A0A087X3F0_POEFO Loading...

Transmembrane protein 129, E3 ubiquitin protein ligase

AlphaFold DB , UniProt , Accession A0A087X3F0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 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
1M43.7Very low80.6Confident244 Ų24495.8 Ų95.8100%1.20252%0.52SS*.  0113.60-103.3157.264.800107.1
2E61Low81.6Confident182 Ų18290.9 Ų90.985%0.8549%0.488SS*.  trans-55.3131.1-178.7-64.3161.1162.200109.1P4E2-P4 WeakPolarHBondContact O-CD 3.43Å; E2-P4 VanDerWaalsContact O-N 3.12Å
3N77.9Confident82.4Confident89 Ų8989.5 Ų89.548%0.47649%0.485SS..  trans-72.5103.2175.2-172-18.6000107.2E5 L6 S7N3-E5 PolarHBondContact O-N 3.17Å; N3-E5 VanDerWaalsContact O-N 3.17Å; N3-E5 WeakPolarHBondContact OD1-CB 3.36Å; N3-E5 WeakPolarHBondContact OD1-CG 3.41Å; N3-E5 PolarHBondContact OD1-N 3.12Å; N3-L6 HydrophobicContact CB-CB 4Å; N3-L6 PolarHBondContact O-N 3.2Å; N3-S7 PolarHBondContact O-N 2.79Å; N3-S7 VanDerWaalsContact O-N 3.1Å
4P80.9Confident83Confident66 Ų6689.6 Ų89.643%0.42949%0.49SS..Hα-helixtrans-62.1-29.6-170.327.4-34.5000111.2E2 F8E2-P4 WeakPolarHBondContact O-CD 3.43Å; E2-P4 VanDerWaalsContact O-N 3.12Å; P4-F8 VanDerWaalsContact O-CB 3.29Å; P4-F8 WeakPolarHBondContact O-CB 3.25Å; P4-F8 PolarHBondContact O-N 3.38Å
5E84.1Confident83.5Confident36 Ų3690.7 Ų90.717%0.16849%0.488CS..Hα-helixtrans-64.7-43.5176-44.9-170.3141.100112.6N3 T9 M74 A78 K81N3-E5 PolarHBondContact O-N 3.17Å; N3-E5 VanDerWaalsContact O-N 3.17Å; N3-E5 WeakPolarHBondContact OD1-CB 3.36Å; N3-E5 WeakPolarHBondContact OD1-CG 3.41Å; N3-E5 PolarHBondContact OD1-N 3.12Å; E5-T9 VanDerWaalsContact O-CB 3.24Å; E5-T9 WeakPolarHBondContact O-CB 3.33Å; E5-T9 PolarHBondContact O-N 3.17Å; E5-T9 PolarHBondContact O-OG1 2.87Å; E5-M74 HydrophobicContact CB-CE 4.21Å; E5-A78 HydrophobicContact CG-CB 3.91Å; E5-A78 WeakPolarHBondContact OE1-CB 3.37Å; E5-K81 WeakPolarHBondContact OE1-CD 3.23Å; E5-K81 WeakPolarHBondContact OE1-CE 3.49Å; E5-K81 IonicContact OE1-NZ 3.78Å; E5-K81 PolarHBondContact OE1-NZ 2.94Å; E5-K81 IonicContact OE2-NZ 3.93Å; E5-K81 PolarHBondContact OE2-NZ 3.41Å
6L86.1Confident84Confident104 Ų10486.1 Ų86.155%0.54547%0.466SS..Hα-helixtrans-68.7-44.3179.7-17669.7000109.9N3 T9 L10N3-L6 HydrophobicContact CB-CB 4Å; N3-L6 PolarHBondContact O-N 3.2Å; L6-T9 PolarHBondContact O-N 3.1Å; L6-L10 HydrophobicContact CD1-CD1 4.5Å; L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 2.82Å
7S88.3Confident84.3Confident73 Ų7385.4 Ų85.451%0.5147%0.465SS..Hα-helixtrans-60.5-48.5176.4-173.50000111.3N3 T9 L10 A11N3-S7 PolarHBondContact O-N 2.79Å; N3-S7 VanDerWaalsContact O-N 3.1Å; S7-T9 PolarHBondContact O-N 3.14Å; S7-L10 PolarHBondContact O-N 3.47Å; S7-A11 WeakPolarHBondContact O-CB 3.47Å; S7-A11 PolarHBondContact O-N 3.47Å
8F90Very high84.4Confident54 Ų5481.8 Ų81.824%0.23745%0.447CS..Hα-helixtrans-61.4-44.8176.2179.8-93.2000112P4 L10 A11 Y12 Y70 G73 M74 A77P4-F8 VanDerWaalsContact O-CB 3.29Å; P4-F8 WeakPolarHBondContact O-CB 3.25Å; P4-F8 PolarHBondContact O-N 3.38Å; F8-L10 PolarHBondContact O-N 3.08Å; F8-A11 PolarHBondContact O-N 3.13Å; F8-Y12 HydrophobicContact CE1-CD2 4.23Å; F8-Y12 HydrophobicContact CE1-CG 4.36Å; F8-Y12 AromaticContact CZ-CD2 3.81Å; F8-Y12 HydrophobicContact CZ-CD2 3.81Å; F8-Y12 HydrophobicContact CZ-CG 4.35Å; F8-Y12 VanDerWaalsContact O-CB 3.27Å; F8-Y12 WeakPolarHBondContact O-CB 3.43Å; F8-Y12 PolarHBondContact O-N 2.86Å; F8-Y70 HydrophobicContact CD1-CE2 4.24Å; F8-Y70 AromaticContact CE1-CD2 3.97Å; F8-Y70 HydrophobicContact CE1-CD2 3.97Å; F8-Y70 HydrophobicContact CE1-CE2 4.06Å; F8-G73 VanDerWaalsContact CZ-CA 3.49Å; F8-M74 HydrophobicContact CD1-CG 4.03Å; F8-M74 HydrophobicContact CD1-SD 3.48Å; F8-M74 WeakPolarHBondContact CD1-SD 3.41Å; F8-M74 HydrophobicContact CE1-CG 3.94Å; F8-M74 HydrophobicContact CE1-SD 4.03Å; F8-M74 HydrophobicContact CG-SD 4.46Å; F8-A77 HydrophobicContact CB-CB 3.85Å; F8-A77 HydrophobicContact CD1-CB 4.19Å; F8-A77 HydrophobicContact CD2-CB 3.91Å; F8-A77 HydrophobicContact CG-CB 3.69Å
9T91Very high84.5Confident39 Ų3979.5 Ų79.524%0.23943%0.434CS..Hα-helixtrans-63.7-42-179.3-60.60000111.8E5 L6 S7 T13 Y70E5-T9 VanDerWaalsContact O-CB 3.24Å; E5-T9 WeakPolarHBondContact O-CB 3.33Å; E5-T9 PolarHBondContact O-N 3.17Å; E5-T9 PolarHBondContact O-OG1 2.87Å; L6-T9 PolarHBondContact O-N 3.1Å; S7-T9 PolarHBondContact O-N 3.14Å; T9-T13 VanDerWaalsContact O-CB 3.3Å; T9-T13 WeakPolarHBondContact O-CB 3.46Å; T9-T13 PolarHBondContact O-N 3.41Å; T9-T13 PolarHBondContact O-OG1 2.95Å; T9-Y70 HydrophobicContact CG2-CE2 4.07Å; T9-Y70 WeakPolarHBondContact CG2-OH 3.5Å; T9-Y70 PolarHBondContact OG1-OH 3.44Å
10L91.9Very high84.6Confident106 Ų10678.3 Ų78.356%0.55543%0.426SS*.Hα-helixtrans-63.1-49.3174.7-73168.5000111L6 S7 F8 Y12 T13 V14L6-L10 HydrophobicContact CD1-CD1 4.5Å; L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 2.82Å; S7-L10 PolarHBondContact O-N 3.47Å; F8-L10 PolarHBondContact O-N 3.08Å; L10-Y12 PolarHBondContact O-N 3.32Å; L10-T13 PolarHBondContact O-N 2.93Å; L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 2.81Å
11A91.6Very high84.6Confident61 Ų6181.9 Ų81.950%0.50444%0.438SS..Hα-helixtrans-60.2-44.2178.600000112.2S7 F8 V14 F15S7-A11 WeakPolarHBondContact O-CB 3.47Å; S7-A11 PolarHBondContact O-N 3.47Å; F8-A11 PolarHBondContact O-N 3.13Å; A11-V14 PolarHBondContact O-N 3.37Å; A11-F15 WeakPolarHBondContact O-CB 3.31Å; A11-F15 PolarHBondContact O-N 3.35Å
12Y92.9Very high86.4Confident37 Ų3772.1 Ų72.115%0.14539%0.393CS..Hα-helixtrans-66.6-38.6177.9-166.4-85.1000112F8 L10 F15 A16 L66 Y70F8-Y12 HydrophobicContact CE1-CD2 4.23Å; F8-Y12 HydrophobicContact CE1-CG 4.36Å; F8-Y12 AromaticContact CZ-CD2 3.81Å; F8-Y12 HydrophobicContact CZ-CD2 3.81Å; F8-Y12 HydrophobicContact CZ-CG 4.35Å; F8-Y12 VanDerWaalsContact O-CB 3.27Å; F8-Y12 WeakPolarHBondContact O-CB 3.43Å; F8-Y12 PolarHBondContact O-N 2.86Å; L10-Y12 PolarHBondContact O-N 3.32Å; Y12-F15 HydrophobicContact CE2-CD1 4.41Å; Y12-F15 WeakPolarHBondContact O-CB 3.25Å; Y12-F15 PolarHBondContact O-N 3.43Å; Y12-A16 HydrophobicContact CD1-CB 4.48Å; Y12-A16 HydrophobicContact CE1-CB 4.3Å; Y12-A16 WeakPolarHBondContact O-CB 3.24Å; Y12-A16 PolarHBondContact O-N 3.43Å; Y12-L66 PolarHBondContact OH-O 2.81Å; Y12-Y70 AromaticContact CD1-CD2 3.56Å; Y12-Y70 HydrophobicContact CD1-CD2 3.56Å; Y12-Y70 HydrophobicContact CD1-CG 4.11Å; Y12-Y70 HydrophobicContact CD2-CD2 4.47Å; Y12-Y70 HydrophobicContact CE1-CD2 4.18Å; Y12-Y70 HydrophobicContact CE1-CG 4.3Å; Y12-Y70 AromaticContact CG-CD2 3.76Å; Y12-Y70 HydrophobicContact CG-CD2 3.76Å; Y12-Y70 PolarHBondContact OH-N 3.43Å
13T91.8Very high87.3Confident72 Ų7265.3 Ų65.344%0.44236%0.364SS..Hα-helixtrans-63.6-45.3176.5-58.70000110.6T9 L10 F15 A16 V17T9-T13 VanDerWaalsContact O-CB 3.3Å; T9-T13 WeakPolarHBondContact O-CB 3.46Å; T9-T13 PolarHBondContact O-N 3.41Å; T9-T13 PolarHBondContact O-OG1 2.95Å; L10-T13 PolarHBondContact O-N 2.93Å; T13-F15 VanDerWaalsContact C-N 3.34Å; T13-F15 PolarHBondContact O-N 2.9Å; T13-A16 PolarHBondContact O-N 3.2Å; T13-V17 HydrophobicContact CG2-CG2 4.45Å; T13-V17 WeakPolarHBondContact O-CB 3.45Å; T13-V17 VanDerWaalsContact O-CG2 3.27Å; T13-V17 WeakPolarHBondContact O-CG2 3.38Å; T13-V17 PolarHBondContact O-N 3.02Å
14V91.3Very high87.3Confident92 Ų9264.8 Ų64.856%0.55836%0.361SS*.Hα-helixtrans-59.8-46.8174.3173.40000110.3L10 A11 A16 V17 C18L10-V14 WeakPolarHBondContact O-CG2 3.32Å; L10-V14 PolarHBondContact O-N 2.81Å; A11-V14 PolarHBondContact O-N 3.37Å; V14-A16 PolarHBondContact O-N 3.49Å; V14-V17 PolarHBondContact O-N 3.27Å; V14-C18 WeakPolarHBondContact O-CB 3.34Å; V14-C18 PolarHBondContact O-N 3.01Å; V14-C18 PolarHBondContact O-SG 3.26Å
15F90.3Very high87.4Confident106 Ų10668.1 Ų68.147%0.46537%0.371SS..Hα-helixtrans-57.5-48.1176172.1-99.2000112.6A11 Y12 T13 V17 C18 L19 L66A11-F15 WeakPolarHBondContact O-CB 3.31Å; A11-F15 PolarHBondContact O-N 3.35Å; Y12-F15 HydrophobicContact CE2-CD1 4.41Å; Y12-F15 WeakPolarHBondContact O-CB 3.25Å; Y12-F15 PolarHBondContact O-N 3.43Å; T13-F15 VanDerWaalsContact C-N 3.34Å; T13-F15 PolarHBondContact O-N 2.9Å; F15-V17 PolarHBondContact O-N 3.36Å; F15-C18 PolarHBondContact O-N 2.91Å; F15-L19 HydrophobicContact CE1-CD1 3.99Å; F15-L19 HydrophobicContact CE2-CD1 4.39Å; F15-L19 HydrophobicContact CZ-CD1 3.67Å; F15-L19 WeakPolarHBondContact O-CB 3.41Å; F15-L19 PolarHBondContact O-N 2.84Å; F15-L66 HydrophobicContact CE1-CD2 4.37Å
16A91Very high87.1Confident16 Ų1670.1 Ų70.113%0.13238%0.379CS..Hα-helixtrans-63.4-41.717900000111.8Y12 T13 V14 L19 I20 L66Y12-A16 HydrophobicContact CD1-CB 4.48Å; Y12-A16 HydrophobicContact CE1-CB 4.3Å; Y12-A16 WeakPolarHBondContact O-CB 3.24Å; Y12-A16 PolarHBondContact O-N 3.43Å; T13-A16 PolarHBondContact O-N 3.2Å; V14-A16 PolarHBondContact O-N 3.49Å; A16-L19 PolarHBondContact O-N 3.35Å; A16-I20 VanDerWaalsContact O-CG1 3.28Å; A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 2.79Å; A16-L66 HydrophobicContact CB-CD1 4.29Å
17V89.1Confident86.7Confident74 Ų7468.4 Ų68.445%0.44837%0.366SS..Hα-helixtrans-63.4-45.5175170.40000110.7T13 V14 F15 L19 I20 F21T13-V17 HydrophobicContact CG2-CG2 4.45Å; T13-V17 WeakPolarHBondContact O-CB 3.45Å; T13-V17 VanDerWaalsContact O-CG2 3.27Å; T13-V17 WeakPolarHBondContact O-CG2 3.38Å; T13-V17 PolarHBondContact O-N 3.02Å; V14-V17 PolarHBondContact O-N 3.27Å; F15-V17 PolarHBondContact O-N 3.36Å; V17-L19 VanDerWaalsContact C-N 3.27Å; V17-L19 PolarHBondContact O-N 2.95Å; V17-I20 PolarHBondContact O-N 3.17Å; V17-F21 HydrophobicContact CG1-CD2 4.41Å; V17-F21 WeakPolarHBondContact O-CA 3.09Å; V17-F21 WeakPolarHBondContact O-CB 3.47Å; V17-F21 PolarHBondContact O-N 3.23Å
18C86.6Confident86.1Confident22 Ų2269.2 Ų69.215%0.14938%0.377CS..Hα-helixtrans-64.6-30.6176.2-68.30000112.6V14 F15 F21 T22 F26V14-C18 WeakPolarHBondContact O-CB 3.34Å; V14-C18 PolarHBondContact O-N 3.01Å; V14-C18 PolarHBondContact O-SG 3.26Å; F15-C18 PolarHBondContact O-N 2.91Å; C18-F21 CarbonylContact O-C 3.43Å; C18-T22 WeakPolarHBondContact O-CA 3.38Å; C18-T22 PolarHBondContact O-N 2.69Å; C18-F26 HydrophobicContact CB-CE1 4.21Å; C18-F26 HydrophobicContact CB-CE2 4.48Å; C18-F26 HydrophobicContact CB-CZ 4.17Å
19L86.3Confident85.6Confident37 Ų3770 Ų7019%0.19439%0.393CS..Hα-helixtrans-74.9-41.5177.7-165145.8000111.4F15 A16 V17 I33 I62 H63 L66F15-L19 HydrophobicContact CE1-CD1 3.99Å; F15-L19 HydrophobicContact CE2-CD1 4.39Å; F15-L19 HydrophobicContact CZ-CD1 3.67Å; F15-L19 WeakPolarHBondContact O-CB 3.41Å; F15-L19 PolarHBondContact O-N 2.84Å; A16-L19 PolarHBondContact O-N 3.35Å; V17-L19 VanDerWaalsContact C-N 3.27Å; V17-L19 PolarHBondContact O-N 2.95Å; L19-I33 HydrophobicContact CD2-CD1 3.91Å; L19-I62 HydrophobicContact CD2-CG2 3.87Å; L19-H63 VanDerWaalsContact CD2-CD2 3.43Å; L19-H63 WeakPolarHBondContact CD2-CD2 3.41Å; L19-L66 HydrophobicContact CD1-CD2 4.4Å; L19-L66 HydrophobicContact CD2-CD1 4.3Å; L19-L66 HydrophobicContact CD2-CD2 4.31Å
20I86.1Confident85Confident55 Ų5569.5 Ų69.528%0.28240%0.396SS..Hα-helixtrans-73.7-44.2177.8-64.4167.1000111.5A16 V17 L66A16-I20 VanDerWaalsContact O-CG1 3.28Å; A16-I20 WeakPolarHBondContact O-CG1 3.35Å; A16-I20 PolarHBondContact O-N 2.79Å; V17-I20 PolarHBondContact O-N 3.17Å; I20-L66 HydrophobicContact CD1-CD1 3.83Å; I20-L66 HydrophobicContact CG1-CD1 3.83Å
21F83.8Confident84.2Confident154 Ų15470 Ų7068%0.67540%0.399SS*.SBendtrans-115.779.1179.6-61.5-77000108.9V17 C18 P23V17-F21 HydrophobicContact CG1-CD2 4.41Å; V17-F21 WeakPolarHBondContact O-CA 3.09Å; V17-F21 WeakPolarHBondContact O-CB 3.47Å; V17-F21 PolarHBondContact O-N 3.23Å; C18-F21 CarbonylContact O-C 3.43Å; F21-P23 WeakPolarHBondContact O-CD 3.44Å
22T81.8Confident83.8Confident40 Ų4067.8 Ų67.825%0.24538%0.379CS..  trans-63.7110.7-176.5-43.90000111.4C18 F26 R27 T32C18-T22 WeakPolarHBondContact O-CA 3.38Å; C18-T22 PolarHBondContact O-N 2.69Å; T22-F26 HydrophobicContact CG2-CB 3.7Å; T22-R27 PolarHBondContact O-NH2 3.49Å; T22-T32 HydrophobicContact CG2-CG2 4.23Å
23P81.4Confident83.3Confident39 Ų3967.4 Ų67.425%0.25338%0.379SS..  trans-71.6165.7179.435.6-38.8000110F21 E25 F26 R27F21-P23 WeakPolarHBondContact O-CD 3.44Å; P23-E25 WeakPolarHBondContact CB-OE2 3.43Å; P23-E25 PolarHBondContact O-N 3.28Å; P23-F26 HydrophobicContact CG-CB 4.04Å; P23-F26 HydrophobicContact CG-CD2 3.52Å; P23-F26 HydrophobicContact CG-CE2 4.27Å; P23-F26 HydrophobicContact CG-CG 4Å; P23-F26 PolarHBondContact O-N 3.48Å; P23-R27 PolarHBondContact O-N 2.94Å; P23-R27 VanDerWaalsContact O-N 3.11Å
24N77.8Confident82.8Confident77 Ų7766.2 Ų66.241%0.41237%0.368SS..Hα-helixtrans-62.6-33.3-171.6-74.4-17.7000112.2R27 A28N24-R27 WeakPolarHBondContact O-CB 3.19Å; N24-R27 PolarHBondContact O-N 3.19Å; N24-R27 PolarHBondContact OD1-NH1 2.82Å; N24-A28 WeakPolarHBondContact O-CB 3.21Å; N24-A28 PolarHBondContact O-N 3.32Å
25E81.6Confident82.4Confident137 Ų13765.7 Ų65.764%0.6436%0.363SS*.Hα-helixtrans-66.1-44.9179.9-57.874.2-167.900111P23 R27 A28 A29P23-E25 WeakPolarHBondContact CB-OE2 3.43Å; P23-E25 PolarHBondContact O-N 3.28Å; E25-R27 VanDerWaalsContact C-N 3.29Å; E25-R27 PolarHBondContact O-N 3.38Å; E25-A28 PolarHBondContact O-N 3.34Å; E25-A29 WeakPolarHBondContact O-CB 3.39Å; E25-A29 PolarHBondContact O-N 2.86Å
26F78.9Confident82Confident77 Ų7764.2 Ų64.234%0.33837%0.37SS..Hα-helixtrans-66.5-35.8175.4-84.9-115.1000111.2C18 T22 P23 A29 G30 L31C18-F26 HydrophobicContact CB-CE1 4.21Å; C18-F26 HydrophobicContact CB-CE2 4.48Å; C18-F26 HydrophobicContact CB-CZ 4.17Å; T22-F26 HydrophobicContact CG2-CB 3.7Å; P23-F26 HydrophobicContact CG-CB 4.04Å; P23-F26 HydrophobicContact CG-CD2 3.52Å; P23-F26 HydrophobicContact CG-CE2 4.27Å; P23-F26 HydrophobicContact CG-CG 4Å; P23-F26 PolarHBondContact O-N 3.48Å; F26-A29 PolarHBondContact O-N 2.97Å; F26-G30 PolarHBondContact O-N 3.31Å; F26-L31 HydrophobicContact CB-CB 4.5Å; F26-L31 HydrophobicContact CD1-CB 4.06Å; F26-L31 HydrophobicContact CD1-CD1 4.1Å; F26-L31 HydrophobicContact CE1-CD1 4.35Å; F26-L31 PolarHBondContact O-N 3Å
27R77.1Confident81.7Confident68 Ų6867.6 Ų67.626%0.25738%0.382SS..Hα-helixtrans-65.4-45173.8-168.3-176.1-57.6123.49.1111.4T22 P23 N24 E25 A29 G30 T32 V160T22-R27 PolarHBondContact O-NH2 3.49Å; P23-R27 PolarHBondContact O-N 2.94Å; P23-R27 VanDerWaalsContact O-N 3.11Å; N24-R27 WeakPolarHBondContact O-CB 3.19Å; N24-R27 PolarHBondContact O-N 3.19Å; N24-R27 PolarHBondContact OD1-NH1 2.82Å; E25-R27 VanDerWaalsContact C-N 3.29Å; E25-R27 PolarHBondContact O-N 3.38Å; R27-A29 VanDerWaalsContact C-N 3.3Å; R27-A29 PolarHBondContact O-N 2.81Å; R27-G30 WeakPolarHBondContact O-CA 3.49Å; R27-G30 PolarHBondContact O-N 3.33Å; R27-T32 HydrophobicContact CB-CG2 4.41Å; R27-T32 HydrophobicContact CG-CG2 4.17Å; R27-V160 VanDerWaalsContact CZ-CB 3.45Å
28A76.2Confident81.5Confident91 Ų9167 Ų6775%0.75238%0.381SS*.Hα-helixtrans-63-37.1177.500000111.8N24 E25 G30N24-A28 WeakPolarHBondContact O-CB 3.21Å; N24-A28 PolarHBondContact O-N 3.32Å; E25-A28 PolarHBondContact O-N 3.34Å; A28-G30 PolarHBondContact O-N 3.02Å
29A79.3Confident81.4Confident69 Ų6971.7 Ų71.757%0.5741%0.411SS*.THydrogen-bonded Turntrans-73.1-4.4172.800000113.8E25 F26 R27 L31E25-A29 WeakPolarHBondContact O-CB 3.39Å; E25-A29 PolarHBondContact O-N 2.86Å; F26-A29 PolarHBondContact O-N 2.97Å; R27-A29 VanDerWaalsContact C-N 3.3Å; R27-A29 PolarHBondContact O-N 2.81Å; A29-L31 HydrophobicContact CB-CD1 4.17Å; A29-L31 HydrophobicContact CB-CG 4.14Å; A29-L31 PolarHBondContact O-N 2.97Å
30G77.8Confident81.3Confident29 Ų2976 Ų7630%0.29943%0.425SS..THydrogen-bonded Turntrans74.29.3-179.200000114.7F26 R27 A28 T32 N35F26-G30 PolarHBondContact O-N 3.31Å; R27-G30 WeakPolarHBondContact O-CA 3.49Å; R27-G30 PolarHBondContact O-N 3.33Å; A28-G30 PolarHBondContact O-N 3.02Å; G30-T32 PolarHBondContact O-N 2.89Å; G30-N35 VanDerWaalsContact CA-ND2 3.33Å; G30-N35 WeakPolarHBondContact CA-ND2 3.31Å; G30-N35 VanDerWaalsContact O-CB 3.31Å; G30-N35 WeakPolarHBondContact O-CB 3.32Å; G30-N35 PolarHBondContact O-ND2 3.37Å
31L76.7Confident81.4Confident117 Ų11773.5 Ų73.561%0.61341%0.412SS*.  trans-80.356.7-179-63.3174.5000111.6F26 A29F26-L31 HydrophobicContact CB-CB 4.5Å; F26-L31 HydrophobicContact CD1-CB 4.06Å; F26-L31 HydrophobicContact CD1-CD1 4.1Å; F26-L31 HydrophobicContact CE1-CD1 4.35Å; F26-L31 PolarHBondContact O-N 3Å; A29-L31 HydrophobicContact CB-CD1 4.17Å; A29-L31 HydrophobicContact CB-CG 4.14Å; A29-L31 PolarHBondContact O-N 2.97Å
32T82.2Confident81.5Confident15 Ų1567.9 Ų67.99%0.09240%0.398CS..SBendtrans-112.2149.4177.273.50000110.5T22 R27 G30 Q34 N35 A36T22-T32 HydrophobicContact CG2-CG2 4.23Å; R27-T32 HydrophobicContact CB-CG2 4.41Å; R27-T32 HydrophobicContact CG-CG2 4.17Å; G30-T32 PolarHBondContact O-N 2.89Å; T32-Q34 PolarHBondContact O-N 3.39Å; T32-Q34 VanDerWaalsContact O-N 3.16Å; T32-N35 PolarHBondContact O-N 2.87Å; T32-N35 VanDerWaalsContact O-N 3.14Å; T32-N35 WeakPolarHBondContact OG1-CB 3.5Å; T32-N35 PolarHBondContact OG1-N 2.83Å; T32-N35 VanDerWaalsContact OG1-N 3.08Å; T32-N35 PolarHBondContact OG1-ND2 3.47Å; T32-A36 PolarHBondContact O-N 3.12Å
33I81.5Confident81.7Confident29 Ų2968.6 Ų68.615%0.14941%0.405CS..Hα-helixtrans-52.8-36.7171.6-65171.1000110.6L19 F37 L58 T59 I62 H63L19-I33 HydrophobicContact CD2-CD1 3.91Å; I33-F37 HydrophobicContact CG2-CD2 4.32Å; I33-F37 WeakPolarHBondContact O-CD2 3.4Å; I33-F37 PolarHBondContact O-N 3.49Å; I33-L58 HydrophobicContact CG2-CD2 3.95Å; I33-L58 HydrophobicContact CG2-CG 4.22Å; I33-T59 HydrophobicContact CD1-CG2 4.46Å; I33-I62 HydrophobicContact CB-CD1 4.4Å; I33-I62 HydrophobicContact CD1-CB 4.4Å; I33-I62 HydrophobicContact CD1-CD1 4.32Å; I33-I62 HydrophobicContact CD1-CG2 4.03Å; I33-I62 HydrophobicContact CG1-CD1 4.19Å; I33-I62 HydrophobicContact CG1-CG2 4.46Å; I33-I62 HydrophobicContact CG2-CD1 3.44Å; I33-I62 VanDerWaalsContact CG2-CD1 3.44Å; I33-H63 WeakPolarHBondContact CD1-NE2 3.36Å
34Q81.4Confident82Confident46 Ų4668.3 Ų68.322%0.21540%0.4CS..Hα-helixtrans-65.8-42.3-177.9-63.9165.25.800111.8T32 S38 L41 R55T32-Q34 PolarHBondContact O-N 3.39Å; T32-Q34 VanDerWaalsContact O-N 3.16Å; Q34-S38 WeakPolarHBondContact O-CA 3.17Å; Q34-S38 PolarHBondContact O-N 2.83Å; Q34-L41 VanDerWaalsContact O-CD1 3.31Å; Q34-L41 WeakPolarHBondContact O-CD1 3.14Å; Q34-R55 HydrophobicContact CG-CG 4.24Å
35N83.1Confident82.4Confident81 Ų8169.1 Ų69.143%0.43340%0.404SS..Hα-helixtrans-72.5-42.4179-68.6-13.1000111.7G30 T32 F37 S38G30-N35 VanDerWaalsContact CA-ND2 3.33Å; G30-N35 WeakPolarHBondContact CA-ND2 3.31Å; G30-N35 VanDerWaalsContact O-CB 3.31Å; G30-N35 WeakPolarHBondContact O-CB 3.32Å; G30-N35 PolarHBondContact O-ND2 3.37Å; T32-N35 PolarHBondContact O-N 2.87Å; T32-N35 VanDerWaalsContact O-N 3.14Å; T32-N35 WeakPolarHBondContact OG1-CB 3.5Å; T32-N35 PolarHBondContact OG1-N 2.83Å; T32-N35 VanDerWaalsContact OG1-N 3.08Å; T32-N35 PolarHBondContact OG1-ND2 3.47Å; N35-F37 VanDerWaalsContact C-N 3.25Å; N35-F37 PolarHBondContact O-N 3.08Å; N35-S38 WeakPolarHBondContact O-CB 3.43Å; N35-S38 PolarHBondContact O-N 3.23Å; N35-S38 PolarHBondContact O-OG 3.05Å
36A83.4Confident82.6Confident75 Ų7567.8 Ų67.862%0.6240%0.4SS*.Hα-helixtrans-60-35.418000000112.7T32T32-A36 PolarHBondContact O-N 3.12Å
37F84.1Confident83.1Confident87 Ų8767 Ų6738%0.38240%0.399SS..THydrogen-bonded Turntrans-108.719.6179.7-67-89.5000113.3I33 N35 P39 W40 L41 L58 I62I33-F37 HydrophobicContact CG2-CD2 4.32Å; I33-F37 WeakPolarHBondContact O-CD2 3.4Å; I33-F37 PolarHBondContact O-N 3.49Å; N35-F37 VanDerWaalsContact C-N 3.25Å; N35-F37 PolarHBondContact O-N 3.08Å; F37-P39 VanDerWaalsContact C-N 3.32Å; F37-W40 PolarHBondContact O-N 3.45Å; F37-L41 HydrophobicContact CB-CD1 3.9Å; F37-L41 WeakPolarHBondContact O-CB 3.02Å; F37-L41 WeakPolarHBondContact O-CD1 3.16Å; F37-L41 PolarHBondContact O-N 2.82Å; F37-L58 HydrophobicContact CB-CD2 3.41Å; F37-L58 VanDerWaalsContact CB-CD2 3.41Å; F37-L58 HydrophobicContact CD1-CD1 4.21Å; F37-L58 HydrophobicContact CD1-CD2 4.11Å; F37-L58 HydrophobicContact CD2-CD1 4.41Å; F37-L58 HydrophobicContact CD2-CD2 3.69Å; F37-L58 HydrophobicContact CD2-CG 4.46Å; F37-L58 HydrophobicContact CE1-CD1 4.26Å; F37-L58 HydrophobicContact CE2-CD1 4.46Å; F37-L58 HydrophobicContact CE2-CD2 4.48Å; F37-L58 HydrophobicContact CG-CD1 4.29Å; F37-L58 HydrophobicContact CG-CD2 3.47Å; F37-L58 VanDerWaalsContact CG-CD2 3.47Å; F37-L58 HydrophobicContact CG-CG 4.45Å; F37-L58 HydrophobicContact CZ-CD1 4.38Å; F37-I62 HydrophobicContact CD2-CD1 4.16Å; F37-I62 HydrophobicContact CE2-CD1 3.63Å; F37-I62 HydrophobicContact CZ-CD1 4.28Å
38S83.8Confident83.8Confident63 Ų6363.8 Ų63.844%0.44139%0.387SS..Hα-helixtrans-52.9-37.6-177.355.70000114.5Q34 N35 W40 G42Q34-S38 WeakPolarHBondContact O-CA 3.17Å; Q34-S38 PolarHBondContact O-N 2.83Å; N35-S38 WeakPolarHBondContact O-CB 3.43Å; N35-S38 PolarHBondContact O-N 3.23Å; N35-S38 PolarHBondContact O-OG 3.05Å; S38-W40 VanDerWaalsContact C-N 3.3Å; S38-W40 PolarHBondContact O-N 3.24Å; S38-G42 PolarHBondContact O-N 2.84Å
39P84.8Confident84.5Confident120 Ų12059.8 Ų59.878%0.77935%0.353SS*.Hα-helixtrans-66.3-31.4178.7-2034.3000113.2F37F37-P39 VanDerWaalsContact C-N 3.32Å
40W85.7Confident85Confident127 Ų12757 Ų5748%0.48133%0.331SS..Hα-helixtrans-85.1-38-179.6179.280.9000112.4F37 S38 G42 R54 L58F37-W40 PolarHBondContact O-N 3.45Å; S38-W40 VanDerWaalsContact C-N 3.3Å; S38-W40 PolarHBondContact O-N 3.24Å; W40-G42 VanDerWaalsContact C-N 3.26Å; W40-G42 PolarHBondContact O-N 3.28Å; W40-R54 HydrophobicContact CE3-CB 4.33Å; W40-R54 HydrophobicContact CH2-CB 3.71Å; W40-R54 HydrophobicContact CH2-CG 4.1Å; W40-R54 HydrophobicContact CZ2-CB 4.47Å; W40-R54 HydrophobicContact CZ2-CG 4.42Å; W40-R54 HydrophobicContact CZ3-CB 3.62Å; W40-R54 HydrophobicContact CZ3-CG 4.39Å; W40-R54 WeakPolarHBondContact CZ3-O 3.11Å; W40-R54 PolarHBondContact O-NH1 3.07Å; W40-L58 HydrophobicContact CE3-CD2 4.19Å; W40-L58 HydrophobicContact CH2-CB 4.37Å; W40-L58 HydrophobicContact CZ3-CB 3.78Å; W40-L58 HydrophobicContact CZ3-CD2 4.08Å; W40-L58 HydrophobicContact CZ3-CG 4.37Å
41L86.3Confident85.7Confident3 Ų356.5 Ų56.52%0.01632%0.321CS..Hα-helixtrans-62.5-34.5175.1-81.9154.8000112.2Q34 F37 H51 R54 R55 L58Q34-L41 VanDerWaalsContact O-CD1 3.31Å; Q34-L41 WeakPolarHBondContact O-CD1 3.14Å; F37-L41 HydrophobicContact CB-CD1 3.9Å; F37-L41 WeakPolarHBondContact O-CB 3.02Å; F37-L41 WeakPolarHBondContact O-CD1 3.16Å; F37-L41 PolarHBondContact O-N 2.82Å; L41-H51 PolarHBondContact O-ND1 3.31Å; L41-R54 HydrophobicContact CD2-CB 4.36Å; L41-R55 VanDerWaalsContact CD2-CA 3.46Å; L41-R55 HydrophobicContact CD2-CB 3.47Å; L41-R55 VanDerWaalsContact CD2-CB 3.47Å; L41-R55 HydrophobicContact CD2-CG 3.94Å; L41-L58 HydrophobicContact CD1-CD2 4.33Å
42G86.3Confident86.3Confident36 Ų3651 Ų5137%0.37129%0.292SS..  trans71-175.1-173.200000112.3S38 W40 H51S38-G42 PolarHBondContact O-N 2.84Å; W40-G42 VanDerWaalsContact C-N 3.26Å; W40-G42 PolarHBondContact O-N 3.28Å; G42-H51 PolarHBondContact O-ND1 3.21Å; G42-H51 VanDerWaalsContact O-ND1 3.11Å
43S86.6Confident86.7Confident55 Ų5551 Ų5139%0.38529%0.292SS..  trans-84.3127.2-178.9174.40000111.6D45 I46 D47S43-D45 VanDerWaalsContact C-N 3.27Å; S43-D45 PolarHBondContact O-N 3.09Å; S43-D45 PolarHBondContact OG-N 3.08Å; S43-I46 PolarHBondContact O-N 2.93Å; S43-D47 PolarHBondContact O-N 3.01Å
44E88Confident87.2Confident32 Ų3254.3 Ų54.315%0.1530%0.302CS..THydrogen-bonded Turntrans-63.1-33.4173.2-172.6178.7-152.100112.4I46 F48 H52 F150 R164E44-I46 PolarHBondContact O-N 3.14Å; E44-F48 HydrophobicContact CG-CD2 3.84Å; E44-F48 WeakPolarHBondContact O-CA 3.06Å; E44-F48 PolarHBondContact O-N 3.23Å; E44-H52 IonicContact OE1-CE1 2.74Å; E44-H52 PolarHBondContact OE1-CE1 2.94Å; E44-H52 IonicContact OE1-NE2 3.3Å; E44-H52 PolarHBondContact OE1-NE2 2.9Å; E44-F150 HydrophobicContact CG-CE1 4.01Å; E44-F150 HydrophobicContact CG-CZ 4.06Å; E44-R164 IonicContact OE1-CZ 2.64Å; E44-R164 IonicContact OE1-NH2 2.71Å; E44-R164 PolarHBondContact OE1-NH2 2.65Å; E44-R164 IonicContact OE2-CZ 3.86Å; E44-R164 IonicContact OE2-NH1 2.6Å; E44-R164 IonicContact OE2-NH2 3.58Å; E44-R164 PolarHBondContact OE2-NH2 3.11Å
45D85.3Confident87.6Confident95 Ų9552.3 Ų52.351%0.50829%0.293SS..THydrogen-bonded Turntrans-67.5-26.5177.5-61.5-54.2000112.3S43 R151S43-D45 VanDerWaalsContact C-N 3.27Å; S43-D45 PolarHBondContact O-N 3.09Å; S43-D45 PolarHBondContact OG-N 3.08Å; D45-R151 WeakPolarHBondContact O-CG 3.4Å; D45-R151 PolarHBondContact O-NE 2.74Å
46I86Confident88Confident109 Ų10948.6 Ų48.656%0.55927%0.273SS*.THydrogen-bonded Turntrans-83.8-55.8177.9-59.4177.4000109.8S43 E44 R151S43-I46 PolarHBondContact O-N 2.93Å; E44-I46 PolarHBondContact O-N 3.14Å; I46-R151 VanDerWaalsContact O-CZ 3.31Å; I46-R151 PolarHBondContact O-NE 3.36Å; I46-R151 PolarHBondContact O-NH2 3.42Å
47D89.4Confident88.4Confident59 Ų5945 Ų4532%0.31624%0.244SC..  trans-135.184.2-176-177.815.3000110.7S43 I49 G50 H51 N147S43-D47 PolarHBondContact O-N 3.01Å; D47-I49 PolarHBondContact O-N 3.47Å; D47-G50 PolarHBondContact O-N 2.9Å; D47-G50 PolarHBondContact OD1-N 3.15Å; D47-G50 WeakPolarHBondContact OD2-CA 3.17Å; D47-H51 WeakPolarHBondContact O-CB 3.47Å; D47-H51 PolarHBondContact O-N 3.14Å; D47-N147 PolarHBondContact OD1-ND2 2.9Å
