å; K651-I654 PolarHBondContact O-N 3.13Å; K651-Q655 WeakPolarHBondContact O-CB 3.29Å; K651-Q655 VanDerWaalsContact O-CG 3.28Å; K651-Q655 WeakPolarHBondContact O-CG 3.41Å; K651-Q655 PolarHBondContact O-N 2.71Å
652E92.4Very high88.4Confident95 Ų9575.6 Ų75.644%0.44440%0.398SS..Hα-helixtrans-62.7-41.9175.3-67.6169.817700111.6T648 K649 I650 Q655 S656T648-E652 WeakPolarHBondContact O-CG 3.42Å; T648-E652 PolarHBondContact O-N 3.37Å; K649-E652 IonicContact NZ-OE2 3.93Å; K649-E652 WeakPolarHBondContact O-CB 3.29Å; K649-E652 PolarHBondContact O-N 3.28Å; K649-E652 VanDerWaalsContact O-N 3.12Å; I650-E652 PolarHBondContact O-N 3.14Å; E652-Q655 PolarHBondContact O-N 3.1Å; E652-S656 WeakPolarHBondContact O-CB 3.18Å; E652-S656 PolarHBondContact O-N 3.04Å
653V90.3Very high88.5Confident2 Ų277.4 Ų77.41%0.01240%0.403CS..Hα-helixtrans-55.8-53.8173.8168.30000110.6V577 I579 E634 V636 K649 I650 Q655 S656 K657V577-V653 HydrophobicContact CG1-CG1 3.87Å; I579-V653 HydrophobicContact CD1-CB 4.38Å; I579-V653 HydrophobicContact CD1-CG1 4.06Å; I579-V653 HydrophobicContact CG1-CG1 4.13Å; E634-V653 HydrophobicContact CB-CG1 4.23Å; E634-V653 HydrophobicContact CG-CG2 4.23Å; E634-V653 WeakPolarHBondContact OE1-CG2 3.21Å; E634-V653 WeakPolarHBondContact OE2-CB 3.49Å; E634-V653 WeakPolarHBondContact OE2-CG1 3.45Å; E634-V653 WeakPolarHBondContact OE2-CG2 3.28Å; V636-V653 HydrophobicContact CG2-CG2 4.3Å; K649-V653 WeakPolarHBondContact O-CG2 3.32Å; K649-V653 PolarHBondContact O-N 3.4Å; I650-V653 WeakPolarHBondContact O-CB 3.24Å; I650-V653 PolarHBondContact O-N 2.9Å; V653-Q655 VanDerWaalsContact C-N 3.33Å; V653-Q655 PolarHBondContact O-N 3.28Å; V653-S656 PolarHBondContact O-N 2.72Å; V653-S656 VanDerWaalsContact O-N 3.13Å; V653-S656 PolarHBondContact O-OG 3.3Å; V653-K657 WeakPolarHBondContact O-CG 3.4Å; V653-K657 PolarHBondContact O-N 3.13Å; V653-K657 VanDerWaalsContact O-N 3.13Å
654I88Confident88.8Confident19 Ų1973.8 Ų73.810%0.09739%0.385CS..Hα-helixtrans-57.4-47.6-179.3-66.9166.6000110.3V577 I650 K651 S656 K657 G658 F659V577-I654 HydrophobicContact CG1-CG1 4.11Å; I650-I654 HydrophobicContact CG2-CD1 3.85Å; I650-I654 WeakPolarHBondContact O-CD1 3.45Å; I650-I654 VanDerWaalsContact O-CG1 3.24Å; I650-I654 WeakPolarHBondContact O-CG1 3.42Å; I650-I654 PolarHBondContact O-N 3.39Å; K651-I654 PolarHBondContact O-N 3.13Å; I654-S656 PolarHBondContact O-N 3.31Å; I654-K657 PolarHBondContact O-N 3.34Å; I654-G658 PolarHBondContact O-N 3.4Å; I654-F659 HydrophobicContact CG2-CB 3.62Å; I654-F659 PolarHBondContact O-N 3.38Å; I654-F659 VanDerWaalsContact O-N 3.1Å