48F91.3Very high88.8Confident1 Ų141.8 Ų41.80%0.00423%0.23CC..Hα-helixtrans-57-50.2-177.4175.7-94.2000112.3E44 H52 I146 N147 F150 I166 L173 V175E44-F48 HydrophobicContact CG-CD2 3.84Å; E44-F48 WeakPolarHBondContact O-CA 3.06Å; E44-F48 PolarHBondContact O-N 3.23Å; F48-H52 AromaticContact CD1-CD2 3.97Å; F48-H52 AromaticContact CD2-CD2 3.75Å; F48-H52 AromaticContact CD2-NE2 3.56Å; F48-H52 AromaticContact CE1-CD2 3.65Å; F48-H52 AromaticContact CE2-CD2 3.43Å; F48-H52 VanDerWaalsContact CE2-CD2 3.43Å; F48-H52 WeakPolarHBondContact CE2-CD2 3Å; F48-H52 AromaticContact CE2-NE2 2.99Å; F48-H52 WeakPolarHBondContact CE2-NE2 3.29Å; F48-H52 AromaticContact CZ-CD2 3.37Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.44Å; F48-H52 AromaticContact CZ-NE2 3.28Å; F48-H52 VanDerWaalsContact CZ-NE2 3.28Å; F48-H52 WeakPolarHBondContact CZ-NE2 3.3Å; F48-H52 PolarHBondContact O-CD2 2.57Å; F48-H52 PolarHBondContact O-N 3.14Å; F48-H52 VanDerWaalsContact O-N 3.11Å; F48-I146 HydrophobicContact CD1-CG2 3.8Å; F48-I146 HydrophobicContact CE1-CG2 4.14Å; F48-N147 WeakPolarHBondContact CB-OD1 3.39Å; F48-N147 PolarHBondContact N-OD1 3.36Å; F48-N147 VanDerWaalsContact N-OD1 3.16Å; F48-F150 HydrophobicContact CB-CB 4.3Å; F48-F150 HydrophobicContact CB-CD1 3.97Å; F48-F150 HydrophobicContact CB-CG 4.03Å; F48-F150 AromaticContact CD2-CD1 3.98Å; F48-F150 HydrophobicContact CD2-CD1 3.98Å; F48-F150 AromaticContact CD2-CD2 3.61Å; F48-F150 HydrophobicContact CD2-CD2 3.61Å; F48-F150 AromaticContact CD2-CE1 3.95Å; F48-F150 HydrophobicContact CD2-CE1 3.95Å; F48-F150 AromaticContact CD2-CE2 3.59Å; F48-F150 HydrophobicContact CD2-CE2 3.59Å; F48-F150 AromaticContact CD2-CG 3.82Å; F48-F150 HydrophobicContact CD2-CG 3.82Å; F48-F150 AromaticContact CD2-CZ 3.76Å; F48-F150 HydrophobicContact CD2-CZ 3.76Å; F48-F150 AromaticContact CE2-CD2 3.91Å; F48-F150 HydrophobicContact CE2-CD2 3.91Å; F48-F150 AromaticContact CE2-CE2 3.7Å; F48-F150 HydrophobicContact CE2-CE2 3.7Å; F48-F150 HydrophobicContact CE2-CZ 4.17Å; F48-F150 HydrophobicContact CG-CB 4.49Å; F48-F150 HydrophobicContact CG-CD1 4.3Å; F48-F150 HydrophobicContact CG-CD2 4.17Å; F48-F150 HydrophobicContact CG-CG 4.04Å; F48-I166 HydrophobicContact CE2-CD1 3.59Å; F48-I166 HydrophobicContact CZ-CD1 3.89Å; F48-L173 HydrophobicContact CE1-CD1 3.87Å; F48-L173 HydrophobicContact CZ-CD1 4.03Å; F48-V175 HydrophobicContact CE2-CG2 4.46Å; F48-V175 HydrophobicContact CZ-CG2 4Å
49I91.7Very high89.1Confident8 Ų839.2 Ų39.24%0.04121%0.211CC..Hα-helixtrans-65.4-48.9-179.4-63.3-62.4000111D47 H51 H52 L53 I124 L128 A143 I146 N147 M182D47-I49 PolarHBondContact O-N 3.47Å; I49-H51 PolarHBondContact O-N 3.21Å; I49-H52 PolarHBondContact O-N 2.96Å; I49-L53 HydrophobicContact CG2-CD1 4.11Å; I49-L53 HydrophobicContact CG2-CG 4.43Å; I49-L53 WeakPolarHBondContact O-CG 3.49Å; I49-L53 PolarHBondContact O-N 2.95Å; I49-I124 HydrophobicContact CG2-CG2 4.49Å; I49-L128 HydrophobicContact CD1-CD1 4.39Å; I49-L128 HydrophobicContact CD1-CD2 4.28Å; I49-L128 HydrophobicContact CG2-CD1 3.83Å; I49-A143 HydrophobicContact CB-CB 4.35Å; I49-A143 HydrophobicContact CG1-CB 4.01Å; I49-A143 HydrophobicContact CG2-CB 4.2Å; I49-I146 HydrophobicContact CD1-CD1 4.3Å; I49-I146 HydrophobicContact CD1-CG2 4.08Å; I49-I146 HydrophobicContact CG1-CG2 4.35Å; I49-N147 PolarHBondContact N-OD1 3.22Å; I49-M182 HydrophobicContact CD1-CE 3.81Å
50G90.1Very high89.4Confident10 Ų1035.1 Ų35.110%0.10318%0.184CC..Hα-helixtrans-63.6-40.7-18000000113D47 H52 L53 R54D47-G50 PolarHBondContact O-N 2.9Å; D47-G50 PolarHBondContact OD1-N 3.15Å; D47-G50 WeakPolarHBondContact OD2-CA 3.17Å; G50-H52 VanDerWaalsContact C-N 3.33Å; G50-H52 PolarHBondContact O-N 3.01Å; G50-L53 PolarHBondContact O-N 2.88Å; G50-R54 WeakPolarHBondContact O-CG 3.37Å; G50-R54 PolarHBondContact O-N 3.21Å; G50-R54 VanDerWaalsContact O-N 3.13Å
51H91.3Very high89.7Confident19 Ų1930.1 Ų30.19%0.08817%0.167CC..Hα-helixtrans-56.1-48.1174.1175.687.7000110.7L41 G42 D47 I49 R54 R55L41-H51 PolarHBondContact O-ND1 3.31Å; G42-H51 PolarHBondContact O-ND1 3.21Å; G42-H51 VanDerWaalsContact O-ND1 3.11Å; D47-H51 WeakPolarHBondContact O-CB 3.47Å; D47-H51 PolarHBondContact O-N 3.14Å; I49-H51 PolarHBondContact O-N 3.21Å; H51-R54 PolarHBondContact O-N 2.81Å; H51-R55 VanDerWaalsContact O-CB 3.29Å; H51-R55 WeakPolarHBondContact O-CB 3.42Å; H51-R55 PolarHBondContact O-N 3.1Å
52H90.6Very high90Very high0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-73.6-29.8-178.8-73-45.2000115E44 F48 I49 G50 R55 T56 I124 I180E44-H52 IonicContact OE1-CE1 2.74Å; E44-H52 PolarHBondContact OE1-CE1 2.94Å; E44-H52 IonicContact OE1-NE2 3.3Å; E44-H52 PolarHBondContact OE1-NE2 2.9Å; F48-H52 AromaticContact CD1-CD2 3.97Å; F48-H52 AromaticContact CD2-CD2 3.75Å; F48-H52 AromaticContact CD2-NE2 3.56Å; F48-H52 AromaticContact CE1-CD2 3.65Å; F48-H52 AromaticContact CE2-CD2 3.43Å; F48-H52 VanDerWaalsContact CE2-CD2 3.43Å; F48-H52 WeakPolarHBondContact CE2-CD2 3Å; F48-H52 AromaticContact CE2-NE2 2.99Å; F48-H52 WeakPolarHBondContact CE2-NE2 3.29Å; F48-H52 AromaticContact CZ-CD2 3.37Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.44Å; F48-H52 AromaticContact CZ-NE2 3.28Å; F48-H52 VanDerWaalsContact CZ-NE2 3.28Å; F48-H52 WeakPolarHBondContact CZ-NE2 3.3Å; F48-H52 PolarHBondContact O-CD2 2.57Å; F48-H52 PolarHBondContact O-N 3.14Å; F48-H52 VanDerWaalsContact O-N 3.11Å; I49-H52 PolarHBondContact O-N 2.96Å; G50-H52 VanDerWaalsContact C-N 3.33Å; G50-H52 PolarHBondContact O-N 3.01Å; H52-R55 PolarHBondContact CE1-NH1 2.93Å; H52-R55 PolarHBondContact ND1-NE 3.43Å; H52-R55 PolarHBondContact ND1-NH1 2.91Å; H52-R55 PolarHBondContact ND1-NH2 2.87Å; H52-R55 PolarHBondContact O-N 3.31Å; H52-T56 WeakPolarHBondContact O-CB 3.47Å; H52-T56 WeakPolarHBondContact O-CG2 3.22Å; H52-T56 PolarHBondContact O-N 2.74Å; H52-T56 PolarHBondContact O-OG1 2.73Å; H52-I124 HydrophobicContact CB-CD1 4.09Å; H52-I180 HydrophobicContact CB-CD1 3.39Å; H52-I180 WeakPolarHBondContact CD2-CD1 3.38Å
53L91.1Very high90.2Very high16 Ų1630.8 Ų30.88%0.08416%0.161CC..Hα-helixtrans-59.4-47.4169.6-73.1171.9000111I49 G50 T56 S57 W119 H122 I124I49-L53 HydrophobicContact CG2-CD1 4.11Å; I49-L53 HydrophobicContact CG2-CG 4.43Å; I49-L53 WeakPolarHBondContact O-CG 3.49Å; I49-L53 PolarHBondContact O-N 2.95Å; G50-L53 PolarHBondContact O-N 2.88Å; L53-T56 PolarHBondContact O-OG1 2.7Å; L53-S57 WeakPolarHBondContact O-CB 3.36Å; L53-S57 PolarHBondContact O-N 2.94Å; L53-S57 PolarHBondContact O-OG 3.15Å; L53-W119 HydrophobicContact CB-CE3 4.43Å; L53-W119 HydrophobicContact CD1-CB 4.09Å; L53-W119 HydrophobicContact CD1-CG 4.27Å; L53-W119 HydrophobicContact CD2-CB 4.49Å; L53-H122 HydrophobicContact CD2-CB 3.89Å; L53-H122 VanDerWaalsContact CD2-CG 3.45Å; L53-H122 WeakPolarHBondContact CD2-ND1 3.19Å; L53-I124 HydrophobicContact CD2-CB 3.81Å; L53-I124 HydrophobicContact CD2-CD1 4.21Å; L53-I124 HydrophobicContact CD2-CG2 4.18Å
54R90.7Very high90.5Very high99 Ų9928.5 Ų28.537%0.37415%0.145SC..Hα-helixtrans-65.3-45.3176.6-68.9178.6-163.2174.78111.6W40 L41 G50 H51 S57 L58W40-R54 HydrophobicContact CE3-CB 4.33Å; W40-R54 HydrophobicContact CH2-CB 3.71Å; W40-R54 HydrophobicContact CH2-CG 4.1Å; W40-R54 HydrophobicContact CZ2-CB 4.47Å; W40-R54 HydrophobicContact CZ2-CG 4.42Å; W40-R54 HydrophobicContact CZ3-CB 3.62Å; W40-R54 HydrophobicContact CZ3-CG 4.39Å; W40-R54 WeakPolarHBondContact CZ3-O 3.11Å; W40-R54 PolarHBondContact O-NH1 3.07Å; L41-R54 HydrophobicContact CD2-CB 4.36Å; G50-R54 WeakPolarHBondContact O-CG 3.37Å; G50-R54 PolarHBondContact O-N 3.21Å; G50-R54 VanDerWaalsContact O-N 3.13Å; H51-R54 PolarHBondContact O-N 2.81Å; R54-S57 PolarHBondContact O-N 3.27Å; R54-L58 WeakPolarHBondContact O-CB 3.33Å; R54-L58 PolarHBondContact O-N 3.04Å
55R91.1Very high90.8Very high4 Ų429.1 Ų29.12%0.01515%0.153CC..Hα-helixtrans-60.1-49.3-178.9-167.8-172.573.5167.86.3113.3Q34 L41 H51 H52 S57 L58 T59 P161 T176Q34-R55 HydrophobicContact CG-CG 4.24Å; L41-R55 VanDerWaalsContact CD2-CA 3.46Å; L41-R55 HydrophobicContact CD2-CB 3.47Å; L41-R55 VanDerWaalsContact CD2-CB 3.47Å; L41-R55 HydrophobicContact CD2-CG 3.94Å; H51-R55 VanDerWaalsContact O-CB 3.29Å; H51-R55 WeakPolarHBondContact O-CB 3.42Å; H51-R55 PolarHBondContact O-N 3.1Å; H52-R55 PolarHBondContact CE1-NH1 2.93Å; H52-R55 PolarHBondContact ND1-NE 3.43Å; H52-R55 PolarHBondContact ND1-NH1 2.91Å; H52-R55 PolarHBondContact ND1-NH2 2.87Å; H52-R55 PolarHBondContact O-N 3.31Å; R55-S57 VanDerWaalsContact C-N 3.35Å; R55-L58 PolarHBondContact O-N 3.01Å; R55-T59 WeakPolarHBondContact O-CB 3.47Å; R55-T59 PolarHBondContact O-N 3.07Å; R55-T59 PolarHBondContact O-OG1 3.37Å; R55-P161 PolarHBondContact NH1-O 3.28Å; R55-P161 VanDerWaalsContact NH1-O 3.14Å; R55-T176 PolarHBondContact NH2-O 3.18Å
56T90.8Very high91.1Very high2 Ų225.4 Ų25.41%0.01213%0.133CC..Hα-helixtrans-64.8-41.8-179.647.10000111H52 L53 T59 V60 H122 I124H52-T56 WeakPolarHBondContact O-CB 3.47Å; H52-T56 WeakPolarHBondContact O-CG2 3.22Å; H52-T56 PolarHBondContact O-N 2.74Å; H52-T56 PolarHBondContact O-OG1 2.73Å; L53-T56 PolarHBondContact O-OG1 2.7Å; T56-T59 PolarHBondContact O-N 2.8Å; T56-V60 WeakPolarHBondContact O-CG2 3.41Å; T56-V60 PolarHBondContact O-N 3.42Å; T56-H122 PolarHBondContact OG1-CE1 3.49Å; T56-H122 PolarHBondContact OG1-NE2 3.15Å; T56-I124 HydrophobicContact CG2-CD1 4.17Å
57S91.4Very high91.4Very high1 Ų122 Ų221%0.00712%0.118CC..Hα-helixtrans-61.1-46.2175.4-58.10000112.9L53 R54 R55 V60 L61 W119L53-S57 WeakPolarHBondContact O-CB 3.36Å; L53-S57 PolarHBondContact O-N 2.94Å; L53-S57 PolarHBondContact O-OG 3.15Å; R54-S57 PolarHBondContact O-N 3.27Å; R55-S57 VanDerWaalsContact C-N 3.35Å; S57-V60 PolarHBondContact O-N 3.32Å; S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 3.26Å; S57-L61 VanDerWaalsContact O-N 3.15Å; S57-W119 VanDerWaalsContact OG-CZ3 3.22Å; S57-W119 WeakPolarHBondContact OG-CZ3 3.41Å
58L91.8Very high91.5Very high18 Ų1821.2 Ų21.29%0.09411%0.113CC..Hα-helixtrans-64.1-41.7176.7177.767.4000112.1I33 F37 W40 L41 R54 R55 V60 L61 I62I33-L58 HydrophobicContact CG2-CD2 3.95Å; I33-L58 HydrophobicContact CG2-CG 4.22Å; F37-L58 HydrophobicContact CB-CD2 3.41Å; F37-L58 VanDerWaalsContact CB-CD2 3.41Å; F37-L58 HydrophobicContact CD1-CD1 4.21Å; F37-L58 HydrophobicContact CD1-CD2 4.11Å; F37-L58 HydrophobicContact CD2-CD1 4.41Å; F37-L58 HydrophobicContact CD2-CD2 3.69Å; F37-L58 HydrophobicContact CD2-CG 4.46Å; F37-L58 HydrophobicContact CE1-CD1 4.26Å; F37-L58 HydrophobicContact CE2-CD1 4.46Å; F37-L58 HydrophobicContact CE2-CD2 4.48Å; F37-L58 HydrophobicContact CG-CD1 4.29Å; F37-L58 HydrophobicContact CG-CD2 3.47Å; F37-L58 VanDerWaalsContact CG-CD2 3.47Å; F37-L58 HydrophobicContact CG-CG 4.45Å; F37-L58 HydrophobicContact CZ-CD1 4.38Å; W40-L58 HydrophobicContact CE3-CD2 4.19Å; W40-L58 HydrophobicContact CH2-CB 4.37Å; W40-L58 HydrophobicContact CZ3-CB 3.78Å; W40-L58 HydrophobicContact CZ3-CD2 4.08Å; W40-L58 HydrophobicContact CZ3-CG 4.37Å; L41-L58 HydrophobicContact CD1-CD2 4.33Å; R54-L58 WeakPolarHBondContact O-CB 3.33Å; R54-L58 PolarHBondContact O-N 3.04Å; R55-L58 PolarHBondContact O-N 3.01Å; L58-V60 VanDerWaalsContact C-N 3.32Å; L58-V60 PolarHBondContact O-N 3.4Å; L58-L61 PolarHBondContact O-N 3.39Å; L58-I62 HydrophobicContact CD1-CD1 3.82Å; L58-I62 HydrophobicContact CD1-CG1 4.23Å; L58-I62 HydrophobicContact CD2-CD1 4.39Å; L58-I62 HydrophobicContact CG-CD1 3.76Å; L58-I62 HydrophobicContact CG-CG1 4.47Å; L58-I62 WeakPolarHBondContact O-CG1 3.33Å; L58-I62 PolarHBondContact O-N 2.77Å
59T90.3Very high91.5Very high9 Ų922 Ų226%0.05512%0.123CC..Hα-helixtrans-62.6-41.1178.6-54.70000110.9I33 R55 T56 L61 I62 H63 T177 Y178I33-T59 HydrophobicContact CD1-CG2 4.46Å; R55-T59 WeakPolarHBondContact O-CB 3.47Å; R55-T59 PolarHBondContact O-N 3.07Å; R55-T59 PolarHBondContact O-OG1 3.37Å; T56-T59 PolarHBondContact O-N 2.8Å; T59-L61 PolarHBondContact O-N 3.06Å; T59-I62 PolarHBondContact O-N 3.5Å; T59-H63 VanDerWaalsContact CG2-CE1 3.5Å; T59-H63 WeakPolarHBondContact CG2-CE1 3.49Å; T59-H63 WeakPolarHBondContact O-CB 3.44Å; T59-H63 PolarHBondContact O-N 3.14Å; T59-T177 HydrophobicContact CG2-CG2 3.77Å; T59-Y178 HydrophobicContact CG2-CD1 4.5Å; T59-Y178 HydrophobicContact CG2-CE1 4.1Å
60V91.2Very high91.5Very high35 Ų3523.7 Ų23.721%0.21213%0.128CC..Hα-helixtrans-59.3-46.3174169.40000111.1T56 S57 L58 S64 Y178T56-V60 WeakPolarHBondContact O-CG2 3.41Å; T56-V60 PolarHBondContact O-N 3.42Å; S57-V60 PolarHBondContact O-N 3.32Å; L58-V60 VanDerWaalsContact C-N 3.32Å; L58-V60 PolarHBondContact O-N 3.4Å; V60-S64 VanDerWaalsContact O-CB 3.25Å; V60-S64 WeakPolarHBondContact O-CB 3.44Å; V60-S64 PolarHBondContact O-N 3.23Å; V60-S64 PolarHBondContact O-OG 3.47Å; V60-Y178 HydrophobicContact CG2-CD1 4.23Å
61L92.9Very high91.4Very high21 Ų2123.9 Ų23.911%0.1113%0.126CC..Hα-helixtrans-65.3-38.6179.8-69.6173.3000113.5S57 L58 T59 S64 S65 Q104 W108 V111S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 3.26Å; S57-L61 VanDerWaalsContact O-N 3.15Å; L58-L61 PolarHBondContact O-N 3.39Å; T59-L61 PolarHBondContact O-N 3.06Å; L61-S64 PolarHBondContact O-OG 3.33Å; L61-S64 VanDerWaalsContact O-OG 3.1Å; L61-S65 PolarHBondContact O-N 3.14Å; L61-Q104 PolarHBondContact O-NE2 3.21Å; L61-Q104 PolarHBondContact O-OE1 3.07Å; L61-W108 HydrophobicContact CD1-CE3 4.33Å; L61-W108 HydrophobicContact CD1-CH2 4.23Å; L61-W108 HydrophobicContact CD1-CZ2 4.4Å; L61-W108 HydrophobicContact CD1-CZ3 4.19Å; L61-W108 HydrophobicContact CD2-CB 4.46Å; L61-W108 HydrophobicContact CD2-CD2 3.8Å; L61-W108 HydrophobicContact CD2-CE3 4.24Å; L61-W108 HydrophobicContact CD2-CG 3.89Å; L61-V111 HydrophobicContact CD1-CB 4.45Å; L61-V111 HydrophobicContact CD1-CG1 4.3Å; L61-V111 HydrophobicContact CD1-CG2 4.16Å; L61-V111 HydrophobicContact CD2-CG2 4.1Å; L61-V111 HydrophobicContact CG-CG2 3.96Å
62I91.6Very high91.2Very high31 Ų3128.3 Ų28.316%0.15915%0.148CC..Hα-helixtrans-73.8-45.4179.7-67.5169.9000110.1L19 I33 F37 L58 T59 S64 S65L19-I62 HydrophobicContact CD2-CG2 3.87Å; I33-I62 HydrophobicContact CB-CD1 4.4Å; I33-I62 HydrophobicContact CD1-CB 4.4Å; I33-I62 HydrophobicContact CD1-CD1 4.32Å; I33-I62 HydrophobicContact CD1-CG2 4.03Å; I33-I62 HydrophobicContact CG1-CD1 4.19Å; I33-I62 HydrophobicContact CG1-CG2 4.46Å; I33-I62 HydrophobicContact CG2-CD1 3.44Å; I33-I62 VanDerWaalsContact CG2-CD1 3.44Å; F37-I62 HydrophobicContact CD2-CD1 4.16Å; F37-I62 HydrophobicContact CE2-CD1 3.63Å; F37-I62 HydrophobicContact CZ-CD1 4.28Å; L58-I62 HydrophobicContact CD1-CD1 3.82Å; L58-I62 HydrophobicContact CD1-CG1 4.23Å; L58-I62 HydrophobicContact CD2-CD1 4.39Å; L58-I62 HydrophobicContact CG-CD1 3.76Å; L58-I62 HydrophobicContact CG-CG1 4.47Å; L58-I62 WeakPolarHBondContact O-CG1 3.33Å; L58-I62 PolarHBondContact O-N 2.77Å; T59-I62 PolarHBondContact O-N 3.5Å; I62-S64 VanDerWaalsContact C-N 3.32Å; I62-S64 PolarHBondContact O-N 3.3Å; I62-S65 PolarHBondContact O-N 2.91Å; I62-S65 VanDerWaalsContact O-N 3.14Å; I62-S65 PolarHBondContact O-OG 3.19Å
63H91.9Very high91Very high22 Ų2229.1 Ų29.110%0.10216%0.157CC..Hα-helixtrans-68.4-33.9179.9-69.4-172.6000111.8L19 I33 T59 S65 L66 Y178L19-H63 VanDerWaalsContact CD2-CD2 3.43Å; L19-H63 WeakPolarHBondContact CD2-CD2 3.41Å; I33-H63 WeakPolarHBondContact CD1-NE2 3.36Å; T59-H63 VanDerWaalsContact CG2-CE1 3.5Å; T59-H63 WeakPolarHBondContact CG2-CE1 3.49Å; T59-H63 WeakPolarHBondContact O-CB 3.44Å; T59-H63 PolarHBondContact O-N 3.14Å; H63-S65 PolarHBondContact O-N 3.11Å; H63-L66 PolarHBondContact O-N 3.02Å; H63-Y178 AromaticContact ND1-CE1 3.75Å; H63-Y178 AromaticContact ND1-CZ 3.55Å; H63-Y178 PolarHBondContact ND1-OH 3.35Å
64S92.8Very high90.8Very high8 Ų828.5 Ų28.56%0.05615%0.154CC..Hα-helixtrans-69.4-18.4173.866.70000113.8V60 L61 I62 P67 Q104 S107V60-S64 VanDerWaalsContact O-CB 3.25Å; V60-S64 WeakPolarHBondContact O-CB 3.44Å; V60-S64 PolarHBondContact O-N 3.23Å; V60-S64 PolarHBondContact O-OG 3.47Å; L61-S64 PolarHBondContact O-OG 3.33Å; L61-S64 VanDerWaalsContact O-OG 3.1Å; I62-S64 VanDerWaalsContact C-N 3.32Å; I62-S64 PolarHBondContact O-N 3.3Å; S64-P67 WeakPolarHBondContact O-CD 3.41Å; S64-Q104 PolarHBondContact O-OE1 3.47Å; S64-Q104 PolarHBondContact OG-OE1 3.45Å; S64-S107 WeakPolarHBondContact CB-OG 3.42Å; S64-S107 VanDerWaalsContact OG-CB 3.32Å; S64-S107 WeakPolarHBondContact OG-CB 3.47Å; S64-S107 PolarHBondContact OG-OG 2.85Å
65S92.6Very high90.4Very high44 Ų4424.6 Ų24.631%0.30814%0.142SC..Hα-helixtrans-87.6-12.1179.1770000113.1L61 I62 H63 L68 G69L61-S65 PolarHBondContact O-N 3.14Å; I62-S65 PolarHBondContact O-N 2.91Å; I62-S65 VanDerWaalsContact O-N 3.14Å; I62-S65 PolarHBondContact O-OG 3.19Å; H63-S65 PolarHBondContact O-N 3.11Å; S65-L68 PolarHBondContact O-N 3.47Å; S65-G69 PolarHBondContact O-N 2.97Å
66L92.6Very high90.1Very high17 Ų1730.1 Ų30.19%0.08918%0.175CC..Hα-helixtrans-57-46178.1-65.8171.9000113.3Y12 F15 A16 L19 I20 H63 L68 G69 Y70Y12-L66 PolarHBondContact OH-O 2.81Å; F15-L66 HydrophobicContact CE1-CD2 4.37Å; A16-L66 HydrophobicContact CB-CD1 4.29Å; L19-L66 HydrophobicContact CD1-CD2 4.4Å; L19-L66 HydrophobicContact CD2-CD1 4.3Å; L19-L66 HydrophobicContact CD2-CD2 4.31Å; I20-L66 HydrophobicContact CD1-CD1 3.83Å; I20-L66 HydrophobicContact CG1-CD1 3.83Å; H63-L66 PolarHBondContact O-N 3.02Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.28Å; L66-G69 PolarHBondContact O-N 3.3Å; L66-Y70 PolarHBondContact O-N 2.95Å
67P92.3Very high89.7Confident39 Ų3931.3 Ų31.325%0.25319%0.185SC..Hα-helixtrans-61.8-38.3177.4-24.136.6000113S64 Y70 F71 F96 S100 L103S64-P67 WeakPolarHBondContact O-CD 3.41Å; P67-Y70 WeakPolarHBondContact O-CB 3.17Å; P67-Y70 PolarHBondContact O-N 3.13Å; P67-F71 PolarHBondContact O-N 3.07Å; P67-F71 VanDerWaalsContact O-N 3.1Å; P67-F96 HydrophobicContact CB-CZ 4.13Å; P67-F96 WeakPolarHBondContact O-CE1 3.3Å; P67-S100 WeakPolarHBondContact CB-OG 3.3Å; P67-L103 HydrophobicContact CG-CD2 4.22Å
68L91.6Very high89Confident41 Ų4131.2 Ų31.222%0.21519%0.185CC..Hα-helixtrans-69.4-39.2176.3-172.866.9000111.4S65 L66 Y70 F71 M72 L97 V101S65-L68 PolarHBondContact O-N 3.47Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.28Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 2.89Å; L68-F71 WeakPolarHBondContact O-CB 3.46Å; L68-F71 PolarHBondContact O-N 3.24Å; L68-M72 HydrophobicContact CG-CE 4.32Å; L68-M72 WeakPolarHBondContact O-CG 3.39Å; L68-M72 PolarHBondContact O-N 2.89Å; L68-L97 HydrophobicContact CD1-CD1 4.1Å; L68-V101 HydrophobicContact CD1-CG2 3.92Å
69G90.8Very high88.1Confident19 Ų1934.2 Ų34.220%0.19621%0.205CC..Hα-helixtrans-60.7-40.3173.200000112.5S65 L66 M72 G73S65-G69 PolarHBondContact O-N 2.97Å; L66-G69 PolarHBondContact O-N 3.3Å; G69-M72 PolarHBondContact O-N 2.68Å; G69-G73 PolarHBondContact O-N 3.13Å
70Y91.4Very high87.1Confident42 Ų4239.2 Ų39.217%0.16523%0.228CC..Hα-helixtrans-61.5-47.1173.3179.2-111.2000111.5F8 T9 Y12 L66 P67 L68 M72 G73 M74 W93 F96F8-Y70 HydrophobicContact CD1-CE2 4.24Å; F8-Y70 AromaticContact CE1-CD2 3.97Å; F8-Y70 HydrophobicContact CE1-CD2 3.97Å; F8-Y70 HydrophobicContact CE1-CE2 4.06Å; T9-Y70 HydrophobicContact CG2-CE2 4.07Å; T9-Y70 WeakPolarHBondContact CG2-OH 3.5Å; T9-Y70 PolarHBondContact OG1-OH 3.44Å; Y12-Y70 AromaticContact CD1-CD2 3.56Å; Y12-Y70 HydrophobicContact CD1-CD2 3.56Å; Y12-Y70 HydrophobicContact CD1-CG 4.11Å; Y12-Y70 HydrophobicContact CD2-CD2 4.47Å; Y12-Y70 HydrophobicContact CE1-CD2 4.18Å; Y12-Y70 HydrophobicContact CE1-CG 4.3Å; Y12-Y70 AromaticContact CG-CD2 3.76Å; Y12-Y70 HydrophobicContact CG-CD2 3.76Å; Y12-Y70 PolarHBondContact OH-N 3.43Å; L66-Y70 PolarHBondContact O-N 2.95Å; P67-Y70 WeakPolarHBondContact O-CB 3.17Å; P67-Y70 PolarHBondContact O-N 3.13Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 2.89Å; Y70-M72 PolarHBondContact O-N 3.38Å; Y70-G73 PolarHBondContact O-N 2.92Å; Y70-M74 HydrophobicContact CD1-CG 4.33Å; Y70-M74 HydrophobicContact CD2-CG 4.15Å; Y70-M74 HydrophobicContact CE1-CG 3.91Å; Y70-M74 HydrophobicContact CE2-CG 3.69Å; Y70-M74 HydrophobicContact CE2-SD 4.04Å; Y70-M74 HydrophobicContact CG-CG 4.45Å; Y70-M74 WeakPolarHBondContact O-CB 3.13Å; Y70-M74 WeakPolarHBondContact O-CG 3.47Å; Y70-M74 PolarHBondContact O-N 3.04Å; Y70-W93 AromaticContact CE1-CH2 3.81Å; Y70-W93 HydrophobicContact CE1-CH2 3.81Å; Y70-W93 HydrophobicContact CE1-CZ3 4.14Å; Y70-F96 AromaticContact CD1-CE1 3.96Å; Y70-F96 HydrophobicContact CD1-CE1 3.96Å; Y70-F96 AromaticContact CD1-CZ 3.82Å; Y70-F96 HydrophobicContact CD1-CZ 3.82Å
71F88.3Confident85.8Confident14 Ų1441.3 Ų41.36%0.06123%0.234CC..Hα-helixtrans-57.4-49.8176.7-175.7-93.5000111.6P67 L68 G73 M74 C75 I89 W93 F96 L97P67-F71 PolarHBondContact O-N 3.07Å; P67-F71 VanDerWaalsContact O-N 3.1Å; L68-F71 WeakPolarHBondContact O-CB 3.46Å; L68-F71 PolarHBondContact O-N 3.24Å; F71-G73 VanDerWaalsContact C-N 3.34Å; F71-G73 PolarHBondContact O-N 3.42Å; F71-M74 PolarHBondContact O-N 2.95Å; F71-C75 PolarHBondContact O-N 3.25Å; F71-C75 PolarHBondContact O-SG 2.75Å; F71-I89 HydrophobicContact CZ-CD1 4.1Å; F71-W93 AromaticContact CD2-CE3 3.74Å; F71-W93 HydrophobicContact CD2-CE3 3.74Å; F71-W93 HydrophobicContact CD2-CZ3 4.02Å; F71-W93 AromaticContact CE2-CE3 3.92Å; F71-W93 HydrophobicContact CE2-CE3 3.92Å; F71-F96 HydrophobicContact CB-CD1 4.42Å; F71-F96 HydrophobicContact CB-CE1 4.05Å; F71-F96 HydrophobicContact CD2-CD1 4.1Å; F71-L97 HydrophobicContact CD1-CD1 3.71Å; F71-L97 HydrophobicContact CD2-CB 4.24Å; F71-L97 HydrophobicContact CD2-CD1 4.39Å; F71-L97 HydrophobicContact CE1-CD1 3.75Å; F71-L97 HydrophobicContact CE1-CD2 4.08Å; F71-L97 HydrophobicContact CE1-CG 4.38Å; F71-L97 HydrophobicContact CE2-CB 3.97Å; F71-L97 HydrophobicContact CE2-CD1 4.42Å; F71-L97 HydrophobicContact CE2-CD2 4.48Å; F71-L97 HydrophobicContact CG-CD1 4.05Å; F71-L97 HydrophobicContact CZ-CB 4.21Å; F71-L97 HydrophobicContact CZ-CD1 4.12Å; F71-L97 HydrophobicContact CZ-CD2 3.88Å; F71-L97 HydrophobicContact CZ-CG 4.29Å
72M87.4Confident84.6Confident112 Ų11244 Ų4455%0.55225%0.249SC*.Hα-helixtrans-61.1-41.6178.7-71-173.5-65.700112.3L68 G69 Y70 C75L68-M72 HydrophobicContact CG-CE 4.32Å; L68-M72 WeakPolarHBondContact O-CG 3.39Å; L68-M72 PolarHBondContact O-N 2.89Å; G69-M72 PolarHBondContact O-N 2.68Å; Y70-M72 PolarHBondContact O-N 3.38Å; M72-C75 WeakPolarHBondContact O-CB 3.45Å; M72-C75 PolarHBondContact O-N 2.8Å
73G86.3Confident83.5Confident17 Ų1742.8 Ų42.818%0.17524%0.243CC..Hα-helixtrans-67-37.6177.300000113F8 G69 Y70 F71 C75 V76 A77F8-G73 VanDerWaalsContact CZ-CA 3.49Å; G69-G73 PolarHBondContact O-N 3.13Å; Y70-G73 PolarHBondContact O-N 2.92Å; F71-G73 VanDerWaalsContact C-N 3.34Å; F71-G73 PolarHBondContact O-N 3.42Å; G73-C75 VanDerWaalsContact C-N 3.33Å; G73-C75 PolarHBondContact O-N 3.34Å; G73-V76 PolarHBondContact O-N 3.2Å; G73-V76 VanDerWaalsContact O-N 3.1Å; G73-A77 WeakPolarHBondContact O-CB 3.49Å; G73-A77 PolarHBondContact O-N 3.3Å
74M86.4Confident82.2Confident3 Ų347.6 Ų47.62%0.01527%0.268CS..Hα-helixtrans-64.9-33.6173.7-76.6-65.4-59.800112.8E5 F8 Y70 F71 V76 A77 A78 L83 W93E5-M74 HydrophobicContact CB-CE 4.21Å; F8-M74 HydrophobicContact CD1-CG 4.03Å; F8-M74 HydrophobicContact CD1-SD 3.48Å; F8-M74 WeakPolarHBondContact CD1-SD 3.41Å; F8-M74 HydrophobicContact CE1-CG 3.94Å; F8-M74 HydrophobicContact CE1-SD 4.03Å; F8-M74 HydrophobicContact CG-SD 4.46Å; Y70-M74 HydrophobicContact CD1-CG 4.33Å; Y70-M74 HydrophobicContact CD2-CG 4.15Å; Y70-M74 HydrophobicContact CE1-CG 3.91Å; Y70-M74 HydrophobicContact CE2-CG 3.69Å; Y70-M74 HydrophobicContact CE2-SD 4.04Å; Y70-M74 HydrophobicContact CG-CG 4.45Å; Y70-M74 WeakPolarHBondContact O-CB 3.13Å; Y70-M74 WeakPolarHBondContact O-CG 3.47Å; Y70-M74 PolarHBondContact O-N 3.04Å; F71-M74 PolarHBondContact O-N 2.95Å; M74-V76 PolarHBondContact O-N 3.04Å; M74-A77 PolarHBondContact O-N 2.83Å; M74-A78 HydrophobicContact CE-CB 4.31Å; M74-A78 PolarHBondContact O-N 2.85Å; M74-L83 HydrophobicContact CB-CD1 4.17Å; M74-W93 HydrophobicContact CB-CH2 4.09Å; M74-W93 HydrophobicContact CB-CZ3 4.47Å; M74-W93 HydrophobicContact CE-CH2 4.06Å; M74-W93 HydrophobicContact CE-CZ2 4.01Å; M74-W93 HydrophobicContact CG-CH2 3.89Å
75C83.4Confident81.2Confident18 Ų1854.4 Ų54.412%0.12229%0.293CS..Hα-helixtrans-59.9-29.9172.1-65.80000112.9F71 M72 G73 L83 I84F71-C75 PolarHBondContact O-N 3.25Å; F71-C75 PolarHBondContact O-SG 2.75Å; M72-C75 WeakPolarHBondContact O-CB 3.45Å; M72-C75 PolarHBondContact O-N 2.8Å; G73-C75 VanDerWaalsContact C-N 3.33Å; G73-C75 PolarHBondContact O-N 3.34Å; C75-L83 HydrophobicContact CB-CB 4.44Å; C75-L83 VanDerWaalsContact SG-CB 3.57Å; C75-I84 HydrophobicContact CB-CG1 4.22Å
76V83.6Confident79.8Confident120 Ų12056 Ų5673%0.72730%0.301SS*.Hα-helixtrans-88.9-39.6178.9-179.70000111.5G73 M74G73-V76 PolarHBondContact O-N 3.2Å; G73-V76 VanDerWaalsContact O-N 3.1Å; M74-V76 PolarHBondContact O-N 3.04Å
77A82.5Confident78.3Confident26 Ų2664 Ų6422%0.21534%0.337CS..Hα-helixtrans-76.3-24.8-176.100000113.9F8 G73 M74F8-A77 HydrophobicContact CB-CB 3.85Å; F8-A77 HydrophobicContact CD1-CB 4.19Å; F8-A77 HydrophobicContact CD2-CB 3.91Å; F8-A77 HydrophobicContact CG-CB 3.69Å; G73-A77 WeakPolarHBondContact O-CB 3.49Å; G73-A77 PolarHBondContact O-N 3.3Å; M74-A77 PolarHBondContact O-N 2.83Å
78A78.1Confident76.9Confident0 Ų068.8 Ų68.80%036%0.357CS..  trans-131.964.1-178.400000111.5E5 M74 E80 K81E5-A78 HydrophobicContact CG-CB 3.91Å; E5-A78 WeakPolarHBondContact OE1-CB 3.37Å; M74-A78 HydrophobicContact CE-CB 4.31Å; M74-A78 PolarHBondContact O-N 2.85Å; A78-E80 WeakPolarHBondContact CA-OE1 3.3Å; A78-E80 PolarHBondContact O-N 3.45Å; A78-K81 HydrophobicContact CB-CD 4.24Å; A78-K81 HydrophobicContact CB-CG 4.42Å; A78-K81 PolarHBondContact O-N 3.4Å; A78-K81 VanDerWaalsContact O-N 3.09Å
79P72.4Confident76.2Confident80 Ų8067.6 Ų67.652%0.51935%0.35SS..G310 helixtrans-59.9-27.8-177.725.6-34.4000112.6K81 N82P79-K81 PolarHBondContact O-N 3.01Å; P79-N82 PolarHBondContact O-N 3.48Å; P79-N82 VanDerWaalsContact O-N 3.08Å
80E68.2Low75.7Confident114 Ų11469.9 Ų69.953%0.53336%0.363SS..G310 helixtrans-59.5-23175.659.2-80.7178.900114.3A78 N82A78-E80 WeakPolarHBondContact CA-OE1 3.3Å; A78-E80 PolarHBondContact O-N 3.45Å; E80-N82 PolarHBondContact O-N 2.73Å
81K65.4Low75.3Confident79 Ų7974 Ų7434%0.34339%0.388SS..G310 helixtrans-80.5-2.1177.1-75-175.6164.6157.30113.9E5 A78 P79 L83E5-K81 WeakPolarHBondContact OE1-CD 3.23Å; E5-K81 WeakPolarHBondContact OE1-CE 3.49Å; E5-K81 IonicContact OE1-NZ 3.78Å; E5-K81 PolarHBondContact OE1-NZ 2.94Å; E5-K81 IonicContact OE2-NZ 3.93Å; E5-K81 PolarHBondContact OE2-NZ 3.41Å; A78-K81 HydrophobicContact CB-CD 4.24Å; A78-K81 HydrophobicContact CB-CG 4.42Å; A78-K81 PolarHBondContact O-N 3.4Å; A78-K81 VanDerWaalsContact O-N 3.09Å; P79-K81 PolarHBondContact O-N 3.01Å; K81-L83 HydrophobicContact CB-CD1 4.07Å; K81-L83 HydrophobicContact CB-CD2 4.34Å; K81-L83 HydrophobicContact CB-CG 3.75Å; K81-L83 HydrophobicContact CD-CD1 4.5Å; K81-L83 PolarHBondContact O-N 3.31Å
82N66.8Low75.1Confident79 Ų7977.8 Ų77.842%0.42242%0.416SS..  trans49.132.3179.8-70.3-50.9000113.6P79 E80 I84 Y85P79-N82 PolarHBondContact O-N 3.48Å; P79-N82 VanDerWaalsContact O-N 3.08Å; E80-N82 PolarHBondContact O-N 2.73Å; N82-I84 PolarHBondContact O-N 3.21Å; N82-Y85 HydrophobicContact CB-CD2 4.25Å; N82-Y85 PolarHBondContact O-N 3.43Å
83L68.3Low75Confident5 Ų574.5 Ų74.53%0.02640%0.398CS..THydrogen-bonded Turntrans-62.2-11.3-177.3-66.3168.1000113.7M74 C75 K81 I89 W93M74-L83 HydrophobicContact CB-CD1 4.17Å; C75-L83 HydrophobicContact CB-CB 4.44Å; C75-L83 VanDerWaalsContact SG-CB 3.57Å; K81-L83 HydrophobicContact CB-CD1 4.07Å; K81-L83 HydrophobicContact CB-CD2 4.34Å; K81-L83 HydrophobicContact CB-CG 3.75Å; K81-L83 HydrophobicContact CD-CD1 4.5Å; K81-L83 PolarHBondContact O-N 3.31Å; L83-I89 HydrophobicContact CD2-CG2 4.12Å; L83-I89 WeakPolarHBondContact O-CD1 3.26Å; L83-W93 HydrophobicContact CD2-CB 4.1Å; L83-W93 HydrophobicContact CD2-CD2 3.87Å; L83-W93 HydrophobicContact CD2-CE3 4.44Å; L83-W93 HydrophobicContact CD2-CG 3.7Å
84I65.5Low75Confident123 Ų12380.6 Ų80.663%0.63142%0.415SS*.THydrogen-bonded Turntrans-76-31.6175.4-60.1171000110.8C75 N82 V86C75-I84 HydrophobicContact CB-CG1 4.22Å; N82-I84 PolarHBondContact O-N 3.21Å; I84-V86 PolarHBondContact O-N 2.9Å
85Y70.5Confident75.1Confident151 Ų15184.5 Ų84.559%0.59244%0.439SS*.SBendtrans-9086.5179.4-64.9-75.9000110.4N82 H87 Q88 I89N82-Y85 HydrophobicContact CB-CD2 4.25Å; N82-Y85 PolarHBondContact O-N 3.43Å; Y85-H87 PolarHBondContact O-N 2.9Å; Y85-Q88 PolarHBondContact O-N 2.73Å; Y85-I89 WeakPolarHBondContact O-CG1 3.19Å
86V63.8Low75.4Confident78 Ų7886.8 Ų86.847%0.47345%0.447SS..THydrogen-bonded Turntrans-47.1-28.1-175.7-176.30000114.6I84 I89I84-V86 PolarHBondContact O-N 2.9Å; V86-I89 HydrophobicContact CB-CD1 4.45Å; V86-I89 HydrophobicContact CG2-CD1 4.49Å
87H60.4Low75.7Confident184 Ų18482.6 Ų82.685%0.85242%0.421SS*.THydrogen-bonded Turntrans-79.2-18.9177.6-84.2-66.5000115.9Y85Y85-H87 PolarHBondContact O-N 2.9Å
88Q64.6Low76.1Confident140 Ų14088.2 Ų88.265%0.65444%0.441SS*.THydrogen-bonded Turntrans-106.43.2-179.4-67.2-177-900113Y85Y85-Q88 PolarHBondContact O-N 2.73Å
89I75.9Confident76.8Confident16 Ų1693.2 Ų93.28%0.08247%0.467CS..SBendtrans-73.7144.2-179.2-57.2-174000110.2F71 L83 Y85 V86 W93F71-I89 HydrophobicContact CZ-CD1 4.1Å; L83-I89 HydrophobicContact CD2-CG2 4.12Å; L83-I89 WeakPolarHBondContact O-CD1 3.26Å; Y85-I89 WeakPolarHBondContact O-CG1 3.19Å; V86-I89 HydrophobicContact CB-CD1 4.45Å; V86-I89 HydrophobicContact CG2-CD1 4.49Å; I89-W93 HydrophobicContact CG2-CB 3.18Å; I89-W93 HydrophobicContact CG2-CG 4.21Å
90S79.8Confident77.8Confident66 Ų6689.5 Ų89.546%0.46244%0.443SS..  trans-62149.4171.971.10000112.1S92 W93 R94S90-S92 PolarHBondContact O-N 2.77Å; S90-S92 VanDerWaalsContact O-N 3.08Å; S90-W93 PolarHBondContact O-N 3.47Å; S90-R94 PolarHBondContact O-N 3.18Å; S90-R94 VanDerWaalsContact O-N 3.1Å
91D82.9Confident79Confident128 Ų12887 Ų8768%0.68444%0.435SS*.Hα-helixtrans-54.1-36.6-175.9-68.3-36.9000113W93 R94 V95D91-W93 PolarHBondContact O-N 3.26Å; D91-R94 PolarHBondContact O-N 3.03Å; D91-V95 WeakPolarHBondContact O-CG2 3.35Å; D91-V95 PolarHBondContact O-N 2.85Å
92S85.1Confident80.3Confident95 Ų9585.2 Ų85.266%0.66443%0.433SS*.Hα-helixtrans-61.1-45.4177.5-52.80000113.2S90 V95 F96S90-S92 PolarHBondContact O-N 2.77Å; S90-S92 VanDerWaalsContact O-N 3.08Å; S92-V95 PolarHBondContact O-N 3.42Å; S92-F96 WeakPolarHBondContact O-CB 3.39Å; S92-F96 PolarHBondContact O-N 3.17Å
93W85.8Confident81.6Confident43 Ų4385.1 Ų85.116%0.16343%0.432CS..Hα-helixtrans-72-32.2179-82.6113.1000111.8Y70 F71 M74 L83 I89 S90 D91 F96 L97Y70-W93 AromaticContact CE1-CH2 3.81Å; Y70-W93 HydrophobicContact CE1-CH2 3.81Å; Y70-W93 HydrophobicContact CE1-CZ3 4.14Å; F71-W93 AromaticContact CD2-CE3 3.74Å; F71-W93 HydrophobicContact CD2-CE3 3.74Å; F71-W93 HydrophobicContact CD2-CZ3 4.02Å; F71-W93 AromaticContact CE2-CE3 3.92Å; F71-W93 HydrophobicContact CE2-CE3 3.92Å; M74-W93 HydrophobicContact CB-CH2 4.09Å; M74-W93 HydrophobicContact CB-CZ3 4.47Å; M74-W93 HydrophobicContact CE-CH2 4.06Å; M74-W93 HydrophobicContact CE-CZ2 4.01Å; M74-W93 HydrophobicContact CG-CH2 3.89Å; L83-W93 HydrophobicContact CD2-CB 4.1Å; L83-W93 HydrophobicContact CD2-CD2 3.87Å; L83-W93 HydrophobicContact CD2-CE3 4.44Å; L83-W93 HydrophobicContact CD2-CG 3.7Å; I89-W93 HydrophobicContact CG2-CB 3.18Å; I89-W93 HydrophobicContact CG2-CG 4.21Å; S90-W93 PolarHBondContact O-N 3.47Å; D91-W93 PolarHBondContact O-N 3.26Å; W93-F96 HydrophobicContact CE3-CD1 4.11Å; W93-F96 HydrophobicContact CZ3-CD1 4.09Å; W93-F96 HydrophobicContact CZ3-CE1 4.37Å; W93-F96 PolarHBondContact O-N 3.39Å; W93-L97 WeakPolarHBondContact O-CB 3.42Å; W93-L97 PolarHBondContact O-N 2.81Å
94R85.3Confident82.8Confident144 Ų14485.9 Ų85.954%0.54344%0.435SS..Hα-helixtrans-65.1-43.9173.9-171.3176.2179.7-175.50.2111.7S90 D91 L97 F98S90-R94 PolarHBondContact O-N 3.18Å; S90-R94 VanDerWaalsContact O-N 3.1Å; D91-R94 PolarHBondContact O-N 3.03Å; R94-L97 PolarHBondContact O-N 3.37Å; R94-F98 WeakPolarHBondContact O-CB 3.45Å; R94-F98 PolarHBondContact O-N 3.11Å
95V88.7Confident84.2Confident85 Ų8585 Ų8552%0.51543%0.43SS..Hα-helixtrans-62.9-44.7173.4172.30000110.6D91 S92 L97 F98 L99D91-V95 WeakPolarHBondContact O-CG2 3.35Å; D91-V95 PolarHBondContact O-N 2.85Å; S92-V95 PolarHBondContact O-N 3.42Å; V95-L97 PolarHBondContact O-N 2.81Å; V95-F98 PolarHBondContact O-N 3.47Å; V95-L99 HydrophobicContact CG1-CD1 3.85Å; V95-L99 HydrophobicContact CG1-CG 4.32Å; V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 2.89Å
96F90.1Very high85.3Confident67 Ų6781.7 Ų81.729%0.29443%0.425SS..Hα-helixtrans-60-45.2177.8-178.3-97.2000112.6P67 Y70 F71 S92 W93 L99 S100P67-F96 HydrophobicContact CB-CZ 4.13Å; P67-F96 WeakPolarHBondContact O-CE1 3.3Å; Y70-F96 AromaticContact CD1-CE1 3.96Å; Y70-F96 HydrophobicContact CD1-CE1 3.96Å; Y70-F96 AromaticContact CD1-CZ 3.82Å; Y70-F96 HydrophobicContact CD1-CZ 3.82Å; F71-F96 HydrophobicContact CB-CD1 4.42Å; F71-F96 HydrophobicContact CB-CE1 4.05Å; F71-F96 HydrophobicContact CD2-CD1 4.1Å; S92-F96 WeakPolarHBondContact O-CB 3.39Å; S92-F96 PolarHBondContact O-N 3.17Å; W93-F96 HydrophobicContact CE3-CD1 4.11Å; W93-F96 HydrophobicContact CZ3-CD1 4.09Å; W93-F96 HydrophobicContact CZ3-CE1 4.37Å; W93-F96 PolarHBondContact O-N 3.39Å; F96-L99 PolarHBondContact O-N 3.17Å; F96-S100 WeakPolarHBondContact O-CB 3.46Å; F96-S100 PolarHBondContact O-N 3.32Å; F96-S100 PolarHBondContact O-OG 2.89Å
97L89.6Confident86.6Confident31 Ų3178.4 Ų78.416%0.16241%0.406CS..Hα-helixtrans-61.9-47.3176176.962.2000111.2L68 F71 W93 R94 V95 L99 S100 V101L68-L97 HydrophobicContact CD1-CD1 4.1Å; F71-L97 HydrophobicContact CD1-CD1 3.71Å; F71-L97 HydrophobicContact CD2-CB 4.24Å; F71-L97 HydrophobicContact CD2-CD1 4.39Å; F71-L97 HydrophobicContact CE1-CD1 3.75Å; F71-L97 HydrophobicContact CE1-CD2 4.08Å; F71-L97 HydrophobicContact CE1-CG 4.38Å; F71-L97 HydrophobicContact CE2-CB 3.97Å; F71-L97 HydrophobicContact CE2-CD1 4.42Å; F71-L97 HydrophobicContact CE2-CD2 4.48Å; F71-L97 HydrophobicContact CG-CD1 4.05Å; F71-L97 HydrophobicContact CZ-CB 4.21Å; F71-L97 HydrophobicContact CZ-CD1 4.12Å; F71-L97 HydrophobicContact CZ-CD2 3.88Å; F71-L97 HydrophobicContact CZ-CG 4.29Å; W93-L97 WeakPolarHBondContact O-CB 3.42Å; W93-L97 PolarHBondContact O-N 2.81Å; R94-L97 PolarHBondContact O-N 3.37Å; V95-L97 PolarHBondContact O-N 2.81Å; L97-L99 PolarHBondContact O-N 3.41Å; L97-S100 PolarHBondContact O-N 2.91Å; L97-V101 HydrophobicContact CD1-CG2 3.91Å; L97-V101 HydrophobicContact CG-CG2 4.42Å; L97-V101 WeakPolarHBondContact O-CB 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.42Å; L97-V101 PolarHBondContact O-N 3.16Å
98F91.1Very high88.2Confident145 Ų14575.6 Ų75.664%0.63639%0.388SS*.Hα-helixtrans-59.7-45179179.7-96.3000112R94 V95 S102R94-F98 WeakPolarHBondContact O-CB 3.45Å; R94-F98 PolarHBondContact O-N 3.11Å; V95-F98 PolarHBondContact O-N 3.47Å; F98-S102 VanDerWaalsContact O-CB 3.22Å; F98-S102 WeakPolarHBondContact O-CB 3.4Å; F98-S102 PolarHBondContact O-N 3.25Å; F98-S102 PolarHBondContact O-OG 3.28Å
99L93.3Very high89.6Confident104 Ų10474.1 Ų74.155%0.54538%0.384SS..Hα-helixtrans-63.6-43175.8-71.2172.8000111.9V95 F96 L97 S102 L103V95-L99 HydrophobicContact CG1-CD1 3.85Å; V95-L99 HydrophobicContact CG1-CG 4.32Å; V95-L99 WeakPolarHBondContact O-CB 3.39Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 2.89Å; F96-L99 PolarHBondContact O-N 3.17Å; L97-L99 PolarHBondContact O-N 3.41Å; L99-S102 PolarHBondContact O-N 3.45Å; L99-L103 VanDerWaalsContact O-CB 3.29Å; L99-L103 WeakPolarHBondContact O-CB 3.41Å; L99-L103 PolarHBondContact O-N 3.18Å
100S93.1Very high90.4Very high3 Ų376.8 Ų76.82%0.02140%0.397CS..Hα-helixtrans-64.4-44.6179.4-60.30000112P67 F96 L97 L103 Q104P67-S100 WeakPolarHBondContact CB-OG 3.3Å; F96-S100 WeakPolarHBondContact O-CB 3.46Å; F96-S100 PolarHBondContact O-N 3.32Å; F96-S100 PolarHBondContact O-OG 2.89Å; L97-S100 PolarHBondContact O-N 2.91Å; S100-L103 PolarHBondContact O-N 2.72Å; S100-Q104 PolarHBondContact O-N 2.92Å
101V93Very high90.9Very high62 Ų6274.4 Ų74.438%0.37638%0.38SS..Hα-helixtrans-66.7-43.9176.2172.30000110.8L68 L97 L103 Q104 M105L68-V101 HydrophobicContact CD1-CG2 3.92Å; L97-V101 HydrophobicContact CD1-CG2 3.91Å; L97-V101 HydrophobicContact CG-CG2 4.42Å; L97-V101 WeakPolarHBondContact O-CB 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.42Å; L97-V101 PolarHBondContact O-N 3.16Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 2.97Å; V101-Q104 PolarHBondContact O-N 3.21Å; V101-M105 HydrophobicContact CG1-CG 4.2Å; V101-M105 WeakPolarHBondContact O-CB 3.49Å; V101-M105 VanDerWaalsContact O-CG 3.29Å; V101-M105 WeakPolarHBondContact O-CG 3.21Å; V101-M105 PolarHBondContact O-N 2.86Å
102S93.1Very high91.3Very high41 Ų4172.4 Ų72.429%0.28737%0.369SS..Hα-helixtrans-60.2-45.2177.7-61.20000111F98 L99 Q104 M105 T106F98-S102 VanDerWaalsContact O-CB 3.22Å; F98-S102 WeakPolarHBondContact O-CB 3.4Å; F98-S102 PolarHBondContact O-N 3.25Å; F98-S102 PolarHBondContact O-OG 3.28Å; L99-S102 PolarHBondContact O-N 3.45Å; S102-Q104 PolarHBondContact O-N 3.42Å; S102-M105 PolarHBondContact O-N 2.84Å; S102-T106 VanDerWaalsContact O-CG2 3.26Å; S102-T106 WeakPolarHBondContact O-CG2 3.45Å; S102-T106 PolarHBondContact O-N 2.93Å; S102-T106 PolarHBondContact O-OG1 2.79Å
103L94.1Very high91.6Very high77 Ų7773 Ų7340%0.40336%0.357SS..Hα-helixtrans-57.7-50.9175.6-178.166.2000110.9P67 L99 S100 V101 M105 T106 S107P67-L103 HydrophobicContact CG-CD2 4.22Å; L99-L103 VanDerWaalsContact O-CB 3.29Å; L99-L103 WeakPolarHBondContact O-CB 3.41Å; L99-L103 PolarHBondContact O-N 3.18Å; S100-L103 PolarHBondContact O-N 2.72Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 2.97Å; L103-M105 PolarHBondContact O-N 2.95Å; L103-T106 PolarHBondContact O-N 3.03Å; L103-T106 PolarHBondContact O-OG1 3Å; L103-S107 PolarHBondContact O-N 2.7Å; L103-S107 PolarHBondContact O-OG 3.35Å
104Q93.9Very high91.9Very high21 Ų2172 Ų7210%0.09835%0.353CS..Hα-helixtrans-62.3-41.2179.8-17258.83100112.7L61 S64 S100 V101 S102 S107 W108L61-Q104 PolarHBondContact O-NE2 3.21Å; L61-Q104 PolarHBondContact O-OE1 3.07Å; S64-Q104 PolarHBondContact O-OE1 3.47Å; S64-Q104 PolarHBondContact OG-OE1 3.45Å; S100-Q104 PolarHBondContact O-N 2.92Å; V101-Q104 PolarHBondContact O-N 3.21Å; S102-Q104 PolarHBondContact O-N 3.42Å; Q104-S107 PolarHBondContact O-N 2.63Å; Q104-W108 VanDerWaalsContact NE2-CD1 3.32Å; Q104-W108 VanDerWaalsContact NE2-NE1 3.15Å; Q104-W108 PolarHBondContact O-N 3.37Å
105M93.3Very high92Very high105 Ų10572.7 Ų72.752%0.51736%0.357SS..Hα-helixtrans-64.5-43.9177.2-73.6-59.5-63.800111.6V101 S102 L103 S107 W108 L109V101-M105 HydrophobicContact CG1-CG 4.2Å; V101-M105 WeakPolarHBondContact O-CB 3.49Å; V101-M105 VanDerWaalsContact O-CG 3.29Å; V101-M105 WeakPolarHBondContact O-CG 3.21Å; V101-M105 PolarHBondContact O-N 2.86Å; S102-M105 PolarHBondContact O-N 2.84Å; L103-M105 PolarHBondContact O-N 2.95Å; M105-S107 VanDerWaalsContact C-N 3.34Å; M105-S107 PolarHBondContact O-N 3.4Å; M105-W108 PolarHBondContact O-N 2.91Å; M105-L109 WeakPolarHBondContact O-CB 3.48Å; M105-L109 VanDerWaalsContact O-CG 3.28Å; M105-L109 WeakPolarHBondContact O-CG 3.15Å; M105-L109 PolarHBondContact O-N 3.43Å
106T93.5Very high92Very high80 Ų8072.5 Ų72.549%0.49136%0.359SS..Hα-helixtrans-62.9-39.7176.658.40000112.1S102 L103 L109 L110S102-T106 VanDerWaalsContact O-CG2 3.26Å; S102-T106 WeakPolarHBondContact O-CG2 3.45Å; S102-T106 PolarHBondContact O-N 2.93Å; S102-T106 PolarHBondContact O-OG1 2.79Å; L103-T106 PolarHBondContact O-N 3.03Å; L103-T106 PolarHBondContact O-OG1 3Å; T106-L109 PolarHBondContact O-N 2.96Å; T106-L110 VanDerWaalsContact O-CB 3.28Å; T106-L110 WeakPolarHBondContact O-CB 3.44Å; T106-L110 PolarHBondContact O-N 3.39Å
107S92.9Very high91.8Very high10 Ų1071.7 Ų71.77%0.0736%0.361CS..Hα-helixtrans-61.4-44.8174.2-63.20000112.4S64 L103 Q104 M105 L110 V111S64-S107 WeakPolarHBondContact CB-OG 3.42Å; S64-S107 VanDerWaalsContact OG-CB 3.32Å; S64-S107 WeakPolarHBondContact OG-CB 3.47Å; S64-S107 PolarHBondContact OG-OG 2.85Å; L103-S107 PolarHBondContact O-N 2.7Å; L103-S107 PolarHBondContact O-OG 3.35Å; Q104-S107 PolarHBondContact O-N 2.63Å; M105-S107 VanDerWaalsContact C-N 3.34Å; M105-S107 PolarHBondContact O-N 3.4Å; S107-L110 PolarHBondContact O-N 2.64Å; S107-V111 WeakPolarHBondContact O-CG2 3.49Å; S107-V111 PolarHBondContact O-N 2.79Å
108W93.4Very high91.5Very high125 Ų12578.1 Ų78.147%0.47339%0.39SS..Hα-helixtrans-62.5-47.4175.8-88.8112.5000112.3L61 Q104 M105 L110 V111 I112L61-W108 HydrophobicContact CD1-CE3 4.33Å; L61-W108 HydrophobicContact CD1-CH2 4.23Å; L61-W108 HydrophobicContact CD1-CZ2 4.4Å; L61-W108 HydrophobicContact CD1-CZ3 4.19Å; L61-W108 HydrophobicContact CD2-CB 4.46Å; L61-W108 HydrophobicContact CD2-CD2 3.8Å; L61-W108 HydrophobicContact CD2-CE3 4.24Å; L61-W108 HydrophobicContact CD2-CG 3.89Å; Q104-W108 VanDerWaalsContact NE2-CD1 3.32Å; Q104-W108 VanDerWaalsContact NE2-NE1 3.15Å; Q104-W108 PolarHBondContact O-N 3.37Å; M105-W108 PolarHBondContact O-N 2.91Å; W108-L110 VanDerWaalsContact C-N 3.27Å; W108-L110 PolarHBondContact O-N 3.34Å; W108-V111 PolarHBondContact O-N 2.77Å; W108-I112 HydrophobicContact CE3-CD1 4.47Å; W108-I112 WeakPolarHBondContact O-CB 3.33Å; W108-I112 VanDerWaalsContact O-CG1 3.27Å; W108-I112 WeakPolarHBondContact O-CG1 3.33Å; W108-I112 PolarHBondContact O-N 3.44Å
109L93.3Very high91.2Very high109 Ų10973.7 Ų73.757%0.57137%0.369SS*.Hα-helixtrans-58.7-40.9176.7-71.2172000111.4M105 T106 Y113M105-L109 WeakPolarHBondContact O-CB 3.48Å; M105-L109 VanDerWaalsContact O-CG 3.28Å; M105-L109 WeakPolarHBondContact O-CG 3.15Å; M105-L109 PolarHBondContact O-N 3.43Å; T106-L109 PolarHBondContact O-N 2.96Å; L109-Y113 WeakPolarHBondContact O-CB 3.34Å; L109-Y113 PolarHBondContact O-N 3.09Å
110L92.4Very high90.7Very high71 Ų7174 Ų7437%0.37237%0.367SS..Hα-helixtrans-63.5-45.8177.7-174.568.2000112.1T106 S107 W108 Y113 W114T106-L110 VanDerWaalsContact O-CB 3.28Å; T106-L110 WeakPolarHBondContact O-CB 3.44Å; T106-L110 PolarHBondContact O-N 3.39Å; S107-L110 PolarHBondContact O-N 2.64Å; W108-L110 VanDerWaalsContact C-N 3.27Å; W108-L110 PolarHBondContact O-N 3.34Å; L110-Y113 PolarHBondContact O-N 2.99Å; L110-W114 HydrophobicContact CD1-CZ2 3.74Å; L110-W114 HydrophobicContact CD2-CH2 3.45Å; L110-W114 VanDerWaalsContact CD2-CH2 3.45Å; L110-W114 HydrophobicContact CD2-CZ2 3.45Å; L110-W114 VanDerWaalsContact CD2-CZ2 3.45Å; L110-W114 HydrophobicContact CD2-CZ3 4.21Å; L110-W114 HydrophobicContact CG-CD2 4.15Å; L110-W114 HydrophobicContact CG-CE3 4.39Å; L110-W114 HydrophobicContact CG-CH2 3.74Å; L110-W114 HydrophobicContact CG-CZ2 3.43Å; L110-W114 VanDerWaalsContact CG-CZ2 3.43Å; L110-W114 HydrophobicContact CG-CZ3 4.2Å; L110-W114 VanDerWaalsContact O-CG 3.26Å; L110-W114 PolarHBondContact O-N 2.92Å
111V91.1Very high90.3Very high17 Ų1775.9 Ų75.910%0.10338%0.377CS..Hα-helixtrans-68.1-41.8178.7173.60000111.6L61 S107 W108 Y113 W114 Y115L61-V111 HydrophobicContact CD1-CB 4.45Å; L61-V111 HydrophobicContact CD1-CG1 4.3Å; L61-V111 HydrophobicContact CD1-CG2 4.16Å; L61-V111 HydrophobicContact CD2-CG2 4.1Å; L61-V111 HydrophobicContact CG-CG2 3.96Å; S107-V111 WeakPolarHBondContact O-CG2 3.49Å; S107-V111 PolarHBondContact O-N 2.79Å; W108-V111 PolarHBondContact O-N 2.77Å; V111-Y113 VanDerWaalsContact C-N 3.33Å; V111-W114 HydrophobicContact CG2-CE3 4.13Å; V111-W114 HydrophobicContact CG2-CZ3 4.17Å; V111-W114 PolarHBondContact O-N 3.21Å; V111-Y115 WeakPolarHBondContact O-CB 3.31Å; V111-Y115 PolarHBondContact O-N 3.05Å
112I91.4Very high90Very high86 Ų8673 Ų7344%0.44136%0.36SS..Hα-helixtrans-62.1-44.5174.9-68.7166.6000110W108 W114 Y115 C116W108-I112 HydrophobicContact CE3-CD1 4.47Å; W108-I112 WeakPolarHBondContact O-CB 3.33Å; W108-I112 VanDerWaalsContact O-CG1 3.27Å; W108-I112 WeakPolarHBondContact O-CG1 3.33Å; W108-I112 PolarHBondContact O-N 3.44Å; I112-W114 VanDerWaalsContact C-N 3.34Å; I112-W114 PolarHBondContact O-N 2.91Å; I112-Y115 WeakPolarHBondContact O-CB 3.43Å; I112-Y115 PolarHBondContact O-N 3Å; I112-C116 WeakPolarHBondContact O-CB 3.24Å; I112-C116 PolarHBondContact O-N 3.36Å; I112-C116 PolarHBondContact O-SG 3.22Å
113Y91.5Very high89.7Confident107 Ų10773.7 Ų73.742%0.4236%0.363SS..Hα-helixtrans-58.5-45.2175.6168.7-102.1000111.9L109 L110 V111 Y115 C116 C117 N121L109-Y113 WeakPolarHBondContact O-CB 3.34Å; L109-Y113 PolarHBondContact O-N 3.09Å; L110-Y113 PolarHBondContact O-N 2.99Å; V111-Y113 VanDerWaalsContact C-N 3.33Å; Y113-Y115 PolarHBondContact O-N 3.43Å; Y113-C116 PolarHBondContact O-N 3.11Å; Y113-C117 VanDerWaalsContact CE2-SG 3.6Å; Y113-C117 WeakPolarHBondContact O-CB 3.42Å; Y113-C117 PolarHBondContact O-N 2.93Å; Y113-N121 HydrophobicContact CE1-CB 3.89Å; Y113-N121 VanDerWaalsContact CE1-ND2 3.33Å; Y113-N121 WeakPolarHBondContact CE1-ND2 3.38Å; Y113-N121 PolarHBondContact OH-ND2 3.07Å
114W90.9Very high89.4Confident22 Ų2270.1 Ų70.18%0.08334%0.344CS..Hα-helixtrans-61.7-43.6174.4-66.8-24.3000112.3L110 V111 I112 C117 H118 W119 H122 P123L110-W114 HydrophobicContact CD1-CZ2 3.74Å; L110-W114 HydrophobicContact CD2-CH2 3.45Å; L110-W114 VanDerWaalsContact CD2-CH2 3.45Å; L110-W114 HydrophobicContact CD2-CZ2 3.45Å; L110-W114 VanDerWaalsContact CD2-CZ2 3.45Å; L110-W114 HydrophobicContact CD2-CZ3 4.21Å; L110-W114 HydrophobicContact CG-CD2 4.15Å; L110-W114 HydrophobicContact CG-CE3 4.39Å; L110-W114 HydrophobicContact CG-CH2 3.74Å; L110-W114 HydrophobicContact CG-CZ2 3.43Å; L110-W114 VanDerWaalsContact CG-CZ2 3.43Å; L110-W114 HydrophobicContact CG-CZ3 4.2Å; L110-W114 VanDerWaalsContact O-CG 3.26Å; L110-W114 PolarHBondContact O-N 2.92Å; V111-W114 HydrophobicContact CG2-CE3 4.13Å; V111-W114 HydrophobicContact CG2-CZ3 4.17Å; V111-W114 PolarHBondContact O-N 3.21Å; I112-W114 VanDerWaalsContact C-N 3.34Å; I112-W114 PolarHBondContact O-N 2.91Å; W114-C117 CarbonylContact O-C 3.54Å; W114-C117 PolarHBondContact O-N 3.12Å; W114-H118 PolarHBondContact O-N 3.47Å; W114-W119 HydrophobicContact CB-CE3 3.91Å; W114-W119 HydrophobicContact CB-CZ3 4Å; W114-W119 WeakPolarHBondContact O-CA 3.27Å; W114-W119 PolarHBondContact O-N 2.8Å; W114-H122 AromaticContact CD2-CD2 3.72Å; W114-H122 AromaticContact CE3-CD2 3.52Å; W114-H122 AromaticContact CZ3-CD2 3.83Å; W114-H122 AromaticContact CZ3-NE2 3.95Å; W114-P123 HydrophobicContact CZ2-CG 4.48Å
115Y88.8Confident89Confident158 Ų15869.7 Ų69.762%0.6234%0.344SS*.Hα-helixtrans-61.7-49.1178.1-179.1-100.9000111.9V111 I112 Y113 C117 H118 W119V111-Y115 WeakPolarHBondContact O-CB 3.31Å; V111-Y115 PolarHBondContact O-N 3.05Å; I112-Y115 WeakPolarHBondContact O-CB 3.43Å; I112-Y115 PolarHBondContact O-N 3Å; Y113-Y115 PolarHBondContact O-N 3.43Å; Y115-C117 VanDerWaalsContact C-N 3.33Å; Y115-C117 PolarHBondContact O-N 2.57Å; Y115-H118 PolarHBondContact O-N 3.48Å; Y115-W119 AromaticContact CD2-CZ2 3.93Å; Y115-W119 HydrophobicContact CD2-CZ2 3.93Å
116C88.2Confident88.7Confident82 Ų8271.4 Ų71.455%0.55434%0.344SS*.Hα-helixtrans-61.3-39.9178.1-69.20000112.2I112 Y113 H118I112-C116 WeakPolarHBondContact O-CB 3.24Å; I112-C116 PolarHBondContact O-N 3.36Å; I112-C116 PolarHBondContact O-SG 3.22Å; Y113-C116 PolarHBondContact O-N 3.11Å; C116-H118 PolarHBondContact O-N 3.3Å; C116-H118 PolarHBondContact O-ND1 2.74Å; C116-H118 VanDerWaalsContact O-ND1 3.11Å
117C85.7Confident88.3Confident50 Ų5069.6 Ų69.634%0.33833%0.333SS..THydrogen-bonded Turntrans-80.720175.1-66.30000113.7Y113 W114 Y115 W119 H120Y113-C117 VanDerWaalsContact CE2-SG 3.6Å; Y113-C117 WeakPolarHBondContact O-CB 3.42Å; Y113-C117 PolarHBondContact O-N 2.93Å; W114-C117 CarbonylContact O-C 3.54Å; W114-C117 PolarHBondContact O-N 3.12Å; Y115-C117 VanDerWaalsContact C-N 3.33Å; Y115-C117 PolarHBondContact O-N 2.57Å; C117-W119 PolarHBondContact O-N 2.95Å; C117-W119 VanDerWaalsContact O-N 3.12Å; C117-H120 WeakPolarHBondContact O-CB 3.35Å; C117-H120 PolarHBondContact O-N 2.97Å
118H84.1Confident88Confident166 Ų16669.4 Ų69.477%0.76933%0.331SS*.THydrogen-bonded Turntrans51.339.9177.9-66.755.4000112.5W114 Y115 C116 H120W114-H118 PolarHBondContact O-N 3.47Å; Y115-H118 PolarHBondContact O-N 3.48Å; C116-H118 PolarHBondContact O-N 3.3Å; C116-H118 PolarHBondContact O-ND1 2.74Å; C116-H118 VanDerWaalsContact O-ND1 3.11Å; H118-H120 PolarHBondContact O-N 3.26Å
119W85.3Confident87.6Confident52 Ų5266.5 Ų66.520%0.19732%0.322CS..THydrogen-bonded Turntrans62.28.2-179.2-49.994.9000114.9L53 S57 W114 Y115 C117 N121 H122 S125L53-W119 HydrophobicContact CB-CE3 4.43Å; L53-W119 HydrophobicContact CD1-CB 4.09Å; L53-W119 HydrophobicContact CD1-CG 4.27Å; L53-W119 HydrophobicContact CD2-CB 4.49Å; S57-W119 VanDerWaalsContact OG-CZ3 3.22Å; S57-W119 WeakPolarHBondContact OG-CZ3 3.41Å; W114-W119 HydrophobicContact CB-CE3 3.91Å; W114-W119 HydrophobicContact CB-CZ3 4Å; W114-W119 WeakPolarHBondContact O-CA 3.27Å; W114-W119 PolarHBondContact O-N 2.8Å; Y115-W119 AromaticContact CD2-CZ2 3.93Å; Y115-W119 HydrophobicContact CD2-CZ2 3.93Å; C117-W119 PolarHBondContact O-N 2.95Å; C117-W119 VanDerWaalsContact O-N 3.12Å; W119-N121 PolarHBondContact O-N 2.93Å; W119-H122 HydrophobicContact CB-CB 4.47Å; W119-H122 VanDerWaalsContact O-CB 3.24Å; W119-H122 WeakPolarHBondContact O-CB 3.35Å; W119-H122 PolarHBondContact O-N 3.14Å; W119-H122 VanDerWaalsContact O-N 3.1Å; W119-S125 WeakPolarHBondContact O-CB 3.46Å; W119-S125 PolarHBondContact O-OG 2.91Å
120H82.3Confident87.2Confident111 Ų11162.8 Ų62.851%0.51431%0.307SS..THydrogen-bonded Turntrans-62.6-31.9-173.9-167.974.3000112.8C117 H118 K129C117-H120 WeakPolarHBondContact O-CB 3.35Å; C117-H120 PolarHBondContact O-N 2.97Å; H118-H120 PolarHBondContact O-N 3.26Å; H120-K129 PolarHBondContact CD2-NZ 2.71Å; H120-K129 WeakPolarHBondContact CE1-CE 3.04Å; H120-K129 PolarHBondContact CE1-NZ 3.01Å; H120-K129 VanDerWaalsContact CG-NZ 3.3Å; H120-K129 WeakPolarHBondContact ND1-CE 3.36Å; H120-K129 PolarHBondContact ND1-NZ 2.87Å; H120-K129 WeakPolarHBondContact NE2-CE 3.48Å; H120-K129 PolarHBondContact NE2-NZ 3.1Å; H120-K129 WeakPolarHBondContact O-CE 3.28Å; H120-K129 PolarHBondContact O-NZ 2.67Å
121N83.5Confident86.7Confident42 Ų4260.4 Ų60.423%0.22529%0.294CS..THydrogen-bonded Turntrans-95.71.7-179.2-147.824.8000114Y113 W119 R126Y113-N121 HydrophobicContact CE1-CB 3.89Å; Y113-N121 VanDerWaalsContact CE1-ND2 3.33Å; Y113-N121 WeakPolarHBondContact CE1-ND2 3.38Å; Y113-N121 PolarHBondContact OH-ND2 3.07Å; W119-N121 PolarHBondContact O-N 2.93Å; N121-R126 VanDerWaalsContact CG-NH2 3.35Å; N121-R126 PolarHBondContact ND2-NH2 3.26Å; N121-R126 PolarHBondContact O-NE 3.47Å; N121-R126 PolarHBondContact OD1-NE 3.11Å; N121-R126 PolarHBondContact OD1-NH2 3.47Å