655Q90.4Very high88.8Confident137 Ų13770.1 Ų70.164%0.6437%0.37SS*.Hα-helixtrans-61.8-40177.2-74.31750.500112.9K651 E652 V653 K657 G658 F659K651-Q655 WeakPolarHBondContact O-CB 3.29Å; K651-Q655 VanDerWaalsContact O-CG 3.28Å; K651-Q655 WeakPolarHBondContact O-CG 3.41Å; K651-Q655 PolarHBondContact O-N 2.71Å; E652-Q655 PolarHBondContact O-N 3.1Å; V653-Q655 VanDerWaalsContact C-N 3.33Å; V653-Q655 PolarHBondContact O-N 3.28Å; Q655-K657 PolarHBondContact O-N 3.19Å; Q655-G658 PolarHBondContact O-N 2.88Å; Q655-F659 WeakPolarHBondContact CA-O 3.34Å
656S89.8Confident88.6Confident89 Ų8967.9 Ų67.962%0.62236%0.363SS*.Hα-helixtrans-65.8-27.8179.3800000112.9E652 V653 I654 G658E652-S656 WeakPolarHBondContact O-CB 3.18Å; E652-S656 PolarHBondContact O-N 3.04Å; V653-S656 PolarHBondContact O-N 2.72Å; V653-S656 VanDerWaalsContact O-N 3.13Å; V653-S656 PolarHBondContact O-OG 3.3Å; I654-S656 PolarHBondContact O-N 3.31Å; S656-G658 VanDerWaalsContact C-N 3.29Å
657K86.3Confident88.6Confident108 Ų10871.8 Ų71.847%0.4738%0.383SS..THydrogen-bonded Turntrans-83.7-5.8175.1-64-75.9-176.5165.70112.7V577 V653 I654 Q655 F659V577-K657 HydrophobicContact CG2-CB 3.95Å; V577-K657 HydrophobicContact CG2-CG 4.2Å; V653-K657 WeakPolarHBondContact O-CG 3.4Å; V653-K657 PolarHBondContact O-N 3.13Å; V653-K657 VanDerWaalsContact O-N 3.13Å; I654-K657 PolarHBondContact O-N 3.34Å; Q655-K657 PolarHBondContact O-N 3.19Å; K657-F659 HydrophobicContact CB-CD2 3.87Å; K657-F659 HydrophobicContact CB-CE2 4.18Å; K657-F659 WeakPolarHBondContact O-CE2 3.5Å
658G84.4Confident88.6Confident66 Ų6674.8 Ų74.868%0.6840%0.397SS*.THydrogen-bonded Turntrans95.219175.200000115.2I654 Q655 S656I654-G658 PolarHBondContact O-N 3.4Å; Q655-G658 PolarHBondContact O-N 2.88Å; S656-G658 VanDerWaalsContact C-N 3.29Å
659F76.7Confident88.3Confident109 Ų10974.9 Ų74.948%0.47839%0.392SS..  trans-111.80-176.6-62.6-78.2000113.8E576 V577 I654 Q655 K657E576-F659 HydrophobicContact CB-CE1 4.21Å; E576-F659 HydrophobicContact CB-CE2 3.7Å; E576-F659 HydrophobicContact CB-CZ 3.53Å; E576-F659 HydrophobicContact CG-CE1 4.24Å; E576-F659 HydrophobicContact CG-CE2 4.44Å; E576-F659 HydrophobicContact CG-CZ 3.77Å; E576-F659 WeakPolarHBondContact OE1-CE1 3.39Å; E576-F659 WeakPolarHBondContact OE2-CE1 3.3Å; E576-F659 WeakPolarHBondContact OE2-CZ 3.46Å; V577-F659 HydrophobicContact CG2-CD2 3.71Å; V577-F659 HydrophobicContact CG2-CE2 4.19Å; V577-F659 HydrophobicContact CG2-CG 4.48Å; I654-F659 HydrophobicContact CG2-CB 3.62Å; I654-F659 PolarHBondContact O-N 3.38Å; I654-F659 VanDerWaalsContact O-N 3.1Å; Q655-F659 WeakPolarHBondContact CA-O 3.34Å; K657-F659 HydrophobicContact CB-CD2 3.87Å; K657-F659 HydrophobicContact CB-CE2 4.18Å; K657-F659 WeakPolarHBondContact O-CE2 3.5Å

Retrieved 659 of 659 residues in 520 ms (Link to these results)

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