122H87.9Confident86.2Confident2 Ų260.6 Ų60.61%0.00930%0.297CS..SBendtrans-64.8143.9176.8-169.6-85.3000110.4L53 T56 W114 W119 I124 S125 R126L53-H122 HydrophobicContact CD2-CB 3.89Å; L53-H122 VanDerWaalsContact CD2-CG 3.45Å; L53-H122 WeakPolarHBondContact CD2-ND1 3.19Å; T56-H122 PolarHBondContact OG1-CE1 3.49Å; T56-H122 PolarHBondContact OG1-NE2 3.15Å; W114-H122 AromaticContact CD2-CD2 3.72Å; W114-H122 AromaticContact CE3-CD2 3.52Å; W114-H122 AromaticContact CZ3-CD2 3.83Å; W114-H122 AromaticContact CZ3-NE2 3.95Å; W119-H122 HydrophobicContact CB-CB 4.47Å; W119-H122 VanDerWaalsContact O-CB 3.24Å; W119-H122 WeakPolarHBondContact O-CB 3.35Å; W119-H122 PolarHBondContact O-N 3.14Å; W119-H122 VanDerWaalsContact O-N 3.1Å; H122-I124 VanDerWaalsContact C-N 3.32Å; H122-I124 PolarHBondContact ND1-N 3.48Å; H122-I124 VanDerWaalsContact ND1-N 3.2Å; H122-I124 PolarHBondContact O-N 3.42Å; H122-S125 WeakPolarHBondContact O-CB 3.43Å; H122-S125 PolarHBondContact O-N 3.38Å; H122-R126 PolarHBondContact O-N 2.79Å
123P86.8Confident85.1Confident55 Ų5563 Ų6336%0.35731%0.307SS..Hα-helixtrans-50-47.5179.2-30.135.1000113.9W114 S125 R126 T127W114-P123 HydrophobicContact CZ2-CG 4.48Å; P123-S125 VanDerWaalsContact C-N 3.34Å; P123-S125 PolarHBondContact O-N 2.71Å; P123-R126 WeakPolarHBondContact O-CB 3.07Å; P123-R126 PolarHBondContact O-N 3.01Å; P123-R126 VanDerWaalsContact O-N 3.14Å; P123-T127 PolarHBondContact O-N 2.87Å; P123-T127 PolarHBondContact O-OG1 2.81Å
124I86.9Confident83.4Confident1 Ų164.7 Ų64.71%0.00532%0.322CS..Hα-helixtrans-57.5-45.1176.6-62.7172.5000111.5I49 H52 L53 T56 H122 R126 T127 L128 I180 M182I49-I124 HydrophobicContact CG2-CG2 4.49Å; H52-I124 HydrophobicContact CB-CD1 4.09Å; L53-I124 HydrophobicContact CD2-CB 3.81Å; L53-I124 HydrophobicContact CD2-CD1 4.21Å; L53-I124 HydrophobicContact CD2-CG2 4.18Å; T56-I124 HydrophobicContact CG2-CD1 4.17Å; H122-I124 VanDerWaalsContact C-N 3.32Å; H122-I124 PolarHBondContact ND1-N 3.48Å; H122-I124 VanDerWaalsContact ND1-N 3.2Å; H122-I124 PolarHBondContact O-N 3.42Å; I124-R126 VanDerWaalsContact C-N 3.31Å; I124-R126 PolarHBondContact O-N 3.05Å; I124-T127 WeakPolarHBondContact O-CB 3.39Å; I124-T127 PolarHBondContact O-N 2.92Å; I124-L128 HydrophobicContact CG2-CD1 4.26Å; I124-L128 WeakPolarHBondContact O-CG 3.33Å; I124-L128 PolarHBondContact O-N 3.2Å; I124-I180 HydrophobicContact CD1-CD1 3.98Å; I124-I180 HydrophobicContact CD1-CG1 4.16Å; I124-I180 HydrophobicContact CG1-CB 4.46Å; I124-I180 HydrophobicContact CG1-CG1 4.42Å; I124-M182 HydrophobicContact CG2-CE 3.79Å
125S86.8Confident81.8Confident13 Ų1368.7 Ų68.79%0.09135%0.351CS..Hα-helixtrans-66.8-32.6178.6-55.90000112.6W119 H122 P123 L128 K129W119-S125 WeakPolarHBondContact O-CB 3.46Å; W119-S125 PolarHBondContact O-OG 2.91Å; H122-S125 WeakPolarHBondContact O-CB 3.43Å; H122-S125 PolarHBondContact O-N 3.38Å; P123-S125 VanDerWaalsContact C-N 3.34Å; P123-S125 PolarHBondContact O-N 2.71Å; S125-L128 PolarHBondContact O-N 3.26Å; S125-K129 WeakPolarHBondContact O-CG 3.07Å; S125-K129 PolarHBondContact O-N 3.14Å; S125-K129 VanDerWaalsContact O-N 3.07Å
126R86.2Confident80.4Confident141 Ų14171.2 Ų71.253%0.53236%0.361SS..Hα-helixtrans-66.7-42.7172.1-68.8179173.6-171.9-1.8111N121 H122 P123 I124 L128 K129 A130N121-R126 VanDerWaalsContact CG-NH2 3.35Å; N121-R126 PolarHBondContact ND2-NH2 3.26Å; N121-R126 PolarHBondContact O-NE 3.47Å; N121-R126 PolarHBondContact OD1-NE 3.11Å; N121-R126 PolarHBondContact OD1-NH2 3.47Å; H122-R126 PolarHBondContact O-N 2.79Å; P123-R126 WeakPolarHBondContact O-CB 3.07Å; P123-R126 PolarHBondContact O-N 3.01Å; P123-R126 VanDerWaalsContact O-N 3.14Å; I124-R126 VanDerWaalsContact C-N 3.31Å; I124-R126 PolarHBondContact O-N 3.05Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.39Å; R126-K129 PolarHBondContact O-N 2.83Å; R126-A130 PolarHBondContact O-N 2.67Å; R126-A130 VanDerWaalsContact O-N 3.11Å
127T84.8Confident79.5Confident42 Ų4268.6 Ų68.626%0.25834%0.344SS..Hα-helixtrans-60.4-42.5173.3-51.80000111.3P123 I124 K129 A130 H131 M182P123-T127 PolarHBondContact O-N 2.87Å; P123-T127 PolarHBondContact O-OG1 2.81Å; I124-T127 WeakPolarHBondContact O-CB 3.39Å; I124-T127 PolarHBondContact O-N 2.92Å; T127-K129 VanDerWaalsContact C-N 3.31Å; T127-K129 PolarHBondContact O-N 3.02Å; T127-A130 WeakPolarHBondContact O-CB 3.4Å; T127-A130 PolarHBondContact O-N 2.8Å; T127-A130 VanDerWaalsContact O-N 3.14Å; T127-H131 PolarHBondContact O-CD2 3.05Å; T127-H131 VanDerWaalsContact O-CD2 3.25Å; T127-M182 HydrophobicContact CG2-CB 4.1Å; T127-M182 HydrophobicContact CG2-CG 4.11Å; T127-M182 HydrophobicContact CG2-SD 4.28Å
128L86.8Confident79.3Confident5 Ų569.5 Ų69.53%0.02635%0.348CS..Hα-helixtrans-61.4-37.2175.9-71.7168.1000112.8I49 I124 S125 R126 A130 H131 A132 V142 A143 I146 M182I49-L128 HydrophobicContact CD1-CD1 4.39Å; I49-L128 HydrophobicContact CD1-CD2 4.28Å; I49-L128 HydrophobicContact CG2-CD1 3.83Å; I124-L128 HydrophobicContact CG2-CD1 4.26Å; I124-L128 WeakPolarHBondContact O-CG 3.33Å; I124-L128 PolarHBondContact O-N 3.2Å; S125-L128 PolarHBondContact O-N 3.26Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.39Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-H131 PolarHBondContact O-N 3.26Å; L128-A132 PolarHBondContact O-N 3.2Å; L128-V142 HydrophobicContact CD2-CB 4.33Å; L128-V142 HydrophobicContact CD2-CG1 3.73Å; L128-A143 HydrophobicContact CD1-CB 4.07Å; L128-I146 HydrophobicContact CD2-CD1 3.71Å; L128-M182 HydrophobicContact CD2-CE 4.23Å; L128-M182 HydrophobicContact CD2-SD 3.69Å; L128-M182 HydrophobicContact CG-CE 4.41Å; L128-M182 HydrophobicContact CG-SD 4.19Å
129K85.8Confident79.1Confident65 Ų6563.2 Ų63.228%0.28332%0.322SS..Hα-helixtrans-68.4-31.9175.2-72.4177.6-143170.30113H120 S125 R126 T127 H131 A132H120-K129 PolarHBondContact CD2-NZ 2.71Å; H120-K129 WeakPolarHBondContact CE1-CE 3.04Å; H120-K129 PolarHBondContact CE1-NZ 3.01Å; H120-K129 VanDerWaalsContact CG-NZ 3.3Å; H120-K129 WeakPolarHBondContact ND1-CE 3.36Å; H120-K129 PolarHBondContact ND1-NZ 2.87Å; H120-K129 WeakPolarHBondContact NE2-CE 3.48Å; H120-K129 PolarHBondContact NE2-NZ 3.1Å; H120-K129 WeakPolarHBondContact O-CE 3.28Å; H120-K129 PolarHBondContact O-NZ 2.67Å; S125-K129 WeakPolarHBondContact O-CG 3.07Å; S125-K129 PolarHBondContact O-N 3.14Å; S125-K129 VanDerWaalsContact O-N 3.07Å; R126-K129 PolarHBondContact O-N 2.83Å; T127-K129 VanDerWaalsContact C-N 3.31Å; T127-K129 PolarHBondContact O-N 3.02Å; K129-H131 PolarHBondContact O-N 3.13Å; K129-A132 WeakPolarHBondContact O-CB 3.44Å; K129-A132 PolarHBondContact O-N 2.88Å
130A83.4Confident79Confident30 Ų3062.8 Ų62.825%0.24833%0.334CS..Hα-helixtrans-60.9-26.9176.400000112.2R126 T127 L128 N219R126-A130 PolarHBondContact O-N 2.67Å; R126-A130 VanDerWaalsContact O-N 3.11Å; T127-A130 WeakPolarHBondContact O-CB 3.4Å; T127-A130 PolarHBondContact O-N 2.8Å; T127-A130 VanDerWaalsContact O-N 3.14Å; L128-A130 VanDerWaalsContact C-N 3.34Å; A130-N219 PolarHBondContact O-ND2 3.13Å; A130-N219 VanDerWaalsContact O-ND2 3.09Å
131H82.6Confident79.2Confident22 Ų2263.2 Ų63.210%0.10234%0.336CS..THydrogen-bonded Turntrans-95.7-3.8175.7-65.3-71.8000114T127 L128 K129 Q133 V142 W171 M182 V222T127-H131 PolarHBondContact O-CD2 3.05Å; T127-H131 VanDerWaalsContact O-CD2 3.25Å; L128-H131 PolarHBondContact O-N 3.26Å; K129-H131 PolarHBondContact O-N 3.13Å; H131-Q133 PolarHBondContact O-N 3.34Å; H131-V142 HydrophobicContact CB-CG1 4.35Å; H131-W171 HydrophobicContact CB-CH2 3.93Å; H131-W171 HydrophobicContact CB-CZ3 4.24Å; H131-W171 AromaticContact CG-CZ3 3.89Å; H131-M182 PolarHBondContact CE1-O 3.29Å; H131-M182 PolarHBondContact NE2-O 3.17Å; H131-V222 WeakPolarHBondContact CE1-CG2 3.41Å
132A80.8Confident79.4Confident21 Ų2161.7 Ų61.717%0.17433%0.328CS..  trans-83.4115.2178.700000109.9L128 K129 L134 V142L128-A132 PolarHBondContact O-N 3.2Å; K129-A132 WeakPolarHBondContact O-CB 3.44Å; K129-A132 PolarHBondContact O-N 2.88Å; A132-L134 PolarHBondContact O-N 2.9Å; A132-V142 HydrophobicContact CB-CG2 4.34Å
133Q68.9Low79.4Confident136 Ų13662.3 Ų62.364%0.63633%0.333SS*.  trans-88.796.7172.2-65.3178.1-1.800109H131 Y136 S137H131-Q133 PolarHBondContact O-N 3.34Å; Q133-Y136 PolarHBondContact O-N 2.95Å; Q133-Y136 VanDerWaalsContact O-N 3.14Å; Q133-S137 WeakPolarHBondContact CA-OG 3.2Å; Q133-S137 PolarHBondContact N-OG 3.36Å; Q133-S137 PolarHBondContact O-N 3.02Å; Q133-S137 PolarHBondContact O-OG 3.12Å
134L56.2Low79.5Confident143 Ų14362.3 Ų62.375%0.74934%0.338SS*.THydrogen-bonded Turntrans-70.1139.2172.1-79.3157.4000109.9A132A132-L134 PolarHBondContact O-N 2.9Å
135P56.2Low79.6Confident105 Ų10563.7 Ų63.768%0.68235%0.348SS*.THydrogen-bonded Turncis-92.6-5.59.134.5-34000115.5
136Y60.2Low79.8Confident211 Ų21163.1 Ų63.183%0.82734%0.344SS*.THydrogen-bonded Turntrans-78.3-26.6-168.7-62.2-77.9000114.7Q133Q133-Y136 PolarHBondContact O-N 2.95Å; Q133-Y136 VanDerWaalsContact O-N 3.14Å
137S69.2Low80.1Confident28 Ų2857.5 Ų57.520%0.19632%0.324CS..  trans-133.8126.7-17859.90000111.1Q133Q133-S137 WeakPolarHBondContact CA-OG 3.2Å; Q133-S137 PolarHBondContact N-OG 3.36Å; Q133-S137 PolarHBondContact O-N 3.02Å; Q133-S137 PolarHBondContact O-OG 3.12Å
138T80Confident80.3Confident69 Ų6962.6 Ų62.642%0.42334%0.339SS..  trans-93.3160.4170.563.90000109.2G140 H141 V142T138-G140 PolarHBondContact O-N 2.91Å; T138-H141 WeakPolarHBondContact O-CB 3.32Å; T138-H141 PolarHBondContact O-N 2.95Å; T138-H141 PolarHBondContact OG1-CD2 3.48Å; T138-V142 PolarHBondContact O-N 3.26Å
139S80.6Confident80.4Confident34 Ų3462.8 Ų62.824%0.23834%0.339CS..Hα-helixtrans-56-26.9175.2580000113.1A143S139-A143 WeakPolarHBondContact O-CB 3.42Å; S139-A143 PolarHBondContact O-N 3.03Å
140G83.9Confident80.6Confident42 Ų4259.8 Ų59.843%0.43333%0.326SS..Hα-helixtrans-67.9-38.6173.400000113.1T138 A143 A144T138-G140 PolarHBondContact O-N 2.91Å; G140-A143 PolarHBondContact O-N 3.29Å; G140-A144 WeakPolarHBondContact O-CB 3.36Å; G140-A144 PolarHBondContact O-N 2.8Å
141H85.1Confident80.8Confident120 Ų12065.5 Ų65.556%0.55634%0.341SS*.Hα-helixtrans-66.7-40174.7-72.4-60.9000112.1T138 A144 S145T138-H141 WeakPolarHBondContact O-CB 3.32Å; T138-H141 PolarHBondContact O-N 2.95Å; T138-H141 PolarHBondContact OG1-CD2 3.48Å; H141-A144 PolarHBondContact O-N 2.91Å; H141-S145 PolarHBondContact O-N 3.23Å
142V87.8Confident81.1Confident11 Ų1169.4 Ų69.47%0.06736%0.355CS..Hα-helixtrans-61.2-48.3174.7-178.80000110.3L128 H131 A132 T138 A144 S145 I146 W171L128-V142 HydrophobicContact CD2-CB 4.33Å; L128-V142 HydrophobicContact CD2-CG1 3.73Å; H131-V142 HydrophobicContact CB-CG1 4.35Å; A132-V142 HydrophobicContact CB-CG2 4.34Å; T138-V142 PolarHBondContact O-N 3.26Å; V142-A144 PolarHBondContact O-N 2.81Å; V142-S145 PolarHBondContact O-N 3.4Å; V142-I146 HydrophobicContact CG1-CD1 4.1Å; V142-I146 WeakPolarHBondContact O-CG1 3.2Å; V142-I146 PolarHBondContact O-N 2.81Å; V142-W171 HydrophobicContact CG1-CH2 3.53Å; V142-W171 HydrophobicContact CG1-CZ2 3.71Å; V142-W171 HydrophobicContact CG1-CZ3 4.47Å
143A88.4Confident81.2Confident14 Ų1476.4 Ų76.412%0.11639%0.388CS..Hα-helixtrans-59.5-43.8176.400000112.5I49 L128 S139 G140 S145 I146 N147I49-A143 HydrophobicContact CB-CB 4.35Å; I49-A143 HydrophobicContact CG1-CB 4.01Å; I49-A143 HydrophobicContact CG2-CB 4.2Å; L128-A143 HydrophobicContact CD1-CB 4.07Å; S139-A143 WeakPolarHBondContact O-CB 3.42Å; S139-A143 PolarHBondContact O-N 3.03Å; G140-A143 PolarHBondContact O-N 3.29Å; A143-S145 VanDerWaalsContact C-N 3.34Å; A143-S145 PolarHBondContact O-N 3.15Å; A143-I146 PolarHBondContact O-N 3.36Å; A143-N147 WeakPolarHBondContact O-CB 3.35Å; A143-N147 PolarHBondContact O-N 3.15Å
144A88.3Confident81.8Confident56 Ų5673.7 Ų73.746%0.46338%0.378SS..Hα-helixtrans-64.4-37.5177.200000112.4G140 H141 V142 R148G140-A144 WeakPolarHBondContact O-CB 3.36Å; G140-A144 PolarHBondContact O-N 2.8Å; H141-A144 PolarHBondContact O-N 2.91Å; V142-A144 PolarHBondContact O-N 2.81Å; A144-R148 VanDerWaalsContact O-CB 3.32Å; A144-R148 WeakPolarHBondContact O-CB 3.5Å; A144-R148 PolarHBondContact O-N 3.43Å
145S90.5Very high83.3Confident29 Ų2969.2 Ų69.220%0.20335%0.353CS..Hα-helixtrans-64.9-45.9175.2-164.40000111.5H141 V142 A143 R148 E149H141-S145 PolarHBondContact O-N 3.23Å; V142-S145 PolarHBondContact O-N 3.4Å; A143-S145 VanDerWaalsContact C-N 3.34Å; A143-S145 PolarHBondContact O-N 3.15Å; S145-R148 PolarHBondContact O-N 2.69Å; S145-E149 PolarHBondContact O-N 3.05Å
146I90.1Very high84.7Confident1 Ų165.6 Ų65.61%0.00533%0.328CS..Hα-helixtrans-60.3-48.2176.5-68.2167.8000110.3F48 I49 L128 V142 A143 R148 E149 F150 W171 L173 M182F48-I146 HydrophobicContact CD1-CG2 3.8Å; F48-I146 HydrophobicContact CE1-CG2 4.14Å; I49-I146 HydrophobicContact CD1-CD1 4.3Å; I49-I146 HydrophobicContact CD1-CG2 4.08Å; I49-I146 HydrophobicContact CG1-CG2 4.35Å; L128-I146 HydrophobicContact CD2-CD1 3.71Å; V142-I146 HydrophobicContact CG1-CD1 4.1Å; V142-I146 WeakPolarHBondContact O-CG1 3.2Å; V142-I146 PolarHBondContact O-N 2.81Å; A143-I146 PolarHBondContact O-N 3.36Å; I146-R148 VanDerWaalsContact C-N 3.29Å; I146-R148 PolarHBondContact O-N 2.84Å; I146-E149 PolarHBondContact O-N 3.31Å; I146-F150 VanDerWaalsContact O-CB 3.28Å; I146-F150 WeakPolarHBondContact O-CB 3.4Å; I146-F150 PolarHBondContact O-N 2.85Å; I146-W171 HydrophobicContact CD1-CD2 4.15Å; I146-W171 HydrophobicContact CD1-CE3 4.3Å; I146-W171 HydrophobicContact CD1-CZ2 4.38Å; I146-W171 HydrophobicContact CD1-CZ3 4.48Å; I146-W171 HydrophobicContact CG1-CD2 3.85Å; I146-W171 HydrophobicContact CG1-CE3 4.49Å; I146-W171 HydrophobicContact CG1-CG 4.02Å; I146-W171 HydrophobicContact CG1-CZ2 4.21Å; I146-L173 HydrophobicContact CD1-CD2 4.49Å; I146-L173 HydrophobicContact CG2-CD1 3.9Å; I146-M182 HydrophobicContact CD1-SD 3.98Å
147N92.2Very high86Confident23 Ų2358.3 Ų58.312%0.12331%0.306CS..Hα-helixtrans-58.7-41177.6-76.6-9.2000112D47 F48 I49 A143 R151D47-N147 PolarHBondContact OD1-ND2 2.9Å; F48-N147 WeakPolarHBondContact CB-OD1 3.39Å; F48-N147 PolarHBondContact N-OD1 3.36Å; F48-N147 VanDerWaalsContact N-OD1 3.16Å; I49-N147 PolarHBondContact N-OD1 3.22Å; A143-N147 WeakPolarHBondContact O-CB 3.35Å; A143-N147 PolarHBondContact O-N 3.15Å; N147-R151 WeakPolarHBondContact O-CG 3.31Å; N147-R151 PolarHBondContact O-N 3.19Å
148R90Very high86.7Confident150 Ų15057.8 Ų57.857%0.56630%0.301SS*.Hα-helixtrans-67.6-42.6178.1-177.1-177.463.5-178.5-3.3112.3A144 S145 I146 R151A144-R148 VanDerWaalsContact O-CB 3.32Å; A144-R148 WeakPolarHBondContact O-CB 3.5Å; A144-R148 PolarHBondContact O-N 3.43Å; S145-R148 PolarHBondContact O-N 2.69Å; I146-R148 VanDerWaalsContact C-N 3.29Å; I146-R148 PolarHBondContact O-N 2.84Å; R148-R151 PolarHBondContact O-N 3Å
149E89.1Confident86.6Confident8 Ų857.2 Ų57.24%0.03731%0.308CS..Hα-helixtrans-69.8-37.6177.3-75.2-174.8-140.100111.9S145 I146 R151 R152 T168 D169 S170S145-E149 PolarHBondContact O-N 3.05Å; I146-E149 PolarHBondContact O-N 3.31Å; E149-R151 PolarHBondContact O-N 3.14Å; E149-R152 WeakPolarHBondContact O-CB 3.37Å; E149-R152 WeakPolarHBondContact O-CG 3.25Å; E149-R152 PolarHBondContact O-N 2.81Å; E149-T168 HydrophobicContact CB-CG2 4.17Å; E149-T168 VanDerWaalsContact OE2-CB 3.31Å; E149-T168 WeakPolarHBondContact OE2-CB 3.45Å; E149-T168 PolarHBondContact OE2-OG1 3.47Å; E149-D169 PolarHBondContact OE2-N 3.34Å; E149-S170 VanDerWaalsContact OE1-CB 3.3Å; E149-S170 WeakPolarHBondContact OE1-CB 3.39Å; E149-S170 PolarHBondContact OE1-OG 2.7Å; E149-S170 PolarHBondContact OE2-N 3.11Å; E149-S170 PolarHBondContact OE2-OG 3.29Å
150F89.1Confident86.5Confident3 Ų357.8 Ų57.81%0.01331%0.31CS..Hα-helixtrans-62.1-30.8176.5-173.1-97.2000112.3E44 F48 I146 R152 K155 I166E44-F150 HydrophobicContact CG-CE1 4.01Å; E44-F150 HydrophobicContact CG-CZ 4.06Å; F48-F150 HydrophobicContact CB-CB 4.3Å; F48-F150 HydrophobicContact CB-CD1 3.97Å; F48-F150 HydrophobicContact CB-CG 4.03Å; F48-F150 AromaticContact CD2-CD1 3.98Å; F48-F150 HydrophobicContact CD2-CD1 3.98Å; F48-F150 AromaticContact CD2-CD2 3.61Å; F48-F150 HydrophobicContact CD2-CD2 3.61Å; F48-F150 AromaticContact CD2-CE1 3.95Å; F48-F150 HydrophobicContact CD2-CE1 3.95Å; F48-F150 AromaticContact CD2-CE2 3.59Å; F48-F150 HydrophobicContact CD2-CE2 3.59Å; F48-F150 AromaticContact CD2-CG 3.82Å; F48-F150 HydrophobicContact CD2-CG 3.82Å; F48-F150 AromaticContact CD2-CZ 3.76Å; F48-F150 HydrophobicContact CD2-CZ 3.76Å; F48-F150 AromaticContact CE2-CD2 3.91Å; F48-F150 HydrophobicContact CE2-CD2 3.91Å; F48-F150 AromaticContact CE2-CE2 3.7Å; F48-F150 HydrophobicContact CE2-CE2 3.7Å; F48-F150 HydrophobicContact CE2-CZ 4.17Å; F48-F150 HydrophobicContact CG-CB 4.49Å; F48-F150 HydrophobicContact CG-CD1 4.3Å; F48-F150 HydrophobicContact CG-CD2 4.17Å; F48-F150 HydrophobicContact CG-CG 4.04Å; I146-F150 VanDerWaalsContact O-CB 3.28Å; I146-F150 WeakPolarHBondContact O-CB 3.4Å; I146-F150 PolarHBondContact O-N 2.85Å; F150-R152 PolarHBondContact O-N 2.88Å; F150-K155 HydrophobicContact CD2-CD 4.06Å; F150-K155 HydrophobicContact CE2-CD 4.05Å; F150-K155 VanDerWaalsContact O-CD 3.27Å; F150-K155 WeakPolarHBondContact O-CD 2.99Å; F150-K155 VanDerWaalsContact O-CE 3.29Å; F150-K155 WeakPolarHBondContact O-CE 3.21Å; F150-K155 PolarHBondContact O-NZ 3.19Å; F150-I166 HydrophobicContact CD2-CD1 4.41Å; F150-I166 HydrophobicContact CD2-CG2 4.14Å; F150-I166 HydrophobicContact CE2-CD1 3.75Å; F150-I166 HydrophobicContact CE2-CG1 4.41Å; F150-I166 HydrophobicContact CE2-CG2 4.19Å
151R88.7Confident86Confident149 Ų14958.3 Ų58.356%0.56231%0.306SS*.THydrogen-bonded Turntrans-70.6-12.5175.9-74.2171.9-171.4-176.96.5114.2D45 I46 N147 R148 E149D45-R151 WeakPolarHBondContact O-CG 3.4Å; D45-R151 PolarHBondContact O-NE 2.74Å; I46-R151 VanDerWaalsContact O-CZ 3.31Å; I46-R151 PolarHBondContact O-NE 3.36Å; I46-R151 PolarHBondContact O-NH2 3.42Å; N147-R151 WeakPolarHBondContact O-CG 3.31Å; N147-R151 PolarHBondContact O-N 3.19Å; R148-R151 PolarHBondContact O-N 3Å; E149-R151 PolarHBondContact O-N 3.14Å
152R87.1Confident85.2Confident104 Ų10453.5 Ų53.539%0.39229%0.289SS..SBendtrans-73.4154.4179.5-56.5-178.1172.5177.4-3.9111E149 F150 D154 K155 D169E149-R152 WeakPolarHBondContact O-CB 3.37Å; E149-R152 WeakPolarHBondContact O-CG 3.25Å; E149-R152 PolarHBondContact O-N 2.81Å; F150-R152 PolarHBondContact O-N 2.88Å; R152-D154 WeakPolarHBondContact CB-OD1 3.43Å; R152-K155 WeakPolarHBondContact O-CG 3.28Å; R152-K155 PolarHBondContact O-NZ 3.2Å; R152-D169 IonicContact CZ-OD2 3.55Å; R152-D169 IonicContact NH1-OD2 2.64Å; R152-D169 PolarHBondContact NH1-OD2 3.03Å
153I82.7Confident84.8Confident169 Ų16955.8 Ų55.887%0.86731%0.309SS*.THydrogen-bonded Turntrans-81.8-28.9-176.2-59171000110.7K155I153-K155 PolarHBondContact O-N 3.21Å; I153-K155 VanDerWaalsContact O-N 3.13Å
154D83.4Confident84.8Confident78 Ų7856.5 Ų56.542%0.41731%0.308SS..THydrogen-bonded Turntrans-80.617.1-176.366.6-31.7000113.9R152 K240R152-D154 WeakPolarHBondContact CB-OD1 3.43Å; D154-K240 WeakPolarHBondContact O-CD 3.14Å; D154-K240 WeakPolarHBondContact O-CE 3.22Å; D154-K240 PolarHBondContact O-NZ 2.95Å; D154-K240 IonicContact OD1-NZ 2.64Å; D154-K240 IonicContact OD2-NZ 3.77Å; D154-K240 PolarHBondContact OD2-NZ 3.38Å
155K86.5Confident84.8Confident50 Ų5054.4 Ų54.422%0.21729%0.29CS..  trans-77.9139.717463.6174.4173.5-81.70110.4F150 R152 I153 V157F150-K155 HydrophobicContact CD2-CD 4.06Å; F150-K155 HydrophobicContact CE2-CD 4.05Å; F150-K155 VanDerWaalsContact O-CD 3.27Å; F150-K155 WeakPolarHBondContact O-CD 2.99Å; F150-K155 VanDerWaalsContact O-CE 3.29Å; F150-K155 WeakPolarHBondContact O-CE 3.21Å; F150-K155 PolarHBondContact O-NZ 3.19Å; R152-K155 WeakPolarHBondContact O-CG 3.28Å; R152-K155 PolarHBondContact O-NZ 3.2Å; I153-K155 PolarHBondContact O-N 3.21Å; I153-K155 VanDerWaalsContact O-N 3.13Å; K155-V157 HydrophobicContact CD-CG2 4.01Å; K155-V157 HydrophobicContact CG-CG2 4.11Å
156V85.6Confident84.8Confident28 Ų2853 Ų5317%0.1728%0.28CS..EExtended strand (participates in β ladder)trans-95.9124.2172.6176.10000108I158 I166 V167 K240V156-I158 HydrophobicContact CG1-CD1 3.87Å; V156-I158 HydrophobicContact CG1-CG1 3.85Å; V156-I166 CarbonylContact O-C 3.58Å; V156-I166 WeakPolarHBondContact O-CA 3.39Å; V156-V167 HydrophobicContact CB-CB 4.47Å; V156-V167 PolarHBondContact N-O 3.48Å; V156-V167 PolarHBondContact O-N 3.04Å; V156-K240 HydrophobicContact CG2-CB 3.72Å; V156-K240 HydrophobicContact CG2-CD 4.48Å; V156-K240 HydrophobicContact CG2-CG 3.97Å
157V86.6Confident84.7Confident59 Ų5953 Ų5336%0.35828%0.28SS..EExtended strand (participates in β ladder)trans-122.7115.4179.4-175.30000108.4K155 I166K155-V157 HydrophobicContact CD-CG2 4.01Å; K155-V157 HydrophobicContact CG-CG2 4.11Å; V157-I166 HydrophobicContact CG1-CG1 4.13Å; V157-I166 HydrophobicContact CG2-CG1 4.23Å; V157-I166 HydrophobicContact CG2-CG2 4.4Å
158I84.3Confident84.6Confident17 Ų1752 Ų529%0.08728%0.275CS..EExtended strand (participates in β ladder)trans-118.8128.9-176.2-59.3167.9000109V156 R164 V165 L229 D233 L237V156-I158 HydrophobicContact CG1-CD1 3.87Å; V156-I158 HydrophobicContact CG1-CG1 3.85Å; I158-R164 CarbonylContact O-C 3.51Å; I158-R164 VanDerWaalsContact O-CA 3.25Å; I158-R164 WeakPolarHBondContact O-CA 3.27Å; I158-R164 WeakPolarHBondContact O-CB 3.46Å; I158-V165 PolarHBondContact N-O 3.27Å; I158-V165 PolarHBondContact O-N 2.93Å; I158-L229 HydrophobicContact CD1-CD2 4.44Å; I158-L229 HydrophobicContact CG2-CB 4.08Å; I158-D233 HydrophobicContact CD1-CB 3.95Å; I158-D233 HydrophobicContact CG1-CB 4.15Å; I158-D233 HydrophobicContact CG2-CB 4.13Å; I158-L237 HydrophobicContact CD1-CB 4.03Å; I158-L237 HydrophobicContact CD1-CD1 4.1Å
159G79.1Confident84.4Confident56 Ų5645.8 Ų45.858%0.57725%0.253SS*.EExtended strand (participates in β ladder)trans92.4-163.8179.400000113.8
160V78.7Confident84.3Confident46 Ų4647.4 Ų47.428%0.27927%0.265SS..EExtended strand (participates in β ladder)trans-100.3151.6-162.1-57.40000111.2R27 G162 A163 R164R27-V160 VanDerWaalsContact CZ-CB 3.45Å; V160-G162 PolarHBondContact O-N 3.43Å; V160-A163 HydrophobicContact CG2-CB 3.93Å; V160-A163 WeakPolarHBondContact CG2-O 3.24Å; V160-A163 PolarHBondContact N-O 3.36Å; V160-A163 VanDerWaalsContact N-O 3.08Å; V160-A163 CarbonylContact O-C 3.05Å; V160-A163 PolarHBondContact O-N 3.41Å; V160-A163 VanDerWaalsContact O-O 3.12Å; V160-R164 WeakPolarHBondContact O-CB 3.17Å; V160-R164 WeakPolarHBondContact O-CG 3.33Å; V160-R164 PolarHBondContact O-N 2.97Å
161P72.3Confident84.3Confident53 Ų5347.9 Ų47.934%0.34427%0.267SS..THydrogen-bonded Turntrans-51.3-30.4-173.9-29.835.6000116.3R55R55-P161 PolarHBondContact NH1-O 3.28Å; R55-P161 VanDerWaalsContact NH1-O 3.14Å
162G68.1Low84.4Confident19 Ų1940.9 Ų40.920%0.19624%0.24CC..THydrogen-bonded Turntrans-86.5-18.9175.600000115.8V160 T176V160-G162 PolarHBondContact O-N 3.43Å; G162-T176 CarbonylContact O-C 3.6Å
163A80.4Confident84.6Confident59 Ų5935.9 Ų35.949%0.48822%0.222SC..EExtended strand (participates in β ladder)trans-150.387.2-177.700000109V160 V175V160-A163 HydrophobicContact CG2-CB 3.93Å; V160-A163 WeakPolarHBondContact CG2-O 3.24Å; V160-A163 PolarHBondContact N-O 3.36Å; V160-A163 VanDerWaalsContact N-O 3.08Å; V160-A163 CarbonylContact O-C 3.05Å; V160-A163 PolarHBondContact O-N 3.41Å; V160-A163 VanDerWaalsContact O-O 3.12Å; A163-V175 VanDerWaalsContact CA-O 3.3Å; A163-V175 WeakPolarHBondContact CA-O 3.15Å
164R87.9Confident85Confident30 Ų3030.4 Ų30.411%0.11319%0.191CC..EExtended strand (participates in β ladder)trans-142158.9-175.658.1-177.3-171.5-17810.7112.8E44 I158 V160 I166 V175E44-R164 IonicContact OE1-CZ 2.64Å; E44-R164 IonicContact OE1-NH2 2.71Å; E44-R164 PolarHBondContact OE1-NH2 2.65Å; E44-R164 IonicContact OE2-CZ 3.86Å; E44-R164 IonicContact OE2-NH1 2.6Å; E44-R164 IonicContact OE2-NH2 3.58Å; E44-R164 PolarHBondContact OE2-NH2 3.11Å; I158-R164 CarbonylContact O-C 3.51Å; I158-R164 VanDerWaalsContact O-CA 3.25Å; I158-R164 WeakPolarHBondContact O-CA 3.27Å; I158-R164 WeakPolarHBondContact O-CB 3.46Å; V160-R164 WeakPolarHBondContact O-CB 3.17Å; V160-R164 WeakPolarHBondContact O-CG 3.33Å; V160-R164 PolarHBondContact O-N 2.97Å; R164-I166 HydrophobicContact CG-CD1 4.39Å; R164-I166 HydrophobicContact CG-CG1 4.4Å; R164-V175 HydrophobicContact CG-CB 4.09Å; R164-V175 HydrophobicContact CG-CG2 4.44Å; R164-V175 PolarHBondContact N-O 3.49Å; R164-V175 VanDerWaalsContact N-O 3.14Å; R164-V175 PolarHBondContact O-N 2.83Å
165V89.1Confident85.3Confident11 Ų1126.7 Ų26.77%0.06717%0.172CC..EExtended strand (participates in β ladder)trans-110.2129.5173.41790000108.5I158 V167 L173 K174 I227I158-V165 PolarHBondContact N-O 3.27Å; I158-V165 PolarHBondContact O-N 2.93Å; V165-V167 HydrophobicContact CG1-CG2 4.21Å; V165-L173 CarbonylContact C-O 3.46Å; V165-L173 WeakPolarHBondContact CA-O 3.36Å; V165-K174 HydrophobicContact CG2-CG 4.31Å; V165-I227 HydrophobicContact CB-CG2 4.31Å; V165-I227 HydrophobicContact CG1-CD1 3.79Å; V165-I227 HydrophobicContact CG1-CG1 4.22Å; V165-I227 HydrophobicContact CG1-CG2 4.19Å; V165-I227 HydrophobicContact CG2-CB 4.25Å; V165-I227 HydrophobicContact CG2-CD1 4.42Å; V165-I227 HydrophobicContact CG2-CG1 3.92Å; V165-I227 HydrophobicContact CG2-CG2 3.67Å
166I90.2Very high85.4Confident0 Ų025.4 Ų25.40%017%0.168CC..EExtended strand (participates in β ladder)trans-120126.2178.6-59.9153000107.4F48 F150 V156 V157 R164 T168 L173 V175F48-I166 HydrophobicContact CE2-CD1 3.59Å; F48-I166 HydrophobicContact CZ-CD1 3.89Å; F150-I166 HydrophobicContact CD2-CD1 4.41Å; F150-I166 HydrophobicContact CD2-CG2 4.14Å; F150-I166 HydrophobicContact CE2-CD1 3.75Å; F150-I166 HydrophobicContact CE2-CG1 4.41Å; F150-I166 HydrophobicContact CE2-CG2 4.19Å; V156-I166 CarbonylContact O-C 3.58Å; V156-I166 WeakPolarHBondContact O-CA 3.39Å; V157-I166 HydrophobicContact CG1-CG1 4.13Å; V157-I166 HydrophobicContact CG2-CG1 4.23Å; V157-I166 HydrophobicContact CG2-CG2 4.4Å; R164-I166 HydrophobicContact CG-CD1 4.39Å; R164-I166 HydrophobicContact CG-CG1 4.4Å; I166-T168 HydrophobicContact CG2-CG2 4.22Å; I166-L173 HydrophobicContact CB-CB 4.27Å; I166-L173 PolarHBondContact N-O 3.43Å; I166-L173 PolarHBondContact O-N 3.4Å; I166-V175 HydrophobicContact CD1-CG2 3.91Å
167V88.6Confident85.3Confident1 Ų126.6 Ų26.61%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-117.4118.8175.7-178.90000108.9V156 V165 I172 Q185 L237 K240 L241V156-V167 HydrophobicContact CB-CB 4.47Å; V156-V167 PolarHBondContact N-O 3.48Å; V156-V167 PolarHBondContact O-N 3.04Å; V165-V167 HydrophobicContact CG1-CG2 4.21Å; V167-I172 HydrophobicContact CG2-CG2 4.33Å; V167-Q185 VanDerWaalsContact CG1-NE2 3.29Å; V167-L237 HydrophobicContact CB-CD1 4.1Å; V167-L237 HydrophobicContact CG2-CD1 3.32Å; V167-K240 HydrophobicContact CG1-CB 4.3Å; V167-K240 HydrophobicContact CG1-CG 3.93Å; V167-L241 HydrophobicContact CG1-CD2 3.94Å; V167-L241 HydrophobicContact CG1-CG 4.39Å
168T88.8Confident85.2Confident3 Ų328.7 Ų28.72%0.01818%0.177CC..  trans-102.1-162.3175.971.30000110E149 I166 W171 Q185E149-T168 HydrophobicContact CB-CG2 4.17Å; E149-T168 VanDerWaalsContact OE2-CB 3.31Å; E149-T168 WeakPolarHBondContact OE2-CB 3.45Å; E149-T168 PolarHBondContact OE2-OG1 3.47Å; I166-T168 HydrophobicContact CG2-CG2 4.22Å; T168-W171 PolarHBondContact N-O 3Å; T168-W171 WeakPolarHBondContact OG1-CB 3.34Å; T168-W171 PolarHBondContact OG1-N 3.01Å; T168-Q185 PolarHBondContact O-NE2 3.24Å
169D85.9Confident85.3Confident18 Ų1831.9 Ų31.910%0.09619%0.192CC..SBendtrans-73.8-34.8176.7-65-40000112.6E149 R152 K240E149-D169 PolarHBondContact OE2-N 3.34Å; R152-D169 IonicContact CZ-OD2 3.55Å; R152-D169 IonicContact NH1-OD2 2.64Å; R152-D169 PolarHBondContact NH1-OD2 3.03Å; D169-K240 WeakPolarHBondContact OD1-CE 3.29Å; D169-K240 IonicContact OD1-NZ 3.46Å; D169-K240 PolarHBondContact OD1-NZ 3.31Å
170S86.9Confident85.9Confident42 Ų4229.3 Ų29.329%0.29417%0.165SC..SBendtrans-114.6-19.8-175.7-39.30000113E149 L184 Q185E149-S170 VanDerWaalsContact OE1-CB 3.3Å; E149-S170 WeakPolarHBondContact OE1-CB 3.39Å; E149-S170 PolarHBondContact OE1-OG 2.7Å; E149-S170 PolarHBondContact OE2-N 3.11Å; E149-S170 PolarHBondContact OE2-OG 3.29Å; S170-L184 CarbonylContact O-C 3.57Å; S170-L184 WeakPolarHBondContact O-CA 3.43Å; S170-L184 WeakPolarHBondContact O-CD1 3.29Å; S170-Q185 PolarHBondContact O-N 3.28Å
171W90.2Very high86.3Confident14 Ų1428.7 Ų28.75%0.05316%0.16CC..EExtended strand (participates in β ladder)trans-120.2147.9-169.5-60.389.6000113H131 V142 I146 T168 L173 L184 Q185H131-W171 HydrophobicContact CB-CH2 3.93Å; H131-W171 HydrophobicContact CB-CZ3 4.24Å; H131-W171 AromaticContact CG-CZ3 3.89Å; V142-W171 HydrophobicContact CG1-CH2 3.53Å; V142-W171 HydrophobicContact CG1-CZ2 3.71Å; V142-W171 HydrophobicContact CG1-CZ3 4.47Å; I146-W171 HydrophobicContact CD1-CD2 4.15Å; I146-W171 HydrophobicContact CD1-CE3 4.3Å; I146-W171 HydrophobicContact CD1-CZ2 4.38Å; I146-W171 HydrophobicContact CD1-CZ3 4.48Å; I146-W171 HydrophobicContact CG1-CD2 3.85Å; I146-W171 HydrophobicContact CG1-CE3 4.49Å; I146-W171 HydrophobicContact CG1-CG 4.02Å; I146-W171 HydrophobicContact CG1-CZ2 4.21Å; T168-W171 PolarHBondContact N-O 3Å; T168-W171 WeakPolarHBondContact OG1-CB 3.34Å; T168-W171 PolarHBondContact OG1-N 3.01Å; W171-L173 HydrophobicContact CB-CD2 4.04Å; W171-L173 HydrophobicContact CB-CG 4.09Å; W171-L184 HydrophobicContact CD2-CD1 3.89Å; W171-L184 HydrophobicContact CE3-CD1 4.03Å; W171-L184 HydrophobicContact CH2-CD1 3.74Å; W171-L184 HydrophobicContact CZ2-CD1 3.58Å; W171-L184 HydrophobicContact CZ3-CB 4.42Å; W171-L184 HydrophobicContact CZ3-CD1 3.96Å; W171-Q185 PolarHBondContact O-NE2 3.43Å
172I89.9Confident87.2Confident1 Ų126.2 Ų26.21%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-115.4117.1162.7-54.6176.8000106.2V167 A183 Q185 V190 V215 F225 I227 L241V167-I172 HydrophobicContact CG2-CG2 4.33Å; I172-A183 PolarHBondContact N-O 3.28Å; I172-A183 PolarHBondContact O-N 3.02Å; I172-Q185 HydrophobicContact CD1-CG 4.11Å; I172-Q185 HydrophobicContact CG1-CG 3.67Å; I172-V190 HydrophobicContact CD1-CG2 4Å; I172-V215 HydrophobicContact CD1-CG1 4.26Å; I172-V215 HydrophobicContact CG2-CG2 4.41Å; I172-F225 HydrophobicContact CG2-CE2 4.25Å; I172-F225 HydrophobicContact CG2-CZ 4.12Å; I172-I227 HydrophobicContact CG2-CD1 3.85Å; I172-L241 HydrophobicContact CD1-CD2 3.53Å; I172-L241 HydrophobicContact CG1-CD2 3.96Å
173L91.1Very high88.2Confident0 Ų025.3 Ų25.30%014%0.135CC..EExtended strand (participates in β ladder)trans-118.8124.6-176.2-52.6171.5000108.7F48 I146 V165 I166 W171 D181 M182F48-L173 HydrophobicContact CE1-CD1 3.87Å; F48-L173 HydrophobicContact CZ-CD1 4.03Å; I146-L173 HydrophobicContact CD1-CD2 4.49Å; I146-L173 HydrophobicContact CG2-CD1 3.9Å; V165-L173 CarbonylContact C-O 3.46Å; V165-L173 WeakPolarHBondContact CA-O 3.36Å; I166-L173 HydrophobicContact CB-CB 4.27Å; I166-L173 PolarHBondContact N-O 3.43Å; I166-L173 PolarHBondContact O-N 3.4Å; W171-L173 HydrophobicContact CB-CD2 4.04Å; W171-L173 HydrophobicContact CB-CG 4.09Å; L173-D181 WeakPolarHBondContact CA-O 3.21Å; L173-M182 HydrophobicContact CD2-CB 3.95Å; L173-M182 HydrophobicContact CD2-CG 3.69Å; L173-M182 HydrophobicContact CD2-SD 4.41Å
174K91.3Very high88.5Confident53 Ų5324.3 Ų24.323%0.2312%0.121CC..EExtended strand (participates in β ladder)trans-109.4113.4170.3-179.9-175.5173.5-1690108.8V165 T176 I180 D181 F225 N226V165-K174 HydrophobicContact CG2-CG 4.31Å; K174-T176 HydrophobicContact CG-CG2 4.32Å; K174-I180 WeakPolarHBondContact O-CA 3.36Å; K174-D181 HydrophobicContact CB-CB 4.19Å; K174-D181 PolarHBondContact N-O 3.11Å; K174-D181 PolarHBondContact O-N 3.26Å; K174-F225 HydrophobicContact CB-CD2 3.88Å; K174-F225 HydrophobicContact CB-CE2 3.81Å; K174-F225 HydrophobicContact CD-CD2 3.81Å; K174-N226 WeakPolarHBondContact CD-O 3.1Å; K174-N226 VanDerWaalsContact CE-O 3.24Å; K174-N226 WeakPolarHBondContact CE-O 3.48Å; K174-N226 PolarHBondContact NZ-O 3.49Å
175V90.4Very high88.4Confident1 Ų123.1 Ų23.11%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-91.4122.5178.61800000108.5F48 A163 R164 I166 I180F48-V175 HydrophobicContact CE2-CG2 4.46Å; F48-V175 HydrophobicContact CZ-CG2 4Å; A163-V175 VanDerWaalsContact CA-O 3.3Å; A163-V175 WeakPolarHBondContact CA-O 3.15Å; R164-V175 HydrophobicContact CG-CB 4.09Å; R164-V175 HydrophobicContact CG-CG2 4.44Å; R164-V175 PolarHBondContact N-O 3.49Å; R164-V175 VanDerWaalsContact N-O 3.14Å; R164-V175 PolarHBondContact O-N 2.83Å; I166-V175 HydrophobicContact CD1-CG2 3.91Å; V175-I180 HydrophobicContact CG2-CD1 4.44Å
176T87.3Confident88.1Confident23 Ų2326.8 Ų26.814%0.14114%0.142CC..  trans-118.8178.117175.40000110.7R55 G162 K174 Y178 H179R55-T176 PolarHBondContact NH2-O 3.18Å; G162-T176 CarbonylContact O-C 3.6Å; K174-T176 HydrophobicContact CG-CG2 4.32Å; T176-Y178 VanDerWaalsContact C-N 3.31Å; T176-Y178 PolarHBondContact O-N 2.76Å; T176-H179 PolarHBondContact N-O 3.44Å; T176-H179 PolarHBondContact OG1-CE1 3.17Å; T176-H179 PolarHBondContact OG1-N 3.06Å; T176-H179 VanDerWaalsContact OG1-N 3.15Å; T176-H179 PolarHBondContact OG1-ND1 2.66Å; T176-H179 PolarHBondContact OG1-NE2 3.46Å; T176-H179 PolarHBondContact OG1-O 2.79Å
177T84.6Confident87.8Confident52 Ų5229 Ų2932%0.31916%0.155SC..SBendtrans-57.7-39.9179.1-49.80000112.9T59T59-T177 HydrophobicContact CG2-CG2 3.77Å
178Y84.3Confident87.5Confident103 Ų10329 Ų2940%0.40416%0.155SC..SBendtrans-117.9-19.4-170.7-58-72000114.9T59 V60 H63 T176T59-Y178 HydrophobicContact CG2-CD1 4.5Å; T59-Y178 HydrophobicContact CG2-CE1 4.1Å; V60-Y178 HydrophobicContact CG2-CD1 4.23Å; H63-Y178 AromaticContact ND1-CE1 3.75Å; H63-Y178 AromaticContact ND1-CZ 3.55Å; H63-Y178 PolarHBondContact ND1-OH 3.35Å; T176-Y178 VanDerWaalsContact C-N 3.31Å; T176-Y178 PolarHBondContact O-N 2.76Å
179H86.4Confident87.1Confident85 Ų8531.5 Ų31.539%0.39417%0.166SC..  trans-144.2163.8-17854.9-83.9000111.4T176 D181T176-H179 PolarHBondContact N-O 3.44Å; T176-H179 PolarHBondContact OG1-CE1 3.17Å; T176-H179 PolarHBondContact OG1-N 3.06Å; T176-H179 VanDerWaalsContact OG1-N 3.15Å; T176-H179 PolarHBondContact OG1-ND1 2.66Å; T176-H179 PolarHBondContact OG1-NE2 3.46Å; T176-H179 PolarHBondContact OG1-O 2.79Å; H179-D181 IonicContact CD2-OD1 3.73Å; H179-D181 PolarHBondContact CD2-OD1 3.16Å; H179-D181 IonicContact CD2-OD2 3.79Å; H179-D181 IonicContact NE2-OD2 3.87Å
180I90.8Very high86.8Confident2 Ų230.7 Ų30.71%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-123.4121173.3-59.4-176.9000107.2H52 I124 K174 V175 M182H52-I180 HydrophobicContact CB-CD1 3.39Å; H52-I180 WeakPolarHBondContact CD2-CD1 3.38Å; I124-I180 HydrophobicContact CD1-CD1 3.98Å; I124-I180 HydrophobicContact CD1-CG1 4.16Å; I124-I180 HydrophobicContact CG1-CB 4.46Å; I124-I180 HydrophobicContact CG1-CG1 4.42Å; K174-I180 WeakPolarHBondContact O-CA 3.36Å; V175-I180 HydrophobicContact CG2-CD1 4.44Å; I180-M182 HydrophobicContact CB-CE 4.02Å; I180-M182 HydrophobicContact CG2-CE 3.64Å; I180-M182 HydrophobicContact CG2-CG 3.95Å
181D89Confident86.2Confident33 Ų3329.9 Ų29.918%0.17616%0.155CC..EExtended strand (participates in β ladder)trans-87.7137.7170.6-51.6-52.7000108.5L173 K174 H179 F225L173-D181 WeakPolarHBondContact CA-O 3.21Å; K174-D181 HydrophobicContact CB-CB 4.19Å; K174-D181 PolarHBondContact N-O 3.11Å; K174-D181 PolarHBondContact O-N 3.26Å; H179-D181 IonicContact CD2-OD1 3.73Å; H179-D181 PolarHBondContact CD2-OD1 3.16Å; H179-D181 IonicContact CD2-OD2 3.79Å; H179-D181 IonicContact NE2-OD2 3.87Å; D181-F225 HydrophobicContact CB-CB 4.08Å; D181-F225 HydrophobicContact CB-CD1 3.55Å; D181-F225 HydrophobicContact CB-CD2 4.12Å; D181-F225 HydrophobicContact CB-CE1 3.9Å; D181-F225 HydrophobicContact CB-CE2 4.42Å; D181-F225 HydrophobicContact CB-CG 3.66Å; D181-F225 HydrophobicContact CB-CZ 4.32Å
182M90.3Very high85.5Confident1 Ų129.2 Ų29.21%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-134.5130.2-175.8-52.8179.9-178.700108.6I49 I124 T127 L128 H131 I146 L173 I180 V222I49-M182 HydrophobicContact CD1-CE 3.81Å; I124-M182 HydrophobicContact CG2-CE 3.79Å; T127-M182 HydrophobicContact CG2-CB 4.1Å; T127-M182 HydrophobicContact CG2-CG 4.11Å; T127-M182 HydrophobicContact CG2-SD 4.28Å; L128-M182 HydrophobicContact CD2-CE 4.23Å; L128-M182 HydrophobicContact CD2-SD 3.69Å; L128-M182 HydrophobicContact CG-CE 4.41Å; L128-M182 HydrophobicContact CG-SD 4.19Å; H131-M182 PolarHBondContact CE1-O 3.29Å; H131-M182 PolarHBondContact NE2-O 3.17Å; I146-M182 HydrophobicContact CD1-SD 3.98Å; L173-M182 HydrophobicContact CD2-CB 3.95Å; L173-M182 HydrophobicContact CD2-CG 3.69Å; L173-M182 HydrophobicContact CD2-SD 4.41Å; I180-M182 HydrophobicContact CB-CE 4.02Å; I180-M182 HydrophobicContact CG2-CE 3.64Å; I180-M182 HydrophobicContact CG2-CG 3.95Å; M182-V222 WeakPolarHBondContact O-CG1 3.35Å
183A88.3Confident84.6Confident0 Ų031.6 Ų31.60%017%0.167CC..EExtended strand (participates in β ladder)trans-133.5143.6170.300000110.3I172 C188 V215 F225I172-A183 PolarHBondContact N-O 3.28Å; I172-A183 PolarHBondContact O-N 3.02Å; A183-C188 HydrophobicContact CB-CB 4.33Å; A183-V215 HydrophobicContact CB-CG1 3.89Å; A183-F225 HydrophobicContact CB-CE1 3.85Å; A183-F225 HydrophobicContact CB-CZ 4.06Å
184L87.7Confident83.3Confident38 Ų3834.1 Ų34.120%0.19918%0.181CC..EExtended strand (participates in β ladder)trans-83.4134172.7-160.774000109S170 W171 S186 D187 C188S170-L184 CarbonylContact O-C 3.57Å; S170-L184 WeakPolarHBondContact O-CA 3.43Å; S170-L184 WeakPolarHBondContact O-CD1 3.29Å; W171-L184 HydrophobicContact CD2-CD1 3.89Å; W171-L184 HydrophobicContact CE3-CD1 4.03Å; W171-L184 HydrophobicContact CH2-CD1 3.74Å; W171-L184 HydrophobicContact CZ2-CD1 3.58Å; W171-L184 HydrophobicContact CZ3-CB 4.42Å; W171-L184 HydrophobicContact CZ3-CD1 3.96Å; L184-S186 VanDerWaalsContact C-N 3.32Å; L184-S186 WeakPolarHBondContact CD2-OG 3.44Å; L184-S186 PolarHBondContact O-N 3.4Å; L184-D187 HydrophobicContact CB-CB 4.26Å; L184-D187 CarbonylContact O-C 3.53Å; L184-D187 PolarHBondContact O-N 2.78Å; L184-D187 VanDerWaalsContact O-N 3.08Å; L184-C188 WeakPolarHBondContact O-CB 3.28Å; L184-C188 PolarHBondContact O-N 3.15Å; L184-C188 PolarHBondContact O-SG 2.83Å
185Q85.9Confident82.2Confident5 Ų532.8 Ų32.82%0.02318%0.178CC..G310 helixtrans-64-35.4-176.2-76.5-170.138.500113.1V167 T168 S170 W171 I172 D187 C188 A243V167-Q185 VanDerWaalsContact CG1-NE2 3.29Å; T168-Q185 PolarHBondContact O-NE2 3.24Å; S170-Q185 PolarHBondContact O-N 3.28Å; W171-Q185 PolarHBondContact O-NE2 3.43Å; I172-Q185 HydrophobicContact CD1-CG 4.11Å; I172-Q185 HydrophobicContact CG1-CG 3.67Å; Q185-D187 PolarHBondContact O-N 3.08Å; Q185-C188 PolarHBondContact O-SG 2.93Å; Q185-A243 WeakPolarHBondContact O-CB 3.32Å
186S82.6Confident80.8Confident87 Ų8740.6 Ų40.661%0.60821%0.207SC*.G310 helixtrans-65-27.2175.357.90000112.7L184L184-S186 VanDerWaalsContact C-N 3.32Å; L184-S186 WeakPolarHBondContact CD2-OG 3.44Å; L184-S186 PolarHBondContact O-N 3.4Å
187D83.1Confident79.2Confident48 Ų4845 Ų4526%0.25723%0.226SC..G310 helixtrans-113.224.4-169.1-57.94.5000110.9L184 Q185 S217 I218L184-D187 HydrophobicContact CB-CB 4.26Å; L184-D187 CarbonylContact O-C 3.53Å; L184-D187 PolarHBondContact O-N 2.78Å; L184-D187 VanDerWaalsContact O-N 3.08Å; Q185-D187 PolarHBondContact O-N 3.08Å; D187-S217 CarbonylContact O-C 3.5Å; D187-S217 WeakPolarHBondContact O-CA 3.3Å; D187-S217 PolarHBondContact O-OG 2.78Å; D187-I218 PolarHBondContact O-N 2.83Å
188C82.1Confident78Confident1 Ų148 Ų481%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-135153.6-179.178.80000113.4A183 L184 Q185 V215 E216 A243A183-C188 HydrophobicContact CB-CB 4.33Å; L184-C188 WeakPolarHBondContact O-CB 3.28Å; L184-C188 PolarHBondContact O-N 3.15Å; L184-C188 PolarHBondContact O-SG 2.83Å; Q185-C188 PolarHBondContact O-SG 2.93Å; C188-V215 HydrophobicContact CB-CG1 4.12Å; C188-E216 CarbonylContact C-O 3.58Å; C188-E216 WeakPolarHBondContact CA-O 3.06Å; C188-E216 WeakPolarHBondContact CB-O 3.44Å; C188-A243 VanDerWaalsContact SG-CB 3.56Å
189H81.1Confident76.2Confident54 Ų5451 Ų5125%0.2525%0.254CS..EExtended strand (participates in β ladder)trans-119.7129.9168.5-61.3-54.4000107.8E216H189-E216 PolarHBondContact N-O 3.14Å; H189-E216 PolarHBondContact O-N 3.26Å
190V79.4Confident74.5Confident2 Ų254 Ų541%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-102.9115.9178.3-176.60000107.3I172 L213 V215 L241 A243 P244 I245 R246I172-V190 HydrophobicContact CD1-CG2 4Å; V190-L213 HydrophobicContact CG1-CB 3.89Å; V190-L213 HydrophobicContact CG1-CD2 3.61Å; V190-L213 HydrophobicContact CG1-CG 4.4Å; V190-V215 HydrophobicContact CG2-CG2 4.35Å; V190-L241 HydrophobicContact CG2-CD1 4.47Å; V190-A243 HydrophobicContact CG2-CB 4.3Å; V190-P244 PolarHBondContact N-O 2.87Å; V190-I245 HydrophobicContact CB-CG1 4.46Å; V190-I245 CarbonylContact O-C 3.38Å; V190-I245 VanDerWaalsContact O-CA 3.3Å; V190-I245 WeakPolarHBondContact O-CA 3.42Å; V190-R246 PolarHBondContact O-N 3.45Å
191T75.6Confident72.4Confident24 Ų2455.5 Ų55.515%0.14728%0.283CS..EExtended strand (participates in β ladder)trans-109124.8-179.7-56.80000110.3T193 L213 R214 R246T191-T193 HydrophobicContact CG2-CG2 4.39Å; T191-T193 PolarHBondContact O-N 2.9Å; T191-L213 CarbonylContact O-C 3.59Å; T191-L213 WeakPolarHBondContact O-CA 3.35Å; T191-R214 PolarHBondContact N-O 3.46Å; T191-R214 PolarHBondContact O-N 3.41Å; T191-R246 CarbonylContact C-O 3.52Å; T191-R246 WeakPolarHBondContact CA-O 3.11Å
192V73.9Confident70.7Confident0 Ų060.2 Ų60.20%032%0.315CS..EExtended strand (participates in β ladder)trans-77.3117.9172.4-166.40000108.6L213 I245 R246 S248 V251 I253V192-L213 HydrophobicContact CG2-CD2 3.97Å; V192-L213 HydrophobicContact CG2-CG 4.19Å; V192-I245 HydrophobicContact CG2-CG2 3.9Å; V192-R246 PolarHBondContact N-O 3.49Å; V192-S248 WeakPolarHBondContact O-CB 3.25Å; V192-S248 PolarHBondContact O-N 3.04Å; V192-V251 HydrophobicContact CG1-CG1 3.95Å; V192-I253 HydrophobicContact CB-CD1 3.88Å; V192-I253 HydrophobicContact CB-CG1 4.3Å; V192-I253 HydrophobicContact CG1-CD1 3.92Å; V192-I253 HydrophobicContact CG1-CG1 3.95Å; V192-I253 HydrophobicContact CG2-CD1 3.67Å
193T70.9Confident69.1Low52 Ų5266.3 Ų66.332%0.31935%0.348SS..EExtended strand (participates in β ladder)trans-107.8-25.6-168.952.10000114.9T191 S212 R214 V251T191-T193 HydrophobicContact CG2-CG2 4.39Å; T191-T193 PolarHBondContact O-N 2.9Å; T193-S212 PolarHBondContact N-O 3.42Å; T193-S212 PolarHBondContact OG1-O 3.02Å; T193-R214 HydrophobicContact CG2-CB 3.53Å; T193-V251 WeakPolarHBondContact O-CG2 3.43Å
194D64Low67.3Low53 Ų5367.7 Ų67.728%0.28336%0.357SS..EExtended strand (participates in β ladder)trans-153.7150.2177.6-161.512.1000110.1R196 S212D194-R196 IonicContact OD2-CZ 3.56Å; D194-R196 IonicContact OD2-NE 2.83Å; D194-R196 PolarHBondContact OD2-NE 3.32Å; D194-R196 IonicContact OD2-NH2 3.39Å; D194-R196 PolarHBondContact OD2-NH2 3.39Å; D194-S212 PolarHBondContact N-O 3.35Å; D194-S212 PolarHBondContact O-N 3.39Å
195S68.2Low65.6Low25 Ų2572.9 Ų72.918%0.17539%0.393CS..EExtended strand (participates in β ladder)trans-130121.51671770000108.6E209S195-E209 WeakPolarHBondContact OG-CG 3.47Å; S195-E209 PolarHBondContact OG-OE1 2.99Å
196R61.7Low64Low165 Ų16575.8 Ų75.862%0.62341%0.414SS*.EExtended strand (participates in β ladder)trans-121.3120.6179.5-64.8-170.7-175.9-166.4-1.6110.6D194 I210D194-R196 IonicContact OD2-CZ 3.56Å; D194-R196 IonicContact OD2-NE 2.83Å; D194-R196 PolarHBondContact OD2-NE 3.32Å; D194-R196 IonicContact OD2-NH2 3.39Å; D194-R196 PolarHBondContact OD2-NH2 3.39Å; R196-I210 PolarHBondContact N-O 3.45Å; R196-I210 PolarHBondContact O-N 3.15Å
197Q54.1Low62.7Low114 Ų11476 Ų7653%0.53341%0.414SS..EExtended strand (participates in β ladder)trans-85.8127170.5-69.4-176.7-10.100110.3E209Q197-E209 HydrophobicContact CG-CB 4.09Å; Q197-E209 HydrophobicContact CG-CG 4Å; Q197-E209 PolarHBondContact NE2-OE2 2.64Å; Q197-E209 VanDerWaalsContact NE2-OE2 3.12Å
198H58.2Low61.8Low115 Ų11574.9 Ų74.953%0.53241%0.407SS..EExtended strand (participates in β ladder)trans-108.9114.6171.1-128.559.6000108.8L200 P207 I208H198-L200 PolarHBondContact CD2-O 2.7Å; H198-L200 VanDerWaalsContact CD2-O 3.28Å; H198-L200 PolarHBondContact O-N 2.97Å; H198-P207 WeakPolarHBondContact O-CA 3.46Å; H198-I208 PolarHBondContact N-O 3.28Å; H198-I208 PolarHBondContact O-N 3.32Å
199Q47.8Very low61.2Low166 Ų16675.6 Ų75.678%0.77641%0.411SS*.SBendtrans-74.2-14-179.9-67.8-1750.100113
200L49.4Very low61.1Low150 Ų15076.3 Ų76.379%0.78542%0.415SS*.  trans-130.999-177.4-70165.3000109.2H198H198-L200 PolarHBondContact CD2-O 2.7Å; H198-L200 VanDerWaalsContact CD2-O 3.28Å; H198-L200 PolarHBondContact O-N 2.97Å
201S46.7Very low61Low32 Ų3276.3 Ų76.322%0.22442%0.415CS..BIsolated β-bridgetrans-105.7135.5165.1-177.80000109.1D203 I208S201-D203 PolarHBondContact O-N 2.91Å; S201-D203 PolarHBondContact OG-N 3.42Å; S201-I208 WeakPolarHBondContact OG-CD1 3.44Å
202P54.9Low61.2Low133 Ų13376.1 Ų76.186%0.86442%0.415SS*.THydrogen-bonded Turntrans-58.9-27.8174-19.630.1000113.1
203D55.9Low61.6Low128 Ų12876.1 Ų76.168%0.68442%0.415SS*.THydrogen-bonded Turntrans-96.9-12.5-168.5-66.9-30.3000114S201S201-D203 PolarHBondContact O-N 2.91Å; S201-D203 PolarHBondContact OG-N 3.42Å
204S51.4Low62.2Low29 Ų2978.5 Ų78.520%0.20342%0.419CS..BIsolated β-bridgetrans-151139.3176.871.30000113.2S206 I208S204-S206 PolarHBondContact O-N 3.47Å; S204-S206 PolarHBondContact OG-O 3.13Å; S204-I208 WeakPolarHBondContact OG-CD1 3.22Å; S204-I208 WeakPolarHBondContact OG-CG1 3.29Å
205P50.3Low63.2Low147 Ų14776 Ų7696%0.95541%0.405SS*.SBendtrans-73.4-5.2176.730.5-34.9000114
206S52.4Low64Low66 Ų6678.3 Ų78.346%0.46241%0.413SS..SBendtrans-92145.7175.551.60000111.8S204 I208S204-S206 PolarHBondContact O-N 3.47Å; S204-S206 PolarHBondContact OG-O 3.13Å; S206-I208 PolarHBondContact O-N 3.29Å
207P56.7Low65Low92 Ų9271.7 Ų71.760%0.59739%0.392SS*.PPolyproline II helixtrans-58.8127172.624-31.8000110.1H198H198-P207 WeakPolarHBondContact O-CA 3.46Å
208I63.3Low66.3Low24 Ų2471.5 Ų71.512%0.12339%0.393CS..EExtended strand (participates in β ladder)trans-97129.3178.1-61-173.4000108.6H198 S201 S204 S206 I210 N230H198-I208 PolarHBondContact N-O 3.28Å; H198-I208 PolarHBondContact O-N 3.32Å; S201-I208 WeakPolarHBondContact OG-CD1 3.44Å; S204-I208 WeakPolarHBondContact OG-CD1 3.22Å; S204-I208 WeakPolarHBondContact OG-CG1 3.29Å; S206-I208 PolarHBondContact O-N 3.29Å; I208-I210 HydrophobicContact CG2-CG1 4.16Å; I208-N230 HydrophobicContact CG2-CB 4.38Å; I208-N230 WeakPolarHBondContact CG2-ND2 3.41Å; I208-N230 WeakPolarHBondContact CG2-OD1 3.27Å
209E69.8Low67.3Low17 Ų1768.1 Ų68.18%0.07938%0.379CS..EExtended strand (participates in β ladder)trans-98.1117.9170.9-175169.7157.300109.2S195 Q197 L211 N230 S231 H254S195-E209 WeakPolarHBondContact OG-CG 3.47Å; S195-E209 PolarHBondContact OG-OE1 2.99Å; Q197-E209 HydrophobicContact CG-CB 4.09Å; Q197-E209 HydrophobicContact CG-CG 4Å; Q197-E209 PolarHBondContact NE2-OE2 2.64Å; Q197-E209 VanDerWaalsContact NE2-OE2 3.12Å; E209-L211 HydrophobicContact CG-CD2 4.41Å; E209-N230 CarbonylContact O-C 3.5Å; E209-S231 PolarHBondContact O-N 3.06Å; E209-H254 PolarHBondContact OE1-N 3.19Å
210I78.6Confident68.6Low68 Ų6866.1 Ų66.135%0.34938%0.381SS..EExtended strand (participates in β ladder)trans-97.5116.2177.1-56.5176.5000108R196 I208 L229R196-I210 PolarHBondContact N-O 3.45Å; R196-I210 PolarHBondContact O-N 3.15Å; I208-I210 HydrophobicContact CG2-CG1 4.16Å; I210-L229 CarbonylContact C-O 3.43Å; I210-L229 WeakPolarHBondContact CA-O 3.44Å
211L76.6Confident70Confident2 Ų263.2 Ų63.21%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-90130.8174.1-61.3174.4000109.6E209 L213 S228 L229 Y234 I253E209-L211 HydrophobicContact CG-CD2 4.41Å; L211-L213 HydrophobicContact CB-CD1 4.32Å; L211-S228 WeakPolarHBondContact O-CA 3.33Å; L211-L229 HydrophobicContact CB-CD1 4.11Å; L211-L229 HydrophobicContact CD1-CD1 4.23Å; L211-L229 PolarHBondContact N-O 2.6Å; L211-L229 PolarHBondContact O-N 3.3Å; L211-Y234 HydrophobicContact CD1-CD1 4.2Å; L211-Y234 HydrophobicContact CD1-CD2 3.7Å; L211-Y234 HydrophobicContact CD1-CE2 4.32Å; L211-Y234 HydrophobicContact CD1-CG 3.63Å; L211-I253 HydrophobicContact CD2-CG2 4.42Å
212S80.7Confident71.6Confident21 Ų2162.4 Ų62.415%0.14736%0.363CS..EExtended strand (participates in β ladder)trans-105.7113.8171.5-60.90000110.3T193 D194 I227 S228T193-S212 PolarHBondContact N-O 3.42Å; T193-S212 PolarHBondContact OG1-O 3.02Å; D194-S212 PolarHBondContact N-O 3.35Å; D194-S212 PolarHBondContact O-N 3.39Å; S212-I227 CarbonylContact C-O 3.55Å; S212-I227 WeakPolarHBondContact CA-O 3.42Å; S212-S228 PolarHBondContact OG-OG 3.36Å
213L82.8Confident72.9Confident0 Ų066.2 Ų66.20%036%0.36CS..EExtended strand (participates in β ladder)trans-104.2136.2178.2-52.193000109.9V190 T191 V192 L211 N226 I227 L229 Y234 L237V190-L213 HydrophobicContact CG1-CB 3.89Å; V190-L213 HydrophobicContact CG1-CD2 3.61Å; V190-L213 HydrophobicContact CG1-CG 4.4Å; T191-L213 CarbonylContact O-C 3.59Å; T191-L213 WeakPolarHBondContact O-CA 3.35Å; V192-L213 HydrophobicContact CG2-CD2 3.97Å; V192-L213 HydrophobicContact CG2-CG 4.19Å; L211-L213 HydrophobicContact CB-CD1 4.32Å; L213-N226 CarbonylContact O-C 3.46Å; L213-N226 VanDerWaalsContact O-CA 3.3Å; L213-N226 WeakPolarHBondContact O-CA 3.11Å; L213-I227 HydrophobicContact CB-CB 4.48Å; L213-I227 HydrophobicContact CD1-CG2 4.3Å; L213-I227 PolarHBondContact N-O 2.85Å; L213-I227 PolarHBondContact O-N 2.89Å; L213-L229 HydrophobicContact CD1-CD1 4.25Å; L213-L229 HydrophobicContact CD1-CD2 3.34Å; L213-L229 HydrophobicContact CD1-CG 3.59Å; L213-Y234 HydrophobicContact CD2-CE2 4.11Å; L213-L237 HydrophobicContact CD2-CD2 4.28Å
214R83.6Confident74.3Confident102 Ų10263.3 Ų63.339%0.38535%0.348SS..EExtended strand (participates in β ladder)trans-101122.9171.5-173.4176-147.6-178.74109.2T191 T193 E216 N226T191-R214 PolarHBondContact N-O 3.46Å; T191-R214 PolarHBondContact O-N 3.41Å; T193-R214 HydrophobicContact CG2-CB 3.53Å; R214-E216 HydrophobicContact CG-CG 3.94Å; R214-E216 IonicContact CZ-OE1 2.71Å; R214-E216 IonicContact NE-OE1 3.06Å; R214-E216 IonicContact NH1-OE1 3.04Å; R214-N226 WeakPolarHBondContact CG-OD1 3.45Å
215V85.1Confident75.9Confident0 Ų062.4 Ų62.40%034%0.341CS..EExtended strand (participates in β ladder)trans-96.4117174-174.60000107.9I172 A183 C188 V190 P224 F225 I227I172-V215 HydrophobicContact CD1-CG1 4.26Å; I172-V215 HydrophobicContact CG2-CG2 4.41Å; A183-V215 HydrophobicContact CB-CG1 3.89Å; C188-V215 HydrophobicContact CB-CG1 4.12Å; V190-V215 HydrophobicContact CG2-CG2 4.35Å; V215-P224 VanDerWaalsContact O-CA 3.29Å; V215-P224 WeakPolarHBondContact O-CA 3.4Å; V215-F225 HydrophobicContact CB-CD1 4.39Å; V215-F225 HydrophobicContact CB-CD2 4.23Å; V215-F225 HydrophobicContact CB-CE1 4.04Å; V215-F225 HydrophobicContact CB-CE2 3.87Å; V215-F225 HydrophobicContact CB-CG 4.5Å; V215-F225 HydrophobicContact CB-CZ 3.76Å; V215-F225 HydrophobicContact CG1-CE1 4.01Å; V215-F225 HydrophobicContact CG1-CE2 4.36Å; V215-F225 HydrophobicContact CG1-CZ 3.79Å; V215-F225 HydrophobicContact CG2-CD2 4.33Å; V215-F225 HydrophobicContact CG2-CE2 3.81Å; V215-F225 HydrophobicContact CG2-CZ 4.08Å; V215-F225 PolarHBondContact N-O 3.36Å; V215-F225 PolarHBondContact O-N 2.88Å; V215-F225 VanDerWaalsContact O-N 3.15Å; V215-I227 HydrophobicContact CG2-CD1 3.43Å; V215-I227 VanDerWaalsContact CG2-CD1 3.43Å; V215-I227 HydrophobicContact CG2-CG1 4.17Å
216E83.4Confident77.6Confident74 Ų7459.1 Ų59.135%0.34632%0.315SS..EExtended strand (participates in β ladder)trans-113.8128.3176.6-59.1-172.5133.500108.5C188 H189 R214 P224C188-E216 CarbonylContact C-O 3.58Å; C188-E216 WeakPolarHBondContact CA-O 3.06Å; C188-E216 WeakPolarHBondContact CB-O 3.44Å; H189-E216 PolarHBondContact N-O 3.14Å; H189-E216 PolarHBondContact O-N 3.26Å; R214-E216 HydrophobicContact CG-CG 3.94Å; R214-E216 IonicContact CZ-OE1 2.71Å; R214-E216 IonicContact NE-OE1 3.06Å; R214-E216 IonicContact NH1-OE1 3.04Å; E216-P224 HydrophobicContact CG-CB 4.02Å
217S83.9Confident79.2Confident25 Ų2556.2 Ų56.218%0.17529%0.294CS..EExtended strand (participates in β ladder)trans-92.4148.3174.1-171.90000110.5D187 N219D187-S217 CarbonylContact O-C 3.5Å; D187-S217 WeakPolarHBondContact O-CA 3.3Å; D187-S217 PolarHBondContact O-OG 2.78Å; S217-N219 PolarHBondContact O-N 3.46Å; S217-N219 PolarHBondContact OG-N 2.88Å
218I81.4Confident80.4Confident110 Ų11055.5 Ų55.556%0.56429%0.292SS*.SBendtrans-65.1-29.2169.4-57.2174000110.1D187 P220D187-I218 PolarHBondContact O-N 2.83Å; I218-P220 WeakPolarHBondContact O-CD 3.46Å
219N78.8Confident81.2Confident44 Ų4454.7 Ų54.724%0.23529%0.287CS..SBendtrans-76.5116.1177.4-176.7-9.8000110.7A130 S217 T221 V222A130-N219 PolarHBondContact O-ND2 3.13Å; A130-N219 VanDerWaalsContact O-ND2 3.09Å; S217-N219 PolarHBondContact O-N 3.46Å; S217-N219 PolarHBondContact OG-N 2.88Å; N219-T221 PolarHBondContact ND2-OG1 3.43Å; N219-T221 VanDerWaalsContact ND2-OG1 3.11Å; N219-T221 PolarHBondContact O-N 2.82Å; N219-T221 VanDerWaalsContact O-N 3.12Å; N219-T221 WeakPolarHBondContact OD1-CB 3.5Å; N219-T221 PolarHBondContact OD1-N 3.21Å; N219-T221 PolarHBondContact OD1-OG1 3.36Å; N219-V222 HydrophobicContact CB-CG2 4.14Å; N219-V222 PolarHBondContact O-N 3.37Å; N219-V222 VanDerWaalsContact O-N 3.08Å
220P76Confident81.6Confident125 Ų12555.8 Ų55.881%0.81229%0.294SS*.THydrogen-bonded Turntrans-68.1-14.4-176.228.6-36.4000113.6I218 V222I218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-V222 PolarHBondContact O-N 3.11Å
221T78.1Confident81.2Confident89 Ų8954.9 Ų54.955%0.54629%0.293SS..THydrogen-bonded Turntrans-73.8-18.9175.664.20000112.5N219N219-T221 PolarHBondContact ND2-OG1 3.43Å; N219-T221 VanDerWaalsContact ND2-OG1 3.11Å; N219-T221 PolarHBondContact O-N 2.82Å; N219-T221 VanDerWaalsContact O-N 3.12Å; N219-T221 WeakPolarHBondContact OD1-CB 3.5Å; N219-T221 PolarHBondContact OD1-N 3.21Å; N219-T221 PolarHBondContact OD1-OG1 3.36Å
222V80.3Confident81Confident15 Ų1558.9 Ų58.99%0.09132%0.318CS..SBendtrans-95.7118.9-179.5-176.70000108.7H131 M182 N219 P220H131-V222 WeakPolarHBondContact CE1-CG2 3.41Å; M182-V222 WeakPolarHBondContact O-CG1 3.35Å; N219-V222 HydrophobicContact CB-CG2 4.14Å; N219-V222 PolarHBondContact O-N 3.37Å; N219-V222 VanDerWaalsContact O-N 3.08Å; P220-V222 PolarHBondContact O-N 3.11Å
223R81.8Confident80.8Confident213 Ų21360.5 Ų60.580%0.80433%0.325SS*.PPolyproline II helixtrans-72138.1178.6-66.2-177179.9-170.5-1.4110.2
224P85.2Confident80.5Confident66 Ų6661.8 Ų61.843%0.42933%0.33SS..PPolyproline II helixtrans-66.4142.6174.929.1-34.8000110.2V215 E216V215-P224 VanDerWaalsContact O-CA 3.29Å; V215-P224 WeakPolarHBondContact O-CA 3.4Å; E216-P224 HydrophobicContact CG-CB 4.02Å
225F86.1Confident79.9Confident11 Ų1160.8 Ų60.85%0.04834%0.335CS..EExtended strand (participates in β ladder)trans-135150.8-179.261.1-90.1000111.7I172 K174 D181 A183 V215 I227I172-F225 HydrophobicContact CG2-CE2 4.25Å; I172-F225 HydrophobicContact CG2-CZ 4.12Å; K174-F225 HydrophobicContact CB-CD2 3.88Å; K174-F225 HydrophobicContact CB-CE2 3.81Å; K174-F225 HydrophobicContact CD-CD2 3.81Å; D181-F225 HydrophobicContact CB-CB 4.08Å; D181-F225 HydrophobicContact CB-CD1 3.55Å; D181-F225 HydrophobicContact CB-CD2 4.12Å; D181-F225 HydrophobicContact CB-CE1 3.9Å; D181-F225 HydrophobicContact CB-CE2 4.42Å; D181-F225 HydrophobicContact CB-CG 3.66Å; D181-F225 HydrophobicContact CB-CZ 4.32Å; A183-F225 HydrophobicContact CB-CE1 3.85Å; A183-F225 HydrophobicContact CB-CZ 4.06Å; V215-F225 HydrophobicContact CB-CD1 4.39Å; V215-F225 HydrophobicContact CB-CD2 4.23Å; V215-F225 HydrophobicContact CB-CE1 4.04Å; V215-F225 HydrophobicContact CB-CE2 3.87Å; V215-F225 HydrophobicContact CB-CG 4.5Å; V215-F225 HydrophobicContact CB-CZ 3.76Å; V215-F225 HydrophobicContact CG1-CE1 4.01Å; V215-F225 HydrophobicContact CG1-CE2 4.36Å; V215-F225 HydrophobicContact CG1-CZ 3.79Å; V215-F225 HydrophobicContact CG2-CD2 4.33Å; V215-F225 HydrophobicContact CG2-CE2 3.81Å; V215-F225 HydrophobicContact CG2-CZ 4.08Å; V215-F225 PolarHBondContact N-O 3.36Å; V215-F225 PolarHBondContact O-N 2.88Å; V215-F225 VanDerWaalsContact O-N 3.15Å; F225-I227 HydrophobicContact CD2-CG1 4.12Å; F225-I227 HydrophobicContact CE2-CD1 3.93Å; F225-I227 HydrophobicContact CE2-CG1 3.98Å
226N86.1Confident79.5Confident78 Ų7865.8 Ų65.842%0.41736%0.362SS..EExtended strand (participates in β ladder)trans-98.9138.5179.8-63.4-15.7000111K174 L213 R214K174-N226 WeakPolarHBondContact CD-O 3.1Å; K174-N226 VanDerWaalsContact CE-O 3.24Å; K174-N226 WeakPolarHBondContact CE-O 3.48Å; K174-N226 PolarHBondContact NZ-O 3.49Å; L213-N226 CarbonylContact O-C 3.46Å; L213-N226 VanDerWaalsContact O-CA 3.3Å; L213-N226 WeakPolarHBondContact O-CA 3.11Å; R214-N226 WeakPolarHBondContact CG-OD1 3.45Å
227I85.8Confident79.3Confident5 Ų562.4 Ų62.43%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-112.8134.9173.3-66.3170000107.2V165 I172 S212 L213 V215 F225 L229V165-I227 HydrophobicContact CB-CG2 4.31Å; V165-I227 HydrophobicContact CG1-CD1 3.79Å; V165-I227 HydrophobicContact CG1-CG1 4.22Å; V165-I227 HydrophobicContact CG1-CG2 4.19Å; V165-I227 HydrophobicContact CG2-CB 4.25Å; V165-I227 HydrophobicContact CG2-CD1 4.42Å; V165-I227 HydrophobicContact CG2-CG1 3.92Å; V165-I227 HydrophobicContact CG2-CG2 3.67Å; I172-I227 HydrophobicContact CG2-CD1 3.85Å; S212-I227 CarbonylContact C-O 3.55Å; S212-I227 WeakPolarHBondContact CA-O 3.42Å; L213-I227 HydrophobicContact CB-CB 4.48Å; L213-I227 HydrophobicContact CD1-CG2 4.3Å; L213-I227 PolarHBondContact N-O 2.85Å; L213-I227 PolarHBondContact O-N 2.89Å; V215-I227 HydrophobicContact CG2-CD1 3.43Å; V215-I227 VanDerWaalsContact CG2-CD1 3.43Å; V215-I227 HydrophobicContact CG2-CG1 4.17Å; F225-I227 HydrophobicContact CD2-CG1 4.12Å; F225-I227 HydrophobicContact CE2-CD1 3.93Å; F225-I227 HydrophobicContact CE2-CG1 3.98Å; I227-L229 HydrophobicContact CG2-CD2 4.05Å
228S80.9Confident79Confident77 Ų7767.4 Ų67.454%0.53836%0.361SS..EExtended strand (participates in β ladder)trans-118.4130.5171.8-59.10000108.9L211 S212L211-S228 WeakPolarHBondContact O-CA 3.33Å; S212-S228 PolarHBondContact OG-OG 3.36Å
229L81.3Confident78.6Confident7 Ų765.6 Ų65.64%0.03737%0.369CS..EExtended strand (participates in β ladder)trans-145.4158.5-177.859.388.8000111.6I158 I210 L211 L213 I227 Y234 L237I158-L229 HydrophobicContact CD1-CD2 4.44Å; I158-L229 HydrophobicContact CG2-CB 4.08Å; I210-L229 CarbonylContact C-O 3.43Å; I210-L229 WeakPolarHBondContact CA-O 3.44Å; L211-L229 HydrophobicContact CB-CD1 4.11Å; L211-L229 HydrophobicContact CD1-CD1 4.23Å; L211-L229 PolarHBondContact N-O 2.6Å; L211-L229 PolarHBondContact O-N 3.3Å; L213-L229 HydrophobicContact CD1-CD1 4.25Å; L213-L229 HydrophobicContact CD1-CD2 3.34Å; L213-L229 HydrophobicContact CD1-CG 3.59Å; I227-L229 HydrophobicContact CG2-CD2 4.05Å; L229-Y234 HydrophobicContact CD1-CD2 4.13Å; L229-Y234 HydrophobicContact CD1-CG 4.42Å; L229-L237 HydrophobicContact CD2-CD2 3.22Å; L229-L237 HydrophobicContact CD2-CG 4.37Å
230N76.5Confident78.7Confident40 Ų4065 Ų6521%0.21437%0.365CS..EExtended strand (participates in β ladder)trans-72.8143.6173.4-170.2-21.2000110I208 E209 T232 D233 Y234I208-N230 HydrophobicContact CG2-CB 4.38Å; I208-N230 WeakPolarHBondContact CG2-ND2 3.41Å; I208-N230 WeakPolarHBondContact CG2-OD1 3.27Å; E209-N230 CarbonylContact O-C 3.5Å; N230-T232 PolarHBondContact ND2-OG1 3.24Å; N230-T232 PolarHBondContact O-N 3.46Å; N230-T232 VanDerWaalsContact O-N 3.14Å; N230-T232 PolarHBondContact OD1-N 3.23Å; N230-T232 PolarHBondContact OD1-OG1 3.37Å; N230-D233 PolarHBondContact O-N 3.32Å; N230-Y234 PolarHBondContact O-N 3.18Å
231S71.8Confident78.8Confident48 Ų4860 Ų6034%0.33633%0.331SS..Hα-helixtrans-54.4-28.1174620000113.2E209 D233 Y234E209-S231 PolarHBondContact O-N 3.06Å; S231-D233 VanDerWaalsContact C-N 3.35Å; S231-Y234 VanDerWaalsContact O-CB 3.31Å; S231-Y234 WeakPolarHBondContact O-CB 3.29Å; S231-Y234 PolarHBondContact O-N 2.76Å
232T71.4Confident78.3Confident86 Ų8664.6 Ų64.653%0.52834%0.339SS..Hα-helixtrans-64.4-37.3172.857.10000113.1N230 Y234 T235N230-T232 PolarHBondContact ND2-OG1 3.24Å; N230-T232 PolarHBondContact O-N 3.46Å; N230-T232 VanDerWaalsContact O-N 3.14Å; N230-T232 PolarHBondContact OD1-N 3.23Å; N230-T232 PolarHBondContact OD1-OG1 3.37Å; T232-Y234 VanDerWaalsContact C-N 3.28Å; T232-T235 PolarHBondContact O-OG1 3.37Å
233D76.7Confident77.6Confident55 Ų5564.2 Ų64.229%0.29434%0.337SS..Hα-helixtrans-84.6-10.6-177.1-52.7-25.6000111.3I158 N230 S231 T235 D236 L237I158-D233 HydrophobicContact CD1-CB 3.95Å; I158-D233 HydrophobicContact CG1-CB 4.15Å; I158-D233 HydrophobicContact CG2-CB 4.13Å; N230-D233 PolarHBondContact O-N 3.32Å; S231-D233 VanDerWaalsContact C-N 3.35Å; D233-T235 VanDerWaalsContact C-N 3.35Å; D233-T235 PolarHBondContact O-N 2.86Å; D233-D236 PolarHBondContact O-N 2.91Å; D233-L237 WeakPolarHBondContact O-CB 3.47Å; D233-L237 PolarHBondContact O-N 2.86Å
234Y76.1Confident76.8Confident28 Ų2857.4 Ų57.411%0.1132%0.32CS..Hα-helixtrans-65.5-36.2-179.7-178.5-110000112.4L211 L213 L229 N230 S231 T232 L237 R238L211-Y234 HydrophobicContact CD1-CD1 4.2Å; L211-Y234 HydrophobicContact CD1-CD2 3.7Å; L211-Y234 HydrophobicContact CD1-CE2 4.32Å; L211-Y234 HydrophobicContact CD1-CG 3.63Å; L213-Y234 HydrophobicContact CD2-CE2 4.11Å; L229-Y234 HydrophobicContact CD1-CD2 4.13Å; L229-Y234 HydrophobicContact CD1-CG 4.42Å; N230-Y234 PolarHBondContact O-N 3.18Å; S231-Y234 VanDerWaalsContact O-CB 3.31Å; S231-Y234 WeakPolarHBondContact O-CB 3.29Å; S231-Y234 PolarHBondContact O-N 2.76Å; T232-Y234 VanDerWaalsContact C-N 3.28Å; Y234-L237 PolarHBondContact O-N 3.24Å; Y234-R238 WeakPolarHBondContact O-CB 3.28Å; Y234-R238 PolarHBondContact O-N 3.44Å
235T71.4Confident75.9Confident81 Ų8156.6 Ų56.650%0.49731%0.312SS..Hα-helixtrans-64.4-41.9177.939.60000111.8T232 D233 R238 G239T232-T235 PolarHBondContact O-OG1 3.37Å; D233-T235 VanDerWaalsContact C-N 3.35Å; D233-T235 PolarHBondContact O-N 2.86Å; T235-R238 PolarHBondContact O-N 3.3Å; T235-G239 PolarHBondContact O-N 3.41Å
236D76.6Confident74.6Confident104 Ų10463.1 Ų63.156%0.55634%0.336SS*.Hα-helixtrans-70.6-41.5179.6-66.4-7.8000110.6D233 G239 K240D233-D236 PolarHBondContact O-N 2.91Å; D236-G239 PolarHBondContact O-N 3.47Å; D236-K240 PolarHBondContact O-N 3.39Å
237L79.3Confident73.2Confident3 Ų363.5 Ų63.52%0.01634%0.342CS..Hα-helixtrans-59.6-48.4172.9-173.872.2000111.3I158 V167 L213 L229 D233 Y234 G239 K240 L241I158-L237 HydrophobicContact CD1-CB 4.03Å; I158-L237 HydrophobicContact CD1-CD1 4.1Å; V167-L237 HydrophobicContact CB-CD1 4.1Å; V167-L237 HydrophobicContact CG2-CD1 3.32Å; L213-L237 HydrophobicContact CD2-CD2 4.28Å; L229-L237 HydrophobicContact CD2-CD2 3.22Å; L229-L237 HydrophobicContact CD2-CG 4.37Å; D233-L237 WeakPolarHBondContact O-CB 3.47Å; D233-L237 PolarHBondContact O-N 2.86Å; Y234-L237 PolarHBondContact O-N 3.24Å; L237-G239 VanDerWaalsContact C-N 3.29Å; L237-G239 PolarHBondContact O-N 2.92Å; L237-K240 PolarHBondContact O-N 3.46Å; L237-L241 HydrophobicContact CD1-CD1 4.19Å; L237-L241 HydrophobicContact CD1-CG 4.22Å; L237-L241 HydrophobicContact CD2-CD1 3.88Å; L237-L241 HydrophobicContact CG-CD1 3.62Å; L237-L241 HydrophobicContact CG-CG 4.05Å; L237-L241 WeakPolarHBondContact O-CB 3.4Å; L237-L241 VanDerWaalsContact O-CG 3.3Å; L237-L241 WeakPolarHBondContact O-CG 3.26Å; L237-L241 PolarHBondContact O-N 2.71Å
238R77.1Confident71.7Confident131 Ų13164.9 Ų64.949%0.49435%0.352SS..Hα-helixtrans-62.3-37179-177.5179.5-178.4-164.62.4111.5Y234 T235 K240 I245Y234-R238 WeakPolarHBondContact O-CB 3.28Å; Y234-R238 PolarHBondContact O-N 3.44Å; T235-R238 PolarHBondContact O-N 3.3Å; R238-K240 VanDerWaalsContact C-N 3.28Å; R238-K240 PolarHBondContact O-N 3.35Å; R238-I245 HydrophobicContact CB-CD1 4.32Å; R238-I245 HydrophobicContact CG-CD1 4.09Å
239G73.1Confident69.9Low71 Ų7167.2 Ų67.273%0.73237%0.365SS*.Hα-helixtrans-64.7-31.8176.600000113.2T235 D236 L237T235-G239 PolarHBondContact O-N 3.41Å; D236-G239 PolarHBondContact O-N 3.47Å; L237-G239 VanDerWaalsContact C-N 3.29Å; L237-G239 PolarHBondContact O-N 2.92Å
240K81.1Confident68.1Low32 Ų3274.1 Ų74.114%0.13940%0.402CS..Hα-helixtrans-91.6-31-179.2-165.569.7-174-1780113.8D154 V156 V167 D169 D236 L237 R238 R242D154-K240 WeakPolarHBondContact O-CD 3.14Å; D154-K240 WeakPolarHBondContact O-CE 3.22Å; D154-K240 PolarHBondContact O-NZ 2.95Å; D154-K240 IonicContact OD1-NZ 2.64Å; D154-K240 IonicContact OD2-NZ 3.77Å; D154-K240 PolarHBondContact OD2-NZ 3.38Å; V156-K240 HydrophobicContact CG2-CB 3.72Å; V156-K240 HydrophobicContact CG2-CD 4.48Å; V156-K240 HydrophobicContact CG2-CG 3.97Å; V167-K240 HydrophobicContact CG1-CB 4.3Å; V167-K240 HydrophobicContact CG1-CG 3.93Å; D169-K240 WeakPolarHBondContact OD1-CE 3.29Å; D169-K240 IonicContact OD1-NZ 3.46Å; D169-K240 PolarHBondContact OD1-NZ 3.31Å; D236-K240 PolarHBondContact O-N 3.39Å; L237-K240 PolarHBondContact O-N 3.46Å; R238-K240 VanDerWaalsContact C-N 3.28Å; R238-K240 PolarHBondContact O-N 3.35Å; K240-R242 PolarHBondContact O-N 2.89Å
241L77.9Confident66.5Low20 Ų2073 Ų7311%0.10540%0.396CS..  trans-67.9119.7-179.3-78.5174.4000111.6V167 I172 V190 L237 I245V167-L241 HydrophobicContact CG1-CD2 3.94Å; V167-L241 HydrophobicContact CG1-CG 4.39Å; I172-L241 HydrophobicContact CD1-CD2 3.53Å; I172-L241 HydrophobicContact CG1-CD2 3.96Å; V190-L241 HydrophobicContact CG2-CD1 4.47Å; L237-L241 HydrophobicContact CD1-CD1 4.19Å; L237-L241 HydrophobicContact CD1-CG 4.22Å; L237-L241 HydrophobicContact CD2-CD1 3.88Å; L237-L241 HydrophobicContact CG-CD1 3.62Å; L237-L241 HydrophobicContact CG-CG 4.05Å; L237-L241 WeakPolarHBondContact O-CB 3.4Å; L237-L241 VanDerWaalsContact O-CG 3.3Å; L237-L241 WeakPolarHBondContact O-CG 3.26Å; L237-L241 PolarHBondContact O-N 2.71Å; L241-I245 HydrophobicContact CD1-CD1 3.96Å; L241-I245 HydrophobicContact CD1-CG1 4.29Å
242R68.6Low65.2Low186 Ų18675.4 Ų75.470%0.70241%0.409SS*.  trans-86.4-19168.9-62.3-179.8-179.1177.52.7112.7K240K240-R242 PolarHBondContact O-N 2.89Å
243A65.6Low64.1Low6 Ų672.8 Ų72.85%0.0539%0.391CS..SBendtrans-69140.7178.600000110.9Q185 C188 V190 I245Q185-A243 WeakPolarHBondContact O-CB 3.32Å; C188-A243 VanDerWaalsContact SG-CB 3.56Å; V190-A243 HydrophobicContact CG2-CB 4.3Å; A243-I245 PolarHBondContact O-N 3.27Å
244P64.6Low62.5Low71 Ų7175.4 Ų75.446%0.46140%0.401SS..PPolyproline II helixtrans-65.8124.6177.527.7-33.6000110.1V190V190-P244 PolarHBondContact N-O 2.87Å
245I65.2Low61.2Low49 Ų4976.9 Ų76.925%0.25141%0.409SS..EExtended strand (participates in β ladder)trans-87118.3174.8-55.9175.6000108.2V190 V192 R238 L241 A243V190-I245 HydrophobicContact CB-CG1 4.46Å; V190-I245 CarbonylContact O-C 3.38Å; V190-I245 VanDerWaalsContact O-CA 3.3Å; V190-I245 WeakPolarHBondContact O-CA 3.42Å; V192-I245 HydrophobicContact CG2-CG2 3.9Å; R238-I245 HydrophobicContact CB-CD1 4.32Å; R238-I245 HydrophobicContact CG-CD1 4.09Å; L241-I245 HydrophobicContact CD1-CD1 3.96Å; L241-I245 HydrophobicContact CD1-CG1 4.29Å; A243-I245 PolarHBondContact O-N 3.27Å
246R60.3Low60.5Low147 Ų14776.7 Ų76.756%0.55541%0.408SS*.EExtended strand (participates in β ladder)trans-99.4137.5173.1-66.2-176.6175.3172.70.6109.1V190 T191 V192V190-R246 PolarHBondContact O-N 3.45Å; T191-R246 CarbonylContact C-O 3.52Å; T191-R246 WeakPolarHBondContact CA-O 3.11Å; V192-R246 PolarHBondContact N-O 3.49Å
247T56Low59.7Low87 Ų8775.9 Ų75.953%0.53440%0.402SS..EExtended strand (participates in β ladder)trans-92.8130.1169.548.20000108.5I253T247-I253 HydrophobicContact CG2-CD1 3.44Å; T247-I253 VanDerWaalsContact CG2-CD1 3.44Å; T247-I253 HydrophobicContact CG2-CG1 4.17Å
248S54.3Low59Low34 Ų3477.8 Ų77.824%0.23842%0.416CS..PPolyproline II helixtrans-63.6139.9170.4178.40000108.7V192 N250 V251V192-S248 WeakPolarHBondContact O-CB 3.25Å; V192-S248 PolarHBondContact O-N 3.04Å; S248-N250 PolarHBondContact O-N 3.4Å; S248-V251 PolarHBondContact O-N 2.99Å
249P42.6Very low58.6Low126 Ų12675.9 Ų75.982%0.81841%0.413SS*.THydrogen-bonded Turntrans-58.7-17.4-175.620-31.8000114.3
250N43.8Very low58.6Low151 Ų15176.4 Ų76.481%0.80740%0.398SS*.THydrogen-bonded Turntrans-101.57.1179.3-64-27.7000113.9S248S248-N250 PolarHBondContact O-N 3.4Å
251V43.1Very low58.8Low17 Ų1775.3 Ų75.310%0.10339%0.393CS..  trans-113.9101.3-178.1-175.70000109.1V192 T193 S248 I253V192-V251 HydrophobicContact CG1-CG1 3.95Å; T193-V251 WeakPolarHBondContact O-CG2 3.43Å; S248-V251 PolarHBondContact O-N 2.99Å; V251-I253 HydrophobicContact CG1-CG1 4.33Å; V251-I253 PolarHBondContact O-N 3.28Å; V251-I253 VanDerWaalsContact O-N 3.1Å
252V44.3Very low59.1Low99 Ų9975.1 Ų75.160%0.639%0.392SS*.  trans-7596.3165.6-176.30000106H254V252-H254 PolarHBondContact O-N 3.5Å
253I47.8Very low59.9Low30 Ų3071.3 Ų71.315%0.15438%0.382CS..  trans-63111.1160.3-58.5-179.5000104.2V192 L211 T247 V251 Q255V192-I253 HydrophobicContact CB-CD1 3.88Å; V192-I253 HydrophobicContact CB-CG1 4.3Å; V192-I253 HydrophobicContact CG1-CD1 3.92Å; V192-I253 HydrophobicContact CG1-CG1 3.95Å; V192-I253 HydrophobicContact CG2-CD1 3.67Å; L211-I253 HydrophobicContact CD2-CG2 4.42Å; T247-I253 HydrophobicContact CG2-CD1 3.44Å; T247-I253 VanDerWaalsContact CG2-CD1 3.44Å; T247-I253 HydrophobicContact CG2-CG1 4.17Å; V251-I253 HydrophobicContact CG1-CG1 4.33Å; V251-I253 PolarHBondContact O-N 3.28Å; V251-I253 VanDerWaalsContact O-N 3.1Å; I253-Q255 HydrophobicContact CG2-CG 4.41Å; I253-Q255 PolarHBondContact O-N 2.88Å
254H44.7Very low60.8Low110 Ų11073.5 Ų73.551%0.50940%0.395SS..  trans-72.473.9171.5-71.1-80.3000107.4E209 V252 T256E209-H254 PolarHBondContact OE1-N 3.19Å; V252-H254 PolarHBondContact O-N 3.5Å; H254-T256 PolarHBondContact O-N 3.34Å
255Q47.7Very low62.1Low59 Ų5970.1 Ų70.128%0.27637%0.373SS..  trans-49.5132.5150.7-72.8-176.5-8.400105.4I253 M257 E259I253-Q255 HydrophobicContact CG2-CG 4.41Å; I253-Q255 PolarHBondContact O-N 2.88Å; Q255-M257 PolarHBondContact O-N 2.73Å; Q255-E259 HydrophobicContact CB-CB 4.24Å
256T57.4Low63.3Low77 Ų7774.6 Ų74.647%0.47239%0.387SS..  trans-53.7140175.660.90000107.3H254 S258 E259 L260H254-T256 PolarHBondContact O-N 3.34Å; T256-S258 CarbonylContact O-C 3.53Å; T256-S258 PolarHBondContact O-N 3.4Å; T256-E259 PolarHBondContact N-OE2 2.9Å; T256-E259 WeakPolarHBondContact O-CB 3.32Å; T256-E259 PolarHBondContact O-N 3.1Å; T256-E259 WeakPolarHBondContact OG1-CG 3.5Å; T256-E259 PolarHBondContact OG1-N 3.03Å; T256-L260 PolarHBondContact O-N 3.42Å
257M60.3Low64.7Low88 Ų8870 Ų7043%0.43338%0.38SS..Hα-helixtrans-48.8-31.1179.7-80.2-58.2-34.200112.1Q255 L260 F261 P340 W343Q255-M257 PolarHBondContact O-N 2.73Å; M257-L260 HydrophobicContact CE-CD2 4.45Å; M257-F261 WeakPolarHBondContact O-CB 3.5Å; M257-F261 PolarHBondContact O-N 3.21Å; M257-P340 HydrophobicContact CE-CB 3.63Å; M257-P340 HydrophobicContact SD-CB 4.31Å; M257-W343 HydrophobicContact CB-CH2 4.02Å; M257-W343 HydrophobicContact CB-CZ3 4.42Å
258S64.4Low66.3Low42 Ų4269.5 Ų69.529%0.29437%0.372SS..Hα-helixtrans-59.4-43.2170.9-55.90000114.5T256 L262T256-S258 CarbonylContact O-C 3.53Å; T256-S258 PolarHBondContact O-N 3.4Å; S258-L262 WeakPolarHBondContact O-CB 3.28Å; S258-L262 WeakPolarHBondContact O-CD1 3.39Å; S258-L262 WeakPolarHBondContact O-CG 3.47Å; S258-L262 PolarHBondContact O-N 3.49Å
259E68.5Low68.1Low92 Ų9267.9 Ų67.943%0.4336%0.361SS..Hα-helixtrans-70.1-47179.1-77.7170.9170.100112.4Q255 T256 F261 L262 E263Q255-E259 HydrophobicContact CB-CB 4.24Å; T256-E259 PolarHBondContact N-OE2 2.9Å; T256-E259 WeakPolarHBondContact O-CB 3.32Å; T256-E259 PolarHBondContact O-N 3.1Å; T256-E259 WeakPolarHBondContact OG1-CG 3.5Å; T256-E259 PolarHBondContact OG1-N 3.03Å; E259-F261 PolarHBondContact O-N 2.99Å; E259-L262 PolarHBondContact O-N 3.45Å; E259-L262 VanDerWaalsContact O-N 3.07Å; E259-E263 PolarHBondContact O-N 2.92Å
260L73.5Confident70.4Confident81 Ų8166.6 Ų66.642%0.42434%0.344SS..Hα-helixtrans-60.7-39.8175.3-176.169.4000110.7T256 M257 T264T256-L260 PolarHBondContact O-N 3.42Å; M257-L260 HydrophobicContact CE-CD2 4.45Å; L260-T264 WeakPolarHBondContact O-CB 3.37Å; L260-T264 PolarHBondContact O-N 3.05Å; L260-T264 PolarHBondContact O-OG1 2.97Å
261F83.5Confident72.7Confident9 Ų965.9 Ų65.94%0.03934%0.339CS..Hα-helixtrans-62.3-44.6172.9174.8-94.3000111.7M257 E259 E263 T264 F265 F331 A332 W343 L344M257-F261 WeakPolarHBondContact O-CB 3.5Å; M257-F261 PolarHBondContact O-N 3.21Å; E259-F261 PolarHBondContact O-N 2.99Å; F261-E263 VanDerWaalsContact C-N 3.33Å; F261-E263 PolarHBondContact O-N 2.92Å; F261-T264 PolarHBondContact O-N 3.46Å; F261-F265 HydrophobicContact CD1-CB 4.3Å; F261-F265 HydrophobicContact CE1-CB 3.92Å; F261-F265 AromaticContact CE1-CD2 3.88Å; F261-F265 HydrophobicContact CE1-CD2 3.88Å; F261-F265 HydrophobicContact CE1-CG 4.08Å; F261-F265 HydrophobicContact CZ-CB 4.08Å; F261-F265 AromaticContact CZ-CD2 3.6Å; F261-F265 HydrophobicContact CZ-CD2 3.6Å; F261-F265 HydrophobicContact CZ-CE2 4.43Å; F261-F265 HydrophobicContact CZ-CG 4.18Å; F261-F265 WeakPolarHBondContact O-CA 3.49Å; F261-F265 WeakPolarHBondContact O-CB 3.37Å; F261-F265 PolarHBondContact O-N 3.19Å; F261-F331 HydrophobicContact CE1-CB 4.23Å; F261-F331 AromaticContact CE1-CD1 3.96Å; F261-F331 HydrophobicContact CE1-CD1 3.96Å; F261-F331 HydrophobicContact CE1-CG 4.41Å; F261-F331 HydrophobicContact CE2-CD1 4.16Å; F261-F331 HydrophobicContact CE2-CE1 4.3Å; F261-F331 HydrophobicContact CZ-CB 4.33Å; F261-F331 AromaticContact CZ-CD1 3.29Å; F261-F331 HydrophobicContact CZ-CD1 3.29Å; F261-F331 AromaticContact CZ-CE1 3.81Å; F261-F331 HydrophobicContact CZ-CE1 3.81Å; F261-F331 HydrophobicContact CZ-CG 4.01Å; F261-A332 HydrophobicContact CD1-CB 3.68Å; F261-A332 HydrophobicContact CE1-CB 3.94Å; F261-W343 HydrophobicContact CB-CE3 3.75Å; F261-W343 HydrophobicContact CB-CZ3 3.81Å; F261-W343 HydrophobicContact CD1-CE3 4.37Å; F261-W343 HydrophobicContact CD2-CB 4Å; F261-W343 HydrophobicContact CD2-CD2 4.46Å; F261-W343 AromaticContact CD2-CE3 3.6Å; F261-W343 HydrophobicContact CD2-CE3 3.6Å; F261-W343 HydrophobicContact CD2-CZ3 4.46Å; F261-W343 HydrophobicContact CE2-CB 3.94Å; F261-W343 HydrophobicContact CE2-CE3 4.31Å; F261-W343 AromaticContact CG-CE3 3.62Å; F261-W343 HydrophobicContact CG-CE3 3.62Å; F261-W343 HydrophobicContact CG-CZ3 4.05Å; F261-L344 HydrophobicContact CD2-CD2 4.34Å; F261-L344 HydrophobicContact CE2-CD2 3.91Å
262L85.9Confident74.9Confident16 Ų1666.3 Ų66.38%0.08434%0.341CS..Hα-helixtrans-63.2-38.6-179.8-74.6165.5000112.5S258 E259 R266 F325 R329S258-L262 WeakPolarHBondContact O-CB 3.28Å; S258-L262 WeakPolarHBondContact O-CD1 3.39Å; S258-L262 WeakPolarHBondContact O-CG 3.47Å; S258-L262 PolarHBondContact O-N 3.49Å; E259-L262 PolarHBondContact O-N 3.45Å; E259-L262 VanDerWaalsContact O-N 3.07Å; L262-R266 WeakPolarHBondContact O-CB 3.47Å; L262-R266 PolarHBondContact O-N 2.69Å; L262-F325 HydrophobicContact CB-CE2 4.38Å; L262-F325 HydrophobicContact CD1-CD2 4.28Å; L262-F325 HydrophobicContact CD1-CE2 3.66Å; L262-F325 HydrophobicContact CD1-CZ 4.03Å; L262-F325 HydrophobicContact CD2-CD2 4.35Å; L262-F325 HydrophobicContact CG-CE2 4.41Å; L262-R329 HydrophobicContact CD1-CG 3.76Å; L262-R329 HydrophobicContact CD2-CG 3.98Å; L262-R329 HydrophobicContact CG-CG 4.48Å
263E84.3Confident77.1Confident107 Ų10768.1 Ų68.150%0.534%0.343SS..Hα-helixtrans-65.6-47.5174.9-172.1165.7-163.900111.1E259 F261 F265 R266 A267E259-E263 PolarHBondContact O-N 2.92Å; F261-E263 VanDerWaalsContact C-N 3.33Å; F261-E263 PolarHBondContact O-N 2.92Å; E263-F265 PolarHBondContact O-N 3.43Å; E263-R266 PolarHBondContact O-N 3.29Å; E263-A267 PolarHBondContact O-N 3.32Å
264T85.8Confident79.2Confident51 Ų5174.5 Ų74.531%0.31337%0.365SS..Hα-helixtrans-64.4-42176.6-51.80000111.7L260 F261 R266 A267 Q268 L344L260-T264 WeakPolarHBondContact O-CB 3.37Å; L260-T264 PolarHBondContact O-N 3.05Å; L260-T264 PolarHBondContact O-OG1 2.97Å; F261-T264 PolarHBondContact O-N 3.46Å; T264-R266 VanDerWaalsContact C-N 3.34Å; T264-R266 PolarHBondContact O-N 2.96Å; T264-A267 PolarHBondContact O-N 3.21Å; T264-Q268 HydrophobicContact CG2-CG 4.49Å; T264-Q268 VanDerWaalsContact O-CG 3.31Å; T264-Q268 WeakPolarHBondContact O-CG 3.47Å; T264-Q268 PolarHBondContact O-N 2.92Å; T264-L344 HydrophobicContact CG2-CD1 3.9Å; T264-L344 HydrophobicContact CG2-CD2 4.17Å
265F90.3Very high81.3Confident1 Ų172.3 Ų72.30%0.00435%0.353CS..Hα-helixtrans-60-46.7178179-91.7000110.3F261 E263 Q268 V269 L324 F331 I359 V362F261-F265 HydrophobicContact CD1-CB 4.3Å; F261-F265 HydrophobicContact CE1-CB 3.92Å; F261-F265 AromaticContact CE1-CD2 3.88Å; F261-F265 HydrophobicContact CE1-CD2 3.88Å; F261-F265 HydrophobicContact CE1-CG 4.08Å; F261-F265 HydrophobicContact CZ-CB 4.08Å; F261-F265 AromaticContact CZ-CD2 3.6Å; F261-F265 HydrophobicContact CZ-CD2 3.6Å; F261-F265 HydrophobicContact CZ-CE2 4.43Å; F261-F265 HydrophobicContact CZ-CG 4.18Å; F261-F265 WeakPolarHBondContact O-CA 3.49Å; F261-F265 WeakPolarHBondContact O-CB 3.37Å; F261-F265 PolarHBondContact O-N 3.19Å; E263-F265 PolarHBondContact O-N 3.43Å; F265-Q268 PolarHBondContact O-N 3.1Å; F265-V269 HydrophobicContact CD1-CG2 4.16Å; F265-V269 HydrophobicContact CE1-CG2 3.89Å; F265-V269 HydrophobicContact CE2-CG2 4.38Å; F265-V269 HydrophobicContact CZ-CG2 4.01Å; F265-V269 WeakPolarHBondContact O-CB 3.3Å; F265-V269 VanDerWaalsContact O-CG2 3.25Å; F265-V269 WeakPolarHBondContact O-CG2 3.34Å; F265-V269 PolarHBondContact O-N 2.98Å; F265-L324 HydrophobicContact CD1-CD1 4.27Å; F265-L324 HydrophobicContact CE1-CD1 3.86Å; F265-F331 HydrophobicContact CE2-CB 4.2Å; F265-F331 AromaticContact CE2-CD2 3.88Å; F265-F331 HydrophobicContact CE2-CD2 3.88Å; F265-F331 HydrophobicContact CE2-CE2 4.45Å; F265-F331 HydrophobicContact CE2-CG 4.01Å; F265-I359 HydrophobicContact CB-CD1 4.49Å; F265-I359 HydrophobicContact CD2-CD1 3.6Å; F265-I359 HydrophobicContact CD2-CG1 3.85Å; F265-I359 HydrophobicContact CE2-CD1 4.17Å; F265-I359 HydrophobicContact CE2-CG1 3.89Å; F265-I359 HydrophobicContact CG-CD1 4.28Å; F265-V362 HydrophobicContact CZ-CG1 4.47Å; F265-V362 HydrophobicContact CZ-CG2 4.09Å
266R91.4Very high83.3Confident142 Ų14274 Ų7454%0.53637%0.367SS..Hα-helixtrans-58.7-50.4174.8169.4171.2-174.3175.92.5111.8L262 E263 T264 Q268 V269 E270 L324L262-R266 WeakPolarHBondContact O-CB 3.47Å; L262-R266 PolarHBondContact O-N 2.69Å; E263-R266 PolarHBondContact O-N 3.29Å; T264-R266 VanDerWaalsContact C-N 3.34Å; T264-R266 PolarHBondContact O-N 2.96Å; R266-Q268 VanDerWaalsContact C-N 3.27Å; R266-Q268 PolarHBondContact O-N 3.5Å; R266-V269 PolarHBondContact O-N 3.38Å; R266-E270 HydrophobicContact CG-CG 4.41Å; R266-E270 WeakPolarHBondContact CG-OE1 3.45Å; R266-E270 IonicContact CZ-OE1 3.71Å; R266-E270 IonicContact NE-OE1 3.75Å; R266-E270 PolarHBondContact NE-OE1 2.96Å; R266-E270 IonicContact NH2-OE1 2.79Å; R266-E270 PolarHBondContact NH2-OE1 3.48Å; R266-E270 WeakPolarHBondContact O-CG 3.27Å; R266-E270 PolarHBondContact O-N 3.33Å; R266-L324 HydrophobicContact CB-CD2 3.93Å; R266-L324 HydrophobicContact CG-CD2 3.68Å
267A89.6Confident84.7Confident50 Ų5072.2 Ų72.241%0.41335%0.354SS..Hα-helixtrans-59.2-39-179.100000112.1E263 T264E263-A267 PolarHBondContact O-N 3.32Å; T264-A267 PolarHBondContact O-N 3.21Å
268Q89.9Confident85.9Confident78 Ų7871 Ų7136%0.36435%0.353SS..Hα-helixtrans-69.4-43175.8-68-60.9-34.500112.4T264 F265 R266 E270 L271 I359T264-Q268 HydrophobicContact CG2-CG 4.49Å; T264-Q268 VanDerWaalsContact O-CG 3.31Å; T264-Q268 WeakPolarHBondContact O-CG 3.47Å; T264-Q268 PolarHBondContact O-N 2.92Å; F265-Q268 PolarHBondContact O-N 3.1Å; R266-Q268 VanDerWaalsContact C-N 3.27Å; R266-Q268 PolarHBondContact O-N 3.5Å; Q268-E270 VanDerWaalsContact C-N 3.3Å; Q268-E270 PolarHBondContact O-N 3.04Å; Q268-L271 WeakPolarHBondContact O-CB 3.44Å; Q268-L271 PolarHBondContact O-N 3.08Å; Q268-L271 VanDerWaalsContact O-N 3.14Å; Q268-I359 HydrophobicContact CB-CD1 3.57Å; Q268-I359 HydrophobicContact CB-CG1 4.22Å; Q268-I359 HydrophobicContact CG-CD1 4.09Å
269V91.8Very high86.5Confident0 Ų075.5 Ų75.50%038%0.384CS..Hα-helixtrans-67.6-30.4179.4172.20000112.4F265 R266 L271 N272 L324 I359 V362 M364F265-V269 HydrophobicContact CD1-CG2 4.16Å; F265-V269 HydrophobicContact CE1-CG2 3.89Å; F265-V269 HydrophobicContact CE2-CG2 4.38Å; F265-V269 HydrophobicContact CZ-CG2 4.01Å; F265-V269 WeakPolarHBondContact O-CB 3.3Å; F265-V269 VanDerWaalsContact O-CG2 3.25Å; F265-V269 WeakPolarHBondContact O-CG2 3.34Å; F265-V269 PolarHBondContact O-N 2.98Å; R266-V269 PolarHBondContact O-N 3.38Å; V269-L271 PolarHBondContact O-N 2.8Å; V269-N272 WeakPolarHBondContact O-CB 3.44Å; V269-N272 PolarHBondContact O-N 3.46Å; V269-N272 VanDerWaalsContact O-N 3.13Å; V269-L324 HydrophobicContact CB-CD1 3.96Å; V269-L324 HydrophobicContact CG1-CD1 3.61Å; V269-L324 HydrophobicContact CG2-CD1 4.27Å; V269-I359 HydrophobicContact CG2-CG1 4.08Å; V269-V362 HydrophobicContact CG1-CB 4.17Å; V269-V362 HydrophobicContact CG1-CG1 3.72Å; V269-V362 HydrophobicContact CG2-CB 3.81Å; V269-V362 HydrophobicContact CG2-CG1 3.9Å; V269-V362 HydrophobicContact CG2-CG2 4.47Å; V269-M364 HydrophobicContact CG1-CG 3.96Å; V269-M364 HydrophobicContact CG1-SD 4.17Å
270E91.3Very high86.8Confident98 Ų9875.1 Ų75.146%0.45841%0.405SS..Hα-helixtrans-65.4-22.5174-76.6177-176.900113.1R266 Q268R266-E270 HydrophobicContact CG-CG 4.41Å; R266-E270 WeakPolarHBondContact CG-OE1 3.45Å; R266-E270 IonicContact CZ-OE1 3.71Å; R266-E270 IonicContact NE-OE1 3.75Å; R266-E270 PolarHBondContact NE-OE1 2.96Å; R266-E270 IonicContact NH2-OE1 2.79Å; R266-E270 PolarHBondContact NH2-OE1 3.48Å; R266-E270 WeakPolarHBondContact O-CG 3.27Å; R266-E270 PolarHBondContact O-N 3.33Å; Q268-E270 VanDerWaalsContact C-N 3.3Å; Q268-E270 PolarHBondContact O-N 3.04Å
271L90.4Very high87Confident137 Ų13774.1 Ų74.172%0.71740%0.398SS*.THydrogen-bonded Turntrans-84-15.3174-60.8173.1000113.2Q268 V269Q268-L271 WeakPolarHBondContact O-CB 3.44Å; Q268-L271 PolarHBondContact O-N 3.08Å; Q268-L271 VanDerWaalsContact O-N 3.14Å; V269-L271 PolarHBondContact O-N 2.8Å
272N91.3Very high86.9Confident26 Ų2682.2 Ų82.214%0.13944%0.436CS..SBendtrans-74162.3179.2-67-17.9000111.6V269 R274 I359 V362V269-N272 WeakPolarHBondContact O-CB 3.44Å; V269-N272 PolarHBondContact O-N 3.46Å; V269-N272 VanDerWaalsContact O-N 3.13Å; N272-R274 PolarHBondContact O-N 3.49Å; N272-I359 PolarHBondContact ND2-O 2.89Å; N272-V362 WeakPolarHBondContact CB-O 3.38Å; N272-V362 PolarHBondContact ND2-O 2.86Å
273Q89.3Confident86.9Confident137 Ų13784.2 Ų84.264%0.6445%0.449SS*.PPolyproline II helixtrans-59.3138.1174.1-174.4176.3-13.700110.9L301 C363Q273-L301 HydrophobicContact CB-CD1 3.97Å; Q273-C363 VanDerWaalsContact O-CB 3.25Å; Q273-C363 WeakPolarHBondContact O-CB 3.4Å; Q273-C363 PolarHBondContact O-SG 3.18Å; Q273-C363 VanDerWaalsContact O-SG 3.35Å
274R91.1Very high87.2Confident164 Ų16484.5 Ų84.562%0.61945%0.45SS*.PPolyproline II helixtrans-80.5144.8174.5-63.9-174.2-178.7-179.50.1111N272 M364N272-R274 PolarHBondContact O-N 3.49Å; R274-M364 CarbonylContact C-O 3.57Å; R274-M364 WeakPolarHBondContact CA-O 3.32Å
275Y90.3Very high87.5Confident64 Ų6485.6 Ų85.625%0.25146%0.458SS..BIsolated β-bridgetrans-96.5123.9174.6-178.7-95.6000109.8K297 V299 M364 V365 H366Y275-K297 HydrophobicContact CD1-CB 4.03Å; Y275-K297 HydrophobicContact CD1-CG 4.05Å; Y275-K297 HydrophobicContact CD2-CG 4.03Å; Y275-K297 HydrophobicContact CE1-CG 4.25Å; Y275-K297 HydrophobicContact CE2-CG 4.23Å; Y275-K297 HydrophobicContact CG-CB 3.97Å; Y275-K297 HydrophobicContact CG-CG 3.93Å; Y275-V299 HydrophobicContact CD2-CG2 3.9Å; Y275-V299 HydrophobicContact CE2-CG2 4.38Å; Y275-M364 PolarHBondContact N-O 3.3Å; Y275-V365 HydrophobicContact CD1-CG2 4.39Å; Y275-H366 PolarHBondContact O-N 3.31Å
276T88.4Confident87.7Confident95 Ų9585.5 Ų85.558%0.58346%0.458SS*.PPolyproline II helixtrans-87.5126.7174.7-49.10000109.5H366T276-H366 PolarHBondContact OG1-CE1 3.49Å
277L86.8Confident87.8Confident38 Ų3882 Ų8220%0.19945%0.449CS..PPolyproline II helixtrans-66.1135.5175.5-78.6154.1000111.4Q281 V283 P320 V365L277-Q281 HydrophobicContact CD2-CB 4.48Å; L277-Q281 HydrophobicContact CD2-CG 4.33Å; L277-V283 HydrophobicContact CD1-CG2 3.39Å; L277-V283 HydrophobicContact CD2-CG2 4.34Å; L277-P320 HydrophobicContact CD2-CG 4.22Å; L277-V365 HydrophobicContact CD1-CG1 3.37Å; L277-V365 HydrophobicContact CD2-CG1 4.11Å; L277-V365 HydrophobicContact CG-CG1 3.54Å
278P85.3Confident87.7Confident64 Ų6481.6 Ų81.642%0.41645%0.45SS..PPolyproline II helixtrans-58.2141.2168.3-21.232.2000111.2G280 Q281P278-G280 PolarHBondContact O-N 3.25Å; P278-Q281 PolarHBondContact O-N 3.26Å; P278-Q281 VanDerWaalsContact O-N 3.14Å
279S77.5Confident87.7Confident135 Ų13580 Ų8094%0.94445%0.447SS*.THydrogen-bonded Turntrans-55.5123.7179.7-53.50000111.4
280G74.6Confident87.6Confident84 Ų8485.7 Ų85.787%0.86648%0.475SS*.THydrogen-bonded Turntrans94-0.2179.500000115.8P278P278-G280 PolarHBondContact O-N 3.25Å
281Q79.3Confident87.5Confident60 Ų6088.9 Ų88.928%0.2849%0.49SS..  trans-89.9112.1172.7-172176.4-17.700111L277 P278L277-Q281 HydrophobicContact CD2-CB 4.48Å; L277-Q281 HydrophobicContact CD2-CG 4.33Å; P278-Q281 PolarHBondContact O-N 3.26Å; P278-Q281 VanDerWaalsContact O-N 3.14Å
282E80.9Confident87.5Confident179 Ų17985.6 Ų85.684%0.83648%0.475SS*.  trans-77148.7173.1-65.8-175.4176.600111.8
283V85.4Confident87.5Confident58 Ų5888.2 Ų88.235%0.35249%0.494SS..  trans-91.2112.7178.6-177.30000109.4L277 P293 A294L277-V283 HydrophobicContact CD1-CG2 3.39Å; L277-V283 HydrophobicContact CD2-CG2 4.34Å; V283-P293 HydrophobicContact CG1-CB 3.79Å; V283-A294 HydrophobicContact CG1-CB 3.98Å; V283-A294 WeakPolarHBondContact CG1-O 3.4Å
284E90.1Very high87.7Confident113 Ų11381.7 Ų81.753%0.52846%0.464SS..PPolyproline II helixtrans-70.8156.9174.7-71.3174.7-170.100111.8A294E284-A294 WeakPolarHBondContact O-CB 3.36Å; E284-A294 PolarHBondContact O-N 3.4Å
285P92.5Very high87.8Confident74 Ų7475.6 Ų75.648%0.48145%0.446SS..BIsolated β-bridgetrans-59.3145.1170.825.6-34000110.9I287P285-I287 PolarHBondContact O-N 2.89Å
286C94.8Very high88Confident0 Ų072.8 Ų72.80%044%0.435CS..PPolyproline II helixtrans-58.8124.9179.2166.70000111G288 C289 M290 V292 M321 C323C286-G288 PolarHBondContact O-N 2.78Å; C286-G288 VanDerWaalsContact O-N 3.11Å; C286-G288 PolarHBondContact SG-N 3.5Å; C286-G288 VanDerWaalsContact SG-N 3.39Å; C286-C289 PolarHBondContact O-N 3.2Å; C286-M290 VanDerWaalsContact O-CA 3.27Å; C286-M290 WeakPolarHBondContact O-CA 3.49Å; C286-M290 PolarHBondContact O-N 3.1Å; C286-V292 HydrophobicContact CB-CG2 4.46Å; C286-V292 VanDerWaalsContact CB-O 3.26Å; C286-V292 WeakPolarHBondContact CB-O 3.34Å; C286-V292 PolarHBondContact N-O 2.99Å; C286-M321 CarbonylContact C-O 3.6Å; C286-M321 WeakPolarHBondContact CA-O 3.31Å; C286-C323 HydrophobicContact CB-CB 3.86Å; C286-C323 PolarHBondContact SG-N 3.21Å; C286-C323 VanDerWaalsContact SG-SG 3.64Å
287I93.1Very high88.3Confident67 Ų6769 Ų6934%0.34441%0.411SS..THydrogen-bonded Turntrans-65.5-20-177.268.8175.3000114.1P285 M290 M321 W322P285-I287 PolarHBondContact O-N 2.89Å; I287-M290 HydrophobicContact CB-CE 4.42Å; I287-M321 HydrophobicContact CD1-CB 4.21Å; I287-M321 HydrophobicContact CG1-CB 4.39Å; I287-M321 HydrophobicContact CG2-CB 4.2Å; I287-M321 PolarHBondContact N-O 2.98Å; I287-W322 HydrophobicContact CD1-CD2 4.34Å; I287-W322 VanDerWaalsContact CD1-CE2 3.47Å; I287-W322 HydrophobicContact CD1-CH2 4.2Å; I287-W322 HydrophobicContact CD1-CZ2 3.38Å; I287-W322 HydrophobicContact CG1-CD2 3.85Å; I287-W322 VanDerWaalsContact CG1-CE2 3.46Å; I287-W322 HydrophobicContact CG1-CE3 4.19Å; I287-W322 HydrophobicContact CG1-CG 4.48Å; I287-W322 HydrophobicContact CG1-CH2 3.88Å; I287-W322 HydrophobicContact CG1-CZ2 3.48Å; I287-W322 VanDerWaalsContact CG1-CZ2 3.48Å; I287-W322 HydrophobicContact CG1-CZ3 4.22Å
288G88.6Confident88.6Confident42 Ų4268 Ų6843%0.43341%0.405SS..THydrogen-bonded Turntrans-76-56.117700000114.2C286C286-G288 PolarHBondContact O-N 2.78Å; C286-G288 VanDerWaalsContact O-N 3.11Å; C286-G288 PolarHBondContact SG-N 3.5Å; C286-G288 VanDerWaalsContact SG-N 3.39Å
289C89.4Confident88.9Confident44 Ų4466.4 Ų66.430%0.29740%0.395SS..THydrogen-bonded Turntrans-101-21.9-176.563.90000114.3C286 Q291C286-C289 PolarHBondContact O-N 3.2Å; C289-Q291 HydrophobicContact CB-CB 4.47Å; C289-Q291 HydrophobicContact CB-CG 4.46Å; C289-Q291 WeakPolarHBondContact O-CG 3.41Å; C289-Q291 PolarHBondContact O-N 3.35Å
290M90Very high89.6Confident121 Ų12164.1 Ų64.160%0.59637%0.365SS*.SBendtrans56.313.6-172.6-58.1-66.3-171.300115.1C286 I287C286-M290 VanDerWaalsContact O-CA 3.27Å; C286-M290 WeakPolarHBondContact O-CA 3.49Å; C286-M290 PolarHBondContact O-N 3.1Å; I287-M290 HydrophobicContact CB-CE 4.42Å
291Q88.1Confident90.1Very high164 Ų16463.2 Ų63.277%0.76634%0.34SS*.SBendtrans-102.6-30.7-176.5-65.2-58.9-32.900113.9C289C289-Q291 HydrophobicContact CB-CB 4.47Å; C289-Q291 HydrophobicContact CB-CG 4.46Å; C289-Q291 WeakPolarHBondContact O-CG 3.41Å; C289-Q291 PolarHBondContact O-N 3.35Å
292V91.1Very high90.3Very high68 Ų6861.7 Ų61.741%0.41234%0.336SS..SBendtrans-130.1154.6-173.2-60.30000110.2C286 C323C286-V292 HydrophobicContact CB-CG2 4.46Å; C286-V292 VanDerWaalsContact CB-O 3.26Å; C286-V292 WeakPolarHBondContact CB-O 3.34Å; C286-V292 PolarHBondContact N-O 2.99Å; V292-C323 HydrophobicContact CG2-CB 3.48Å; V292-C323 VanDerWaalsContact CG2-CB 3.48Å
293P91.6Very high89.7Confident81 Ų8162.2 Ų62.253%0.52634%0.338SS..BIsolated β-bridgetrans-60.8151.6175.724.8-34.7000112.2V283 S295V283-P293 HydrophobicContact CG1-CB 3.79Å; P293-S295 PolarHBondContact O-N 2.88Å
294A93.3Very high88.3Confident1 Ų163.4 Ų63.41%0.00835%0.346CS..  trans-65.7103.4174.100000111.5V283 E284 P320 M321 W322V283-A294 HydrophobicContact CG1-CB 3.98Å; V283-A294 WeakPolarHBondContact CG1-O 3.4Å; E284-A294 WeakPolarHBondContact O-CB 3.36Å; E284-A294 PolarHBondContact O-N 3.4Å; A294-P320 HydrophobicContact CB-CB 4.34Å; A294-P320 WeakPolarHBondContact CB-O 3.43Å; A294-M321 VanDerWaalsContact CB-C 3.46Å; A294-W322 CarbonylContact C-O 3.51Å
295S93.6Very high86.3Confident35 Ų3563 Ų6325%0.24536%0.362CS..  trans-99.35.7-173.461.40000115.3P293 W322 C323 L324 V365P293-S295 PolarHBondContact O-N 2.88Å; S295-W322 PolarHBondContact N-O 3.3Å; S295-W322 VanDerWaalsContact N-O 3.15Å; S295-C323 WeakPolarHBondContact OG-CA 3.37Å; S295-L324 PolarHBondContact OG-N 2.87Å; S295-V365 PolarHBondContact O-N 2.9Å
296T93.8Very high84.1Confident5 Ų562.2 Ų62.23%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-132.5144.4-177.658.70000113.7P320 W322 L324 V362 C363 M364T296-P320 WeakPolarHBondContact O-CA 3.48Å; T296-W322 PolarHBondContact N-O 3.19Å; T296-W322 PolarHBondContact OG1-O 3.2Å; T296-L324 HydrophobicContact CG2-CB 3.83Å; T296-L324 HydrophobicContact CG2-CD1 3.79Å; T296-L324 HydrophobicContact CG2-CG 4.45Å; T296-V362 HydrophobicContact CG2-CG1 4.31Å; T296-C363 WeakPolarHBondContact CA-O 3.44Å; T296-M364 HydrophobicContact CG2-SD 4.01Å
297K94.4Very high81.7Confident17 Ų1770.3 Ų70.37%0.07441%0.409CS..EExtended strand (participates in β ladder)trans-128.2135.9173.4-179.969.7178.6960109.5Y275 V299 C316 C318 P320 C363 V365Y275-K297 HydrophobicContact CD1-CB 4.03Å; Y275-K297 HydrophobicContact CD1-CG 4.05Å; Y275-K297 HydrophobicContact CD2-CG 4.03Å; Y275-K297 HydrophobicContact CE1-CG 4.25Å; Y275-K297 HydrophobicContact CE2-CG 4.23Å; Y275-K297 HydrophobicContact CG-CB 3.97Å; Y275-K297 HydrophobicContact CG-CG 3.93Å; K297-V299 HydrophobicContact CG-CG2 3.79Å; K297-C316 PolarHBondContact NZ-O 3.08Å; K297-C318 WeakPolarHBondContact CD-O 3.44Å; K297-C318 WeakPolarHBondContact CE-O 3.35Å; K297-C318 PolarHBondContact NZ-O 3.3Å; K297-P320 HydrophobicContact CB-CG 4.3Å; K297-P320 HydrophobicContact CD-CG 4.03Å; K297-C363 PolarHBondContact N-O 3.09Å; K297-C363 WeakPolarHBondContact O-CB 3.35Å; K297-C363 PolarHBondContact O-N 3.19Å; K297-V365 HydrophobicContact CB-CG2 3.97Å
298L94.3Very high79.4Confident15 Ų1574 Ų748%0.07943%0.43CS..EExtended strand (participates in β ladder)trans-86.5123.1170.1-61.2178.4000109.8C316 L327 C350 F357 D361 V362L298-C316 HydrophobicContact CB-CB 3.74Å; L298-L327 HydrophobicContact CD2-CD2 4.01Å; L298-C350 HydrophobicContact CD1-CB 3.86Å; L298-F357 HydrophobicContact CD1-CB 4.47Å; L298-F357 HydrophobicContact CD1-CD1 3.58Å; L298-F357 HydrophobicContact CD1-CD2 4.3Å; L298-F357 HydrophobicContact CD1-CE1 3.77Å; L298-F357 HydrophobicContact CD1-CE2 4.47Å; L298-F357 HydrophobicContact CD1-CG 3.87Å; L298-F357 HydrophobicContact CD1-CZ 4.22Å; L298-F357 HydrophobicContact CD2-CB 4.44Å; L298-F357 HydrophobicContact CD2-CD1 4.27Å; L298-F357 HydrophobicContact CD2-CD2 3.44Å; L298-F357 VanDerWaalsContact CD2-CD2 3.44Å; L298-F357 HydrophobicContact CD2-CE1 4.4Å; L298-F357 HydrophobicContact CD2-CE2 3.61Å; L298-F357 HydrophobicContact CD2-CG 3.8Å; L298-F357 HydrophobicContact CD2-CZ 4.1Å; L298-F357 HydrophobicContact CG-CD2 4.49Å; L298-F357 HydrophobicContact CG-CG 4.42Å; L298-D361 CarbonylContact C-O 3.59Å; L298-D361 WeakPolarHBondContact CA-O 3.34Å; L298-V362 HydrophobicContact CD2-CB 4.39Å; L298-V362 HydrophobicContact CD2-CG2 3.78Å
299V91.6Very high77.4Confident31 Ų3178.9 Ų78.919%0.18845%0.445CS..  trans-137.7128.8176.7-175.90000107.5Y275 K297 L301 D361Y275-V299 HydrophobicContact CD2-CG2 3.9Å; Y275-V299 HydrophobicContact CE2-CG2 4.38Å; K297-V299 HydrophobicContact CG-CG2 3.79Å; V299-L301 HydrophobicContact CG1-CD2 4.23Å; V299-L301 HydrophobicContact CG1-CG 4.43Å; V299-L301 PolarHBondContact O-N 2.78Å; V299-L301 VanDerWaalsContact O-N 3.08Å; V299-D361 PolarHBondContact N-O 3.17Å; V299-D361 CarbonylContact O-C 3.47Å; V299-D361 WeakPolarHBondContact O-CA 3.48Å; V299-D361 VanDerWaalsContact O-CB 3.24Å; V299-D361 WeakPolarHBondContact O-CB 3.43Å
300R90.3Very high75.4Confident87 Ų8785.7 Ų85.733%0.32847%0.473SS..  trans-67.4112.1179.1-176-177.6173.3169.43.8109.5T304 E312 C313 Q315 D361R300-T304 PolarHBondContact NH2-OG1 3.3Å; R300-T304 VanDerWaalsContact NH2-OG1 3.12Å; R300-E312 IonicContact CZ-OE2 3.47Å; R300-E312 IonicContact NH1-OE2 4Å; R300-E312 IonicContact NH2-OE2 2.67Å; R300-E312 PolarHBondContact NH2-OE2 2.91Å; R300-C313 WeakPolarHBondContact CD-O 3.48Å; R300-C313 VanDerWaalsContact CZ-O 3.28Å; R300-C313 PolarHBondContact NE-O 3.21Å; R300-C313 PolarHBondContact NH1-O 3.27Å; R300-Q315 VanDerWaalsContact CB-OE1 3.23Å; R300-D361 WeakPolarHBondContact CA-OD1 3.41Å
301L85.9Confident73.8Confident65 Ų6582.2 Ų82.234%0.3446%0.46SS..  trans-122.5-17.9179.1-65.6179.4000112.5Q273 V299 Q303 D361 C363Q273-L301 HydrophobicContact CB-CD1 3.97Å; V299-L301 HydrophobicContact CG1-CD2 4.23Å; V299-L301 HydrophobicContact CG1-CG 4.43Å; V299-L301 PolarHBondContact O-N 2.78Å; V299-L301 VanDerWaalsContact O-N 3.08Å; L301-Q303 PolarHBondContact O-N 2.82Å; L301-D361 PolarHBondContact N-OD1 3.41Å; L301-C363 VanDerWaalsContact CD1-SG 3.54Å
302C83.8Confident73.3Confident28 Ų2877.8 Ų77.819%0.18944%0.44CS..  trans-64.1128.5174.7580000111.6C313 L360 D361C302-C313 VanDerWaalsContact SG-CB 3.52Å; C302-L360 HydrophobicContact CB-CB 4.39Å; C302-L360 HydrophobicContact CB-CD1 4.26Å; C302-D361 PolarHBondContact N-OD1 3.28Å; C302-D361 VanDerWaalsContact N-OD1 3.1Å; C302-D361 PolarHBondContact SG-OD1 2.88Å
303Q68.9Low73Confident190 Ų19074.8 Ų74.889%0.88842%0.422SS*.  trans-83.7126.5173.3-69.7-179.62.400109.7L301 A305L301-Q303 PolarHBondContact O-N 2.82Å; Q303-A305 PolarHBondContact O-N 3.28Å
304T56.3Low72.9Confident83 Ų8376.1 Ų76.151%0.50942%0.421SS..  trans-77.6101.5176.7-150000109.9R300 E312R300-T304 PolarHBondContact NH2-OG1 3.3Å; R300-T304 VanDerWaalsContact NH2-OG1 3.12Å; T304-E312 HydrophobicContact CG2-CG 3.99Å
305A46.9Very low72.8Confident106 Ų10680 Ų8088%0.87644%0.439SS*.  trans-107.589.7164.600000108.8Q303Q303-A305 PolarHBondContact O-N 3.28Å
306G45.7Very low72.7Confident57 Ų5778.6 Ų78.659%0.58843%0.429SS*.SBendtrans152.9140.5169.900000115.8D308G306-D308 VanDerWaalsContact C-N 3.33Å; G306-D308 PolarHBondContact O-N 3.11Å
307I46.3Very low72.6Confident170 Ų17087 Ų8787%0.87247%0.466SS*.SBendtrans-76.310.9-161.7-76.4159000116.2
308D44Very low72.5Confident145 Ų14587.2 Ų87.278%0.77547%0.469SS*.  trans-104.6100.4-176.1-67.9-24.9000112.4G306 E310G306-D308 VanDerWaalsContact C-N 3.33Å; G306-D308 PolarHBondContact O-N 3.11Å; D308-E310 PolarHBondContact O-N 3.47Å
309N46.4Very low72.4Confident143 Ų14394.7 Ų94.777%0.76550%0.496SS*.  trans-61.16.9179.6-92.5-29.3000115.9S311N309-S311 VanDerWaalsContact C-N 3.32Å; N309-S311 PolarHBondContact O-N 3.46Å
310E47.9Very low72.5Confident187 Ų18793.7 Ų93.787%0.87449%0.49SS*.SBendtrans-69.756.8173.653.2159.4117.400116.5D308D308-E310 PolarHBondContact O-N 3.47Å
311S55.1Low72.6Confident48 Ų4891.1 Ų91.134%0.33648%0.482SS..  trans78.382172.277.50000117.9N309 K347 K356N309-S311 VanDerWaalsContact C-N 3.32Å; N309-S311 PolarHBondContact O-N 3.46Å; S311-K347 PolarHBondContact O-NZ 3.26Å; S311-K356 PolarHBondContact OG-NZ 3.28Å
312E77.3Confident73Confident72 Ų7290.1 Ų90.134%0.33647%0.474SS..  trans-63.6157.7164.1-59.5-172.3174.600112.6R300 T304R300-E312 IonicContact CZ-OE2 3.47Å; R300-E312 IonicContact NH1-OE2 4Å; R300-E312 IonicContact NH2-OE2 2.67Å; R300-E312 PolarHBondContact NH2-OE2 2.91Å; T304-E312 HydrophobicContact CG2-CG 3.99Å
313C85.9Confident73.6Confident4 Ų489.1 Ų89.13%0.02747%0.467CS..  trans-61.5139.4166.6-65.40000110R300 C302 K356 C358 D361R300-C313 WeakPolarHBondContact CD-O 3.48Å; R300-C313 VanDerWaalsContact CZ-O 3.28Å; R300-C313 PolarHBondContact NE-O 3.21Å; R300-C313 PolarHBondContact NH1-O 3.27Å; C302-C313 VanDerWaalsContact SG-CB 3.52Å; C313-K356 CarbonylContact C-O 3.54Å; C313-K356 WeakPolarHBondContact CA-O 3.48Å; C313-C358 PolarHBondContact SG-N 2.87Å; C313-D361 WeakPolarHBondContact CB-OD2 3.08Å; C313-D361 PolarHBondContact SG-OD2 2.86Å
314Q90.1Very high74.7Confident110 Ų11080.9 Ų80.951%0.51443%0.429SS..  trans-106.5149.2-175.4-66.9175.6-33.300110.4C316 A355 K356Q314-C316 PolarHBondContact O-N 3.14Å; Q314-A355 HydrophobicContact CB-CB 4.08Å; Q314-K356 PolarHBondContact N-O 3.33Å
315Q89.8Confident76.4Confident83 Ų8381.9 Ų81.939%0.38843%0.427SS..  trans-67.4126.6175.4-175.961.421.900110.4R300 F317R300-Q315 VanDerWaalsContact CB-OE1 3.23Å; Q315-F317 HydrophobicContact CB-CE2 4.2Å; Q315-F317 HydrophobicContact CB-CZ 4.2Å; Q315-F317 HydrophobicContact CG-CE1 3.95Å; Q315-F317 HydrophobicContact CG-CE2 3.97Å; Q315-F317 HydrophobicContact CG-CZ 3.62Å
316C92.3Very high78.6Confident5 Ų577.6 Ų77.63%0.03439%0.39CS..  trans-99.1119.8178.3-178.80000111.6K297 L298 Q314 A355K297-C316 PolarHBondContact NZ-O 3.08Å; L298-C316 HydrophobicContact CB-CB 3.74Å; Q314-C316 PolarHBondContact O-N 3.14Å; C316-A355 HydrophobicContact CB-CB 4.23Å
317F91.9Very high80.9Confident182 Ų18275 Ų7580%0.79836%0.363SS*.  trans-95.23.6179-61.5-78.5000114.2Q315Q315-F317 HydrophobicContact CB-CE2 4.2Å; Q315-F317 HydrophobicContact CB-CZ 4.2Å; Q315-F317 HydrophobicContact CG-CE1 3.95Å; Q315-F317 HydrophobicContact CG-CE2 3.97Å; Q315-F317 HydrophobicContact CG-CZ 3.62Å
318C91.8Very high83.1Confident21 Ų2166.9 Ų66.914%0.14232%0.321CS..  trans-64143.9175.1-69.10000111.7K297 M321 C353K297-C318 WeakPolarHBondContact CD-O 3.44Å; K297-C318 WeakPolarHBondContact CE-O 3.35Å; K297-C318 PolarHBondContact NZ-O 3.3Å; C318-M321 HydrophobicContact CB-CE 3.62Å; C318-C353 WeakPolarHBondContact SG-CB 2.86Å
319R92.1Very high85.2Confident172 Ų17266.9 Ų66.965%0.64931%0.31SS*.  trans-64.2162.4167.7-64.5-179-177.3178.1-0.6110.6M321R319-M321 WeakPolarHBondContact O-CG 3.37Å; R319-M321 PolarHBondContact O-N 2.91Å; R319-M321 VanDerWaalsContact O-N 3.11Å
320P92.9Very high87.4Confident9 Ų963.2 Ų63.26%0.05829%0.285CS..SBendtrans-58.3114.3167-19.231.7000109.8L277 A294 T296 K297 V365L277-P320 HydrophobicContact CD2-CG 4.22Å; A294-P320 HydrophobicContact CB-CB 4.34Å; A294-P320 WeakPolarHBondContact CB-O 3.43Å; T296-P320 WeakPolarHBondContact O-CA 3.48Å; K297-P320 HydrophobicContact CB-CG 4.3Å; K297-P320 HydrophobicContact CD-CG 4.03Å; P320-V365 HydrophobicContact CB-CG2 4Å; P320-V365 HydrophobicContact CG-CG2 4.02Å
321M93.1Very high89.6Confident34 Ų3454.3 Ų54.317%0.16724%0.244CC..  trans-129.8-7.2-178.3-67.6175.1-56.600112.7C286 I287 A294 C318 R319 T352C286-M321 CarbonylContact C-O 3.6Å; C286-M321 WeakPolarHBondContact CA-O 3.31Å; I287-M321 HydrophobicContact CD1-CB 4.21Å; I287-M321 HydrophobicContact CG1-CB 4.39Å; I287-M321 HydrophobicContact CG2-CB 4.2Å; I287-M321 PolarHBondContact N-O 2.98Å; A294-M321 VanDerWaalsContact CB-C 3.46Å; C318-M321 HydrophobicContact CB-CE 3.62Å; R319-M321 WeakPolarHBondContact O-CG 3.37Å; R319-M321 PolarHBondContact O-N 2.91Å; R319-M321 VanDerWaalsContact O-N 3.11Å; M321-T352 HydrophobicContact CE-CG2 3.59Å; M321-T352 VanDerWaalsContact CE-OG1 3.23Å; M321-T352 WeakPolarHBondContact CE-OG1 3.3Å; M321-T352 HydrophobicContact SD-CG2 4.35Å
322W95.1Very high91.2Very high43 Ų4352.2 Ų52.216%0.16323%0.229CC..BIsolated β-bridgetrans-125.7141.6-172.9-63.687.7000110.5I287 A294 S295 T296 C326 L327 P351 T352I287-W322 HydrophobicContact CD1-CD2 4.34Å; I287-W322 VanDerWaalsContact CD1-CE2 3.47Å; I287-W322 HydrophobicContact CD1-CH2 4.2Å; I287-W322 HydrophobicContact CD1-CZ2 3.38Å; I287-W322 HydrophobicContact CG1-CD2 3.85Å; I287-W322 VanDerWaalsContact CG1-CE2 3.46Å; I287-W322 HydrophobicContact CG1-CE3 4.19Å; I287-W322 HydrophobicContact CG1-CG 4.48Å; I287-W322 HydrophobicContact CG1-CH2 3.88Å; I287-W322 HydrophobicContact CG1-CZ2 3.48Å; I287-W322 VanDerWaalsContact CG1-CZ2 3.48Å; I287-W322 HydrophobicContact CG1-CZ3 4.22Å; A294-W322 CarbonylContact C-O 3.51Å; S295-W322 PolarHBondContact N-O 3.3Å; S295-W322 VanDerWaalsContact N-O 3.15Å; T296-W322 PolarHBondContact N-O 3.19Å; T296-W322 PolarHBondContact OG1-O 3.2Å; W322-C326 HydrophobicContact CE3-CB 3.73Å; W322-C326 HydrophobicContact CZ3-CB 4.15Å; W322-L327 HydrophobicContact CB-CB 4.2Å; W322-P351 HydrophobicContact CD2-CG 4.33Å; W322-P351 HydrophobicContact CH2-CB 4Å; W322-P351 HydrophobicContact CH2-CG 4.42Å; W322-P351 HydrophobicContact CZ2-CB 3.26Å; W322-P351 HydrophobicContact CZ2-CG 3.81Å; W322-T352 PolarHBondContact NE1-OG1 3.07Å
323C94.9Very high91.6Very high7 Ų751.9 Ų51.95%0.04724%0.235CC..  trans-80158.4164.176.50000110.2C286 V292 S295 F325 C326 L327C286-C323 HydrophobicContact CB-CB 3.86Å; C286-C323 PolarHBondContact SG-N 3.21Å; C286-C323 VanDerWaalsContact SG-SG 3.64Å; V292-C323 HydrophobicContact CG2-CB 3.48Å; V292-C323 VanDerWaalsContact CG2-CB 3.48Å; S295-C323 WeakPolarHBondContact OG-CA 3.37Å; C323-F325 PolarHBondContact O-N 3.14Å; C323-C326 PolarHBondContact O-N 3.07Å; C323-C326 PolarHBondContact SG-N 3.16Å; C323-L327 PolarHBondContact O-N 3.34Å
324L93.6Very high91.8Very high17 Ų1758.3 Ų58.39%0.08926%0.259CS..Hα-helixtrans-52.2-41.9-177.7-176.366.1000113F265 R266 V269 S295 T296 G328 M364F265-L324 HydrophobicContact CD1-CD1 4.27Å; F265-L324 HydrophobicContact CE1-CD1 3.86Å; R266-L324 HydrophobicContact CB-CD2 3.93Å; R266-L324 HydrophobicContact CG-CD2 3.68Å; V269-L324 HydrophobicContact CB-CD1 3.96Å; V269-L324 HydrophobicContact CG1-CD1 3.61Å; V269-L324 HydrophobicContact CG2-CD1 4.27Å; S295-L324 PolarHBondContact OG-N 2.87Å; T296-L324 HydrophobicContact CG2-CB 3.83Å; T296-L324 HydrophobicContact CG2-CD1 3.79Å; T296-L324 HydrophobicContact CG2-CG 4.45Å; L324-G328 PolarHBondContact O-N 3.07Å; L324-M364 HydrophobicContact CB-SD 4.25Å; L324-M364 HydrophobicContact CD1-SD 3.96Å; L324-M364 HydrophobicContact CD2-CE 4.34Å; L324-M364 HydrophobicContact CD2-SD 3.94Å; L324-M364 HydrophobicContact CG-SD 4.29Å
325F91.4Very high91.6Very high105 Ų10554.1 Ų54.146%0.46124%0.239SC..Hα-helixtrans-71.4-43.1-175.7-166.8-112.6000112.8L262 C323 G328 R329L262-F325 HydrophobicContact CB-CE2 4.38Å; L262-F325 HydrophobicContact CD1-CD2 4.28Å; L262-F325 HydrophobicContact CD1-CE2 3.66Å; L262-F325 HydrophobicContact CD1-CZ 4.03Å; L262-F325 HydrophobicContact CD2-CD2 4.35Å; L262-F325 HydrophobicContact CG-CE2 4.41Å; C323-F325 PolarHBondContact O-N 3.14Å; F325-G328 PolarHBondContact O-N 3.04Å; F325-R329 WeakPolarHBondContact O-CB 3.43Å; F325-R329 WeakPolarHBondContact O-CG 3.24Å; F325-R329 PolarHBondContact O-N 2.73Å
326C92.4Very high91.2Very high16 Ų1653.7 Ų53.711%0.10824%0.24CC..Hα-helixtrans-67-39.3176.5-71.40000111.8W322 C323 R329 W330W322-C326 HydrophobicContact CE3-CB 3.73Å; W322-C326 HydrophobicContact CZ3-CB 4.15Å; C323-C326 PolarHBondContact O-N 3.07Å; C323-C326 PolarHBondContact SG-N 3.16Å; C326-R329 PolarHBondContact O-N 2.98Å; C326-W330 PolarHBondContact O-N 2.94Å
327L94.2Very high90.4Very high2 Ų258.9 Ų58.91%0.0126%0.264CS..Hα-helixtrans-66-42.4175.5-173.764.5000111.7L298 W322 C323 R329 W330 F331 P351 F357 V362L298-L327 HydrophobicContact CD2-CD2 4.01Å; W322-L327 HydrophobicContact CB-CB 4.2Å; C323-L327 PolarHBondContact O-N 3.34Å; L327-R329 VanDerWaalsContact C-N 3.35Å; L327-R329 PolarHBondContact O-N 3.4Å; L327-W330 WeakPolarHBondContact O-CB 3.38Å; L327-W330 PolarHBondContact O-N 3.32Å; L327-F331 PolarHBondContact O-N 3.46Å; L327-P351 HydrophobicContact CD1-CG 4.18Å; L327-F357 HydrophobicContact CD1-CZ 3.89Å; L327-F357 HydrophobicContact CG-CZ 4.43Å; L327-V362 HydrophobicContact CD2-CG1 3.73Å; L327-V362 HydrophobicContact CD2-CG2 4.33Å
328G92.2Very high89.5Confident0 Ų058.4 Ų58.40%026%0.264CS..Hα-helixtrans-62.1-40.1174.700000112.6L324 F325 F331 A332L324-G328 PolarHBondContact O-N 3.07Å; F325-G328 PolarHBondContact O-N 3.04Å; G328-F331 WeakPolarHBondContact O-CB 3.35Å; G328-F331 PolarHBondContact O-N 2.8Å; G328-A332 PolarHBondContact O-N 2.79Å
329R89.8Confident88.9Confident145 Ų14564.6 Ų64.655%0.54728%0.284SS..Hα-helixtrans-64.7-41.9176.2-80.7-178.6170.7-176.1-4.1111.5L262 F325 C326 L327 F331 A332 S333L262-R329 HydrophobicContact CD1-CG 3.76Å; L262-R329 HydrophobicContact CD2-CG 3.98Å; L262-R329 HydrophobicContact CG-CG 4.48Å; F325-R329 WeakPolarHBondContact O-CB 3.43Å; F325-R329 WeakPolarHBondContact O-CG 3.24Å; F325-R329 PolarHBondContact O-N 2.73Å; C326-R329 PolarHBondContact O-N 2.98Å; L327-R329 VanDerWaalsContact C-N 3.35Å; L327-R329 PolarHBondContact O-N 3.4Å; R329-F331 VanDerWaalsContact C-N 3.33Å; R329-A332 PolarHBondContact O-N 2.91Å; R329-S333 WeakPolarHBondContact O-CB 3.49Å; R329-S333 PolarHBondContact O-N 3.45Å
330W92.4Very high88Confident65 Ų6558.7 Ų58.725%0.24627%0.268CS..Hα-helixtrans-59.7-46.4172.7175.2-98.6000111.2C326 L327 A332 S333 R334 P349 P351C326-W330 PolarHBondContact O-N 2.94Å; L327-W330 WeakPolarHBondContact O-CB 3.38Å; L327-W330 PolarHBondContact O-N 3.32Å; W330-A332 PolarHBondContact O-N 3.47Å; W330-S333 PolarHBondContact O-N 3.26Å; W330-S333 PolarHBondContact O-OG 3.44Å; W330-R334 HydrophobicContact CZ2-CG 4.43Å; W330-R334 VanDerWaalsContact CZ3-NH2 3.34Å; W330-R334 WeakPolarHBondContact O-CG 3.43Å; W330-R334 PolarHBondContact O-N 3.42Å; W330-P349 PolarHBondContact NE1-O 2.94Å; W330-P351 HydrophobicContact CB-CG 4.32Å; W330-P351 HydrophobicContact CD2-CB 4.23Å; W330-P351 HydrophobicContact CD2-CG 3.96Å; W330-P351 HydrophobicContact CG-CB 4.45Å; W330-P351 HydrophobicContact CG-CG 3.68Å; W330-P351 HydrophobicContact CZ2-CB 4.45Å
331F93.1Very high87.3Confident0 Ų065.1 Ų65.10%030%0.297CS..Hα-helixtrans-57.2-49.6178.3-164.5-68.3000111.2F261 F265 L327 G328 R329 S333 R334 Q335 W343 S346 V348 F357F261-F331 HydrophobicContact CE1-CB 4.23Å; F261-F331 AromaticContact CE1-CD1 3.96Å; F261-F331 HydrophobicContact CE1-CD1 3.96Å; F261-F331 HydrophobicContact CE1-CG 4.41Å; F261-F331 HydrophobicContact CE2-CD1 4.16Å; F261-F331 HydrophobicContact CE2-CE1 4.3Å; F261-F331 HydrophobicContact CZ-CB 4.33Å; F261-F331 AromaticContact CZ-CD1 3.29Å; F261-F331 HydrophobicContact CZ-CD1 3.29Å; F261-F331 AromaticContact CZ-CE1 3.81Å; F261-F331 HydrophobicContact CZ-CE1 3.81Å; F261-F331 HydrophobicContact CZ-CG 4.01Å; F265-F331 HydrophobicContact CE2-CB 4.2Å; F265-F331 AromaticContact CE2-CD2 3.88Å; F265-F331 HydrophobicContact CE2-CD2 3.88Å; F265-F331 HydrophobicContact CE2-CE2 4.45Å; F265-F331 HydrophobicContact CE2-CG 4.01Å; L327-F331 PolarHBondContact O-N 3.46Å; G328-F331 WeakPolarHBondContact O-CB 3.35Å; G328-F331 PolarHBondContact O-N 2.8Å; R329-F331 VanDerWaalsContact C-N 3.33Å; F331-S333 VanDerWaalsContact C-N 3.33Å; F331-S333 PolarHBondContact O-N 2.91Å; F331-R334 PolarHBondContact O-N 3.3Å; F331-Q335 HydrophobicContact CD1-CG 4.42Å; F331-Q335 VanDerWaalsContact CD1-NE2 3.26Å; F331-Q335 WeakPolarHBondContact O-CG 3.43Å; F331-Q335 PolarHBondContact O-NE2 3.29Å; F331-W343 VanDerWaalsContact CE1-O 3.31Å; F331-W343 WeakPolarHBondContact CE1-O 3.4Å; F331-S346 WeakPolarHBondContact CE1-OG 3.31Å; F331-V348 HydrophobicContact CB-CG2 4.37Å; F331-V348 HydrophobicContact CD1-CG1 4.14Å; F331-V348 HydrophobicContact CD2-CB 4.39Å; F331-V348 HydrophobicContact CD2-CG1 4.16Å; F331-V348 HydrophobicContact CD2-CG2 3.33Å; F331-V348 HydrophobicContact CE1-CG1 4.14Å; F331-V348 HydrophobicContact CE2-CG1 4.15Å; F331-V348 HydrophobicContact CE2-CG2 3.67Å; F331-V348 HydrophobicContact CG-CG1 4.15Å; F331-V348 HydrophobicContact CG-CG2 3.9Å; F331-V348 HydrophobicContact CZ-CG1 4.15Å; F331-V348 HydrophobicContact CZ-CG2 4.47Å; F331-F357 AromaticContact CD2-CE2 3.79Å; F331-F357 HydrophobicContact CD2-CE2 3.79Å; F331-F357 HydrophobicContact CD2-CZ 4.03Å; F331-F357 HydrophobicContact CE2-CE2 4.13Å
332A88.5Confident86.8Confident4 Ų466.3 Ų66.33%0.03331%0.307CS..Hα-helixtrans-59.8-40.4177.300000112.5F261 G328 R329 W330 R334 Q335 W343F261-A332 HydrophobicContact CD1-CB 3.68Å; F261-A332 HydrophobicContact CE1-CB 3.94Å; G328-A332 PolarHBondContact O-N 2.79Å; R329-A332 PolarHBondContact O-N 2.91Å; W330-A332 PolarHBondContact O-N 3.47Å; A332-R334 PolarHBondContact O-N 2.97Å; A332-R334 VanDerWaalsContact O-N 3.13Å; A332-Q335 WeakPolarHBondContact O-CB 3.27Å; A332-Q335 WeakPolarHBondContact O-CG 3.13Å; A332-Q335 PolarHBondContact O-N 3.27Å; A332-Q335 VanDerWaalsContact O-N 3.13Å; A332-W343 HydrophobicContact CB-CZ3 4.21Å
333S86.8Confident86.4Confident66 Ų6664.5 Ų64.546%0.46230%0.3SS..Hα-helixtrans-64.3-18.9-17977.50000114.1R329 W330 F331R329-S333 WeakPolarHBondContact O-CB 3.49Å; R329-S333 PolarHBondContact O-N 3.45Å; W330-S333 PolarHBondContact O-N 3.26Å; W330-S333 PolarHBondContact O-OG 3.44Å; F331-S333 VanDerWaalsContact C-N 3.33Å; F331-S333 PolarHBondContact O-N 2.91Å
334R88.5Confident85.9Confident139 Ų13967.6 Ų67.653%0.52532%0.316SS..THydrogen-bonded Turntrans-98.35.7-179.2-61.9-66160.1-165.1-7.4113.2W330 F331 A332 V348W330-R334 HydrophobicContact CZ2-CG 4.43Å; W330-R334 VanDerWaalsContact CZ3-NH2 3.34Å; W330-R334 WeakPolarHBondContact O-CG 3.43Å; W330-R334 PolarHBondContact O-N 3.42Å; F331-R334 PolarHBondContact O-N 3.3Å; A332-R334 PolarHBondContact O-N 2.97Å; A332-R334 VanDerWaalsContact O-N 3.13Å; R334-V348 HydrophobicContact CB-CB 4.18Å; R334-V348 HydrophobicContact CB-CG1 3.76Å
335Q86.5Confident85.4Confident21 Ų2171.3 Ų71.310%0.09834%0.343CS..SBendtrans-91156.9179.2-54.4-52.5-46.100112.8F331 A332 Q337 W343 S346F331-Q335 HydrophobicContact CD1-CG 4.42Å; F331-Q335 VanDerWaalsContact CD1-NE2 3.26Å; F331-Q335 WeakPolarHBondContact O-CG 3.43Å; F331-Q335 PolarHBondContact O-NE2 3.29Å; A332-Q335 WeakPolarHBondContact O-CB 3.27Å; A332-Q335 WeakPolarHBondContact O-CG 3.13Å; A332-Q335 PolarHBondContact O-N 3.27Å; A332-Q335 VanDerWaalsContact O-N 3.13Å; Q335-Q337 PolarHBondContact O-N 3.27Å; Q335-W343 HydrophobicContact CB-CD2 3.65Å; Q335-W343 VanDerWaalsContact CB-CE2 3.43Å; Q335-W343 HydrophobicContact CB-CE3 4.39Å; Q335-W343 HydrophobicContact CB-CG 3.73Å; Q335-W343 HydrophobicContact CB-CZ2 4.06Å; Q335-W343 VanDerWaalsContact CB-NE1 3.32Å; Q335-W343 HydrophobicContact CG-CB 4.09Å; Q335-W343 HydrophobicContact CG-CD2 3.69Å; Q335-W343 HydrophobicContact CG-CE3 4.16Å; Q335-W343 HydrophobicContact CG-CG 3.64Å; Q335-S346 PolarHBondContact NE2-OG 3.27Å; Q335-S346 PolarHBondContact OE1-OG 3.49Å
336D81.5Confident85.2Confident75 Ų7567.5 Ų67.540%0.40133%0.33SS..  trans-72.3111.3167-177.3-1.2000109.9Q338 R339 W343D336-Q338 PolarHBondContact O-N 2.93Å; D336-Q338 WeakPolarHBondContact OD1-CB 3.49Å; D336-Q338 PolarHBondContact OD1-N 2.81Å; D336-R339 PolarHBondContact O-N 2.91Å; D336-R339 VanDerWaalsContact O-N 3.14Å; D336-W343 PolarHBondContact O-NE1 3.36Å
337Q75.6Confident85.1Confident114 Ų11471.7 Ų71.753%0.53335%0.346SS..THydrogen-bonded Turntrans-64-18.6180-63.6-68.9-8.500113.1Q335Q335-Q337 PolarHBondContact O-N 3.27Å
338Q72.3Confident85Confident172 Ų17271.7 Ų71.780%0.80435%0.346SS*.THydrogen-bonded Turntrans-84.7-12178.1-58.9-173.7-8.900113.2D336D336-Q338 PolarHBondContact O-N 2.93Å; D336-Q338 WeakPolarHBondContact OD1-CB 3.49Å; D336-Q338 PolarHBondContact OD1-N 2.81Å
339R79Confident85.1Confident151 Ų15173.9 Ų73.957%0.5736%0.36SS*.  trans-133.867.1-175.8-63.9-177.4178.6-174.71.2112.3D336 Q341 T342 W343D336-R339 PolarHBondContact O-N 2.91Å; D336-R339 VanDerWaalsContact O-N 3.14Å; R339-Q341 VanDerWaalsContact C-OE1 3.25Å; R339-Q341 PolarHBondContact O-N 3.46Å; R339-T342 PolarHBondContact O-N 3.34Å; R339-T342 PolarHBondContact O-OG1 3Å; R339-W343 PolarHBondContact O-NE1 3.28Å
340P74.5Confident85.4Confident48 Ų4867.1 Ų67.131%0.31234%0.335SS..G310 helixtrans-57.8-31.4-17923.5-34000114.6M257 T342 W343M257-P340 HydrophobicContact CE-CB 3.63Å; M257-P340 HydrophobicContact SD-CB 4.31Å; P340-T342 PolarHBondContact O-N 2.64Å; P340-T342 VanDerWaalsContact O-N 3.15Å; P340-W343 VanDerWaalsContact CA-CD1 3.46Å; P340-W343 WeakPolarHBondContact O-CB 3.44Å; P340-W343 PolarHBondContact O-N 3.47Å; P340-W343 VanDerWaalsContact O-N 3.14Å
341Q78.2Confident85.4Confident143 Ų14365.5 Ų65.567%0.66833%0.333SS*.G310 helixtrans-61.7-21.4-179.865.7-82.320.500114R339R339-Q341 VanDerWaalsContact C-OE1 3.25Å; R339-Q341 PolarHBondContact O-N 3.46Å
342T82.6Confident85.4Confident60 Ų6068.7 Ų68.737%0.36835%0.352SS..G310 helixtrans-95.4-2.7179.758.70000113.7R339 P340 L344 S345 S346R339-T342 PolarHBondContact O-N 3.34Å; R339-T342 PolarHBondContact O-OG1 3Å; P340-T342 PolarHBondContact O-N 2.64Å; P340-T342 VanDerWaalsContact O-N 3.15Å; T342-L344 PolarHBondContact O-N 2.87Å; T342-S345 PolarHBondContact O-N 3.48Å; T342-S345 PolarHBondContact O-OG 3.01Å; T342-S346 PolarHBondContact O-N 3Å
343W85.8Confident85.6Confident4 Ų471.3 Ų71.32%0.01537%0.37CS..THydrogen-bonded Turntrans-62.5-44.2-171.5-7318.9000112.5M257 F261 F331 A332 Q335 D336 R339 P340 S345 S346M257-W343 HydrophobicContact CB-CH2 4.02Å; M257-W343 HydrophobicContact CB-CZ3 4.42Å; F261-W343 HydrophobicContact CB-CE3 3.75Å; F261-W343 HydrophobicContact CB-CZ3 3.81Å; F261-W343 HydrophobicContact CD1-CE3 4.37Å; F261-W343 HydrophobicContact CD2-CB 4Å; F261-W343 HydrophobicContact CD2-CD2 4.46Å; F261-W343 AromaticContact CD2-CE3 3.6Å; F261-W343 HydrophobicContact CD2-CE3 3.6Å; F261-W343 HydrophobicContact CD2-CZ3 4.46Å; F261-W343 HydrophobicContact CE2-CB 3.94Å; F261-W343 HydrophobicContact CE2-CE3 4.31Å; F261-W343 AromaticContact CG-CE3 3.62Å; F261-W343 HydrophobicContact CG-CE3 3.62Å; F261-W343 HydrophobicContact CG-CZ3 4.05Å; F331-W343 VanDerWaalsContact CE1-O 3.31Å; F331-W343 WeakPolarHBondContact CE1-O 3.4Å; A332-W343 HydrophobicContact CB-CZ3 4.21Å; Q335-W343 HydrophobicContact CB-CD2 3.65Å; Q335-W343 VanDerWaalsContact CB-CE2 3.43Å; Q335-W343 HydrophobicContact CB-CE3 4.39Å; Q335-W343 HydrophobicContact CB-CG 3.73Å; Q335-W343 HydrophobicContact CB-CZ2 4.06Å; Q335-W343 VanDerWaalsContact CB-NE1 3.32Å; Q335-W343 HydrophobicContact CG-CB 4.09Å; Q335-W343 HydrophobicContact CG-CD2 3.69Å; Q335-W343 HydrophobicContact CG-CE3 4.16Å; Q335-W343 HydrophobicContact CG-CG 3.64Å; D336-W343 PolarHBondContact O-NE1 3.36Å; R339-W343 PolarHBondContact O-NE1 3.28Å; P340-W343 VanDerWaalsContact CA-CD1 3.46Å; P340-W343 WeakPolarHBondContact O-CB 3.44Å; P340-W343 PolarHBondContact O-N 3.47Å; P340-W343 VanDerWaalsContact O-N 3.14Å; W343-S345 VanDerWaalsContact C-N 3.28Å; W343-S345 PolarHBondContact O-N 2.88Å; W343-S346 PolarHBondContact O-N 3.42Å; W343-S346 PolarHBondContact O-OG 2.71Å
344L84.8Confident85.9Confident72 Ų7277.9 Ų77.938%0.37739%0.385SS..THydrogen-bonded Turntrans-68.2-28.5-179.4-67.1172.3000113.2F261 T264 T342 I359F261-L344 HydrophobicContact CD2-CD2 4.34Å; F261-L344 HydrophobicContact CE2-CD2 3.91Å; T264-L344 HydrophobicContact CG2-CD1 3.9Å; T264-L344 HydrophobicContact CG2-CD2 4.17Å; T342-L344 PolarHBondContact O-N 2.87Å; L344-I359 HydrophobicContact CD2-CD1 3.69Å
345S83.4Confident86.1Confident95 Ų9571.7 Ų71.766%0.66436%0.363SS*.THydrogen-bonded Turntrans-86.4-5.9179.652.90000114T342 W343T342-S345 PolarHBondContact O-N 3.48Å; T342-S345 PolarHBondContact O-OG 3.01Å; W343-S345 VanDerWaalsContact C-N 3.28Å; W343-S345 PolarHBondContact O-N 2.88Å
346S87.6Confident86.4Confident26 Ų2674.4 Ų74.418%0.18238%0.375CS..  trans-83.3170-174.880.70000112.6F331 Q335 T342 W343F331-S346 WeakPolarHBondContact CE1-OG 3.31Å; Q335-S346 PolarHBondContact NE2-OG 3.27Å; Q335-S346 PolarHBondContact OE1-OG 3.49Å; T342-S346 PolarHBondContact O-N 3Å; W343-S346 PolarHBondContact O-N 3.42Å; W343-S346 PolarHBondContact O-OG 2.71Å
347K90.3Very high87Confident104 Ų10470.9 Ų70.945%0.45236%0.356SS..  trans-122.9136.9176.7-62169.1-178.2164.80108.5S311 F357 C358S311-K347 PolarHBondContact O-NZ 3.26Å; K347-F357 CarbonylContact C-O 3.58Å; K347-F357 WeakPolarHBondContact CA-O 3.33Å; K347-C358 HydrophobicContact CG-CB 4.2Å
348V92.8Very high87.8Confident1 Ų166.1 Ų66.11%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-127.2152.3180-55.20000110.6F331 R334 K356 F357F331-V348 HydrophobicContact CB-CG2 4.37Å; F331-V348 HydrophobicContact CD1-CG1 4.14Å; F331-V348 HydrophobicContact CD2-CB 4.39Å; F331-V348 HydrophobicContact CD2-CG1 4.16Å; F331-V348 HydrophobicContact CD2-CG2 3.33Å; F331-V348 HydrophobicContact CE1-CG1 4.14Å; F331-V348 HydrophobicContact CE2-CG1 4.15Å; F331-V348 HydrophobicContact CE2-CG2 3.67Å; F331-V348 HydrophobicContact CG-CG1 4.15Å; F331-V348 HydrophobicContact CG-CG2 3.9Å; F331-V348 HydrophobicContact CZ-CG1 4.15Å; F331-V348 HydrophobicContact CZ-CG2 4.47Å; R334-V348 HydrophobicContact CB-CB 4.18Å; R334-V348 HydrophobicContact CB-CG1 3.76Å; V348-K356 WeakPolarHBondContact O-CA 3.41Å; V348-F357 HydrophobicContact CG2-CD1 4.09Å; V348-F357 HydrophobicContact CG2-CE1 3.43Å; V348-F357 VanDerWaalsContact CG2-CE1 3.43Å; V348-F357 HydrophobicContact CG2-CE2 4.03Å; V348-F357 HydrophobicContact CG2-CZ 3.39Å; V348-F357 PolarHBondContact N-O 2.88Å; V348-F357 WeakPolarHBondContact O-CD1 3.29Å; V348-F357 PolarHBondContact O-N 3.46Å
349P94.4Very high88.7Confident46 Ų4658.5 Ų58.530%0.29930%0.3SS..EExtended strand (participates in β ladder)trans-72.9141.8174.529.6-33.9000110.9W330 R354W330-P349 PolarHBondContact NE1-O 2.94Å; P349-R354 HydrophobicContact CB-CB 4.2Å; P349-R354 WeakPolarHBondContact CB-O 3.46Å
350C94.1Very high89.3Confident4 Ų455.3 Ų55.33%0.02729%0.294CS..  trans-53132.8168.2176.80000109.9L298 T352 C353 R354 A355 F357L298-C350 HydrophobicContact CD1-CB 3.86Å; C350-T352 PolarHBondContact O-N 2.82Å; C350-C353 VanDerWaalsContact SG-SG 3.66Å; C350-R354 WeakPolarHBondContact O-CA 3.44Å; C350-R354 PolarHBondContact O-N 2.86Å; C350-A355 HydrophobicContact CB-CB 4.48Å; C350-A355 WeakPolarHBondContact CB-O 3.2Å; C350-A355 PolarHBondContact N-O 2.97Å; C350-F357 HydrophobicContact CB-CD1 4.41Å
351P93.6Very high90.2Very high30 Ų3053.1 Ų53.120%0.19528%0.279CS..THydrogen-bonded Turntrans-54.7-28.2178.8-22.727.3000114W322 L327 W330W322-P351 HydrophobicContact CD2-CG 4.33Å; W322-P351 HydrophobicContact CH2-CB 4Å; W322-P351 HydrophobicContact CH2-CG 4.42Å; W322-P351 HydrophobicContact CZ2-CB 3.26Å; W322-P351 HydrophobicContact CZ2-CG 3.81Å; L327-P351 HydrophobicContact CD1-CG 4.18Å; W330-P351 HydrophobicContact CB-CG 4.32Å; W330-P351 HydrophobicContact CD2-CB 4.23Å; W330-P351 HydrophobicContact CD2-CG 3.96Å; W330-P351 HydrophobicContact CG-CB 4.45Å; W330-P351 HydrophobicContact CG-CG 3.68Å; W330-P351 HydrophobicContact CZ2-CB 4.45Å
352T93.1Very high91Very high67 Ų6746.3 Ų46.341%0.41125%0.247SC..THydrogen-bonded Turntrans-101.2-57.4-172.1-480000112.6M321 W322 C350M321-T352 HydrophobicContact CE-CG2 3.59Å; M321-T352 VanDerWaalsContact CE-OG1 3.23Å; M321-T352 WeakPolarHBondContact CE-OG1 3.3Å; M321-T352 HydrophobicContact SD-CG2 4.35Å; W322-T352 PolarHBondContact NE1-OG1 3.07Å; C350-T352 PolarHBondContact O-N 2.82Å
353C92.9Very high91.5Very high60 Ų6043.7 Ų43.741%0.40523%0.231SC..THydrogen-bonded Turntrans-100.7-1.6-177.266.90000114.5C318 C350 A355C318-C353 WeakPolarHBondContact SG-CB 2.86Å; C350-C353 VanDerWaalsContact SG-SG 3.66Å; C353-A355 PolarHBondContact O-N 3.25Å; C353-A355 VanDerWaalsContact SG-CB 3.53Å
354R92.8Very high91.9Very high203 Ų20345.6 Ų45.677%0.76624%0.241SC*.  trans61.54.8-177-54-178.5179.1-177.8-0.4116.5P349 C350 K356P349-R354 HydrophobicContact CB-CB 4.2Å; P349-R354 WeakPolarHBondContact CB-O 3.46Å; C350-R354 WeakPolarHBondContact O-CA 3.44Å; C350-R354 PolarHBondContact O-N 2.86Å; R354-K356 PolarHBondContact O-N 2.98Å
355A91.8Very high92.2Very high9 Ų943.2 Ų43.27%0.07423%0.229CC..  trans-54.1123.7170.600000109.9Q314 C316 C350 C353Q314-A355 HydrophobicContact CB-CB 4.08Å; C316-A355 HydrophobicContact CB-CB 4.23Å; C350-A355 HydrophobicContact CB-CB 4.48Å; C350-A355 WeakPolarHBondContact CB-O 3.2Å; C350-A355 PolarHBondContact N-O 2.97Å; C353-A355 PolarHBondContact O-N 3.25Å; C353-A355 VanDerWaalsContact SG-CB 3.53Å
356K93.3Very high92Very high78 Ų7845.4 Ų45.434%0.33923%0.229SC..EExtended strand (participates in β ladder)trans-67.1133.7-179.5-75.3-178.21711800110.3S311 C313 Q314 V348 R354S311-K356 PolarHBondContact OG-NZ 3.28Å; C313-K356 CarbonylContact C-O 3.54Å; C313-K356 WeakPolarHBondContact CA-O 3.48Å; Q314-K356 PolarHBondContact N-O 3.33Å; V348-K356 WeakPolarHBondContact O-CA 3.41Å; R354-K356 PolarHBondContact O-N 2.98Å
357F93.9Very high92.2Very high2 Ų246.4 Ų46.41%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-139.7156.6177.774.7-84.6000110.7L298 L327 F331 K347 V348 C350 D361 V362L298-F357 HydrophobicContact CD1-CB 4.47Å; L298-F357 HydrophobicContact CD1-CD1 3.58Å; L298-F357 HydrophobicContact CD1-CD2 4.3Å; L298-F357 HydrophobicContact CD1-CE1 3.77Å; L298-F357 HydrophobicContact CD1-CE2 4.47Å; L298-F357 HydrophobicContact CD1-CG 3.87Å; L298-F357 HydrophobicContact CD1-CZ 4.22Å; L298-F357 HydrophobicContact CD2-CB 4.44Å; L298-F357 HydrophobicContact CD2-CD1 4.27Å; L298-F357 HydrophobicContact CD2-CD2 3.44Å; L298-F357 VanDerWaalsContact CD2-CD2 3.44Å; L298-F357 HydrophobicContact CD2-CE1 4.4Å; L298-F357 HydrophobicContact CD2-CE2 3.61Å; L298-F357 HydrophobicContact CD2-CG 3.8Å; L298-F357 HydrophobicContact CD2-CZ 4.1Å; L298-F357 HydrophobicContact CG-CD2 4.49Å; L298-F357 HydrophobicContact CG-CG 4.42Å; L327-F357 HydrophobicContact CD1-CZ 3.89Å; L327-F357 HydrophobicContact CG-CZ 4.43Å; F331-F357 AromaticContact CD2-CE2 3.79Å; F331-F357 HydrophobicContact CD2-CE2 3.79Å; F331-F357 HydrophobicContact CD2-CZ 4.03Å; F331-F357 HydrophobicContact CE2-CE2 4.13Å; K347-F357 CarbonylContact C-O 3.58Å; K347-F357 WeakPolarHBondContact CA-O 3.33Å; V348-F357 HydrophobicContact CG2-CD1 4.09Å; V348-F357 HydrophobicContact CG2-CE1 3.43Å; V348-F357 VanDerWaalsContact CG2-CE1 3.43Å; V348-F357 HydrophobicContact CG2-CE2 4.03Å; V348-F357 HydrophobicContact CG2-CZ 3.39Å; V348-F357 PolarHBondContact N-O 2.88Å; V348-F357 WeakPolarHBondContact O-CD1 3.29Å; V348-F357 PolarHBondContact O-N 3.46Å; C350-F357 HydrophobicContact CB-CD1 4.41Å; F357-D361 HydrophobicContact CB-CB 4.1Å; F357-V362 HydrophobicContact CD2-CG2 3.9Å; F357-V362 HydrophobicContact CE2-CG2 3.72Å
358C92.6Very high92.3Very high14 Ų1443.4 Ų43.410%0.09522%0.22CC..  trans-111.6174.1171.3730000110.7C313 K347 L360 D361C313-C358 PolarHBondContact SG-N 2.87Å; K347-C358 HydrophobicContact CG-CB 4.2Å; C358-L360 PolarHBondContact O-N 3.1Å; C358-D361 PolarHBondContact N-OD2 3.08Å; C358-D361 WeakPolarHBondContact O-CB 3.36Å; C358-D361 PolarHBondContact O-N 3.33Å; C358-D361 PolarHBondContact SG-OD2 3.04Å
359I92.4Very high92.3Very high12 Ų1245.7 Ų45.76%0.06223%0.231CC..G310 helixtrans-57.5-31.9-179-166167.1000113.5F265 Q268 V269 N272 L344 D361 V362F265-I359 HydrophobicContact CB-CD1 4.49Å; F265-I359 HydrophobicContact CD2-CD1 3.6Å; F265-I359 HydrophobicContact CD2-CG1 3.85Å; F265-I359 HydrophobicContact CE2-CD1 4.17Å; F265-I359 HydrophobicContact CE2-CG1 3.89Å; F265-I359 HydrophobicContact CG-CD1 4.28Å; Q268-I359 HydrophobicContact CB-CD1 3.57Å; Q268-I359 HydrophobicContact CB-CG1 4.22Å; Q268-I359 HydrophobicContact CG-CD1 4.09Å; V269-I359 HydrophobicContact CG2-CG1 4.08Å; N272-I359 PolarHBondContact ND2-O 2.89Å; L344-I359 HydrophobicContact CD2-CD1 3.69Å; I359-D361 PolarHBondContact O-N 3.1Å; I359-V362 PolarHBondContact O-N 3.43Å
360L91.5Very high92.2Very high84 Ų8445.7 Ų45.744%0.4423%0.228SC..G310 helixtrans-69.1-21.7178.9-57.2176.8000112.9C302 C358 V362C302-L360 HydrophobicContact CB-CB 4.39Å; C302-L360 HydrophobicContact CB-CD1 4.26Å; C358-L360 PolarHBondContact O-N 3.1Å; L360-V362 VanDerWaalsContact C-N 3.26Å; L360-V362 PolarHBondContact O-N 3.05Å
361D92.3Very high92Very high2 Ų248.3 Ų48.31%0.01124%0.24CC..G310 helixtrans-84.6-1.8-179-57.6-41.9000112.5L298 V299 R300 L301 C302 C313 F357 C358 I359L298-D361 CarbonylContact C-O 3.59Å; L298-D361 WeakPolarHBondContact CA-O 3.34Å; V299-D361 PolarHBondContact N-O 3.17Å; V299-D361 CarbonylContact O-C 3.47Å; V299-D361 WeakPolarHBondContact O-CA 3.48Å; V299-D361 VanDerWaalsContact O-CB 3.24Å; V299-D361 WeakPolarHBondContact O-CB 3.43Å; R300-D361 WeakPolarHBondContact CA-OD1 3.41Å; L301-D361 PolarHBondContact N-OD1 3.41Å; C302-D361 PolarHBondContact N-OD1 3.28Å; C302-D361 VanDerWaalsContact N-OD1 3.1Å; C302-D361 PolarHBondContact SG-OD1 2.88Å; C313-D361 WeakPolarHBondContact CB-OD2 3.08Å; C313-D361 PolarHBondContact SG-OD2 2.86Å; F357-D361 HydrophobicContact CB-CB 4.1Å; C358-D361 PolarHBondContact N-OD2 3.08Å; C358-D361 WeakPolarHBondContact O-CB 3.36Å; C358-D361 PolarHBondContact O-N 3.33Å; C358-D361 PolarHBondContact SG-OD2 3.04Å; I359-D361 PolarHBondContact O-N 3.1Å
362V94.8Very high91.9Very high0 Ų049.5 Ų49.50%024%0.243CC..EExtended strand (participates in β ladder)trans-91.9117-178.3-172.80000109.4F265 V269 N272 T296 L298 L327 F357 I359 L360F265-V362 HydrophobicContact CZ-CG1 4.47Å; F265-V362 HydrophobicContact CZ-CG2 4.09Å; V269-V362 HydrophobicContact CG1-CB 4.17Å; V269-V362 HydrophobicContact CG1-CG1 3.72Å; V269-V362 HydrophobicContact CG2-CB 3.81Å; V269-V362 HydrophobicContact CG2-CG1 3.9Å; V269-V362 HydrophobicContact CG2-CG2 4.47Å; N272-V362 WeakPolarHBondContact CB-O 3.38Å; N272-V362 PolarHBondContact ND2-O 2.86Å; T296-V362 HydrophobicContact CG2-CG1 4.31Å; L298-V362 HydrophobicContact CD2-CB 4.39Å; L298-V362 HydrophobicContact CD2-CG2 3.78Å; L327-V362 HydrophobicContact CD2-CG1 3.73Å; L327-V362 HydrophobicContact CD2-CG2 4.33Å; F357-V362 HydrophobicContact CD2-CG2 3.9Å; F357-V362 HydrophobicContact CE2-CG2 3.72Å; I359-V362 PolarHBondContact O-N 3.43Å; L360-V362 VanDerWaalsContact C-N 3.26Å; L360-V362 PolarHBondContact O-N 3.05Å
363C94Very high91.9Very high4 Ų448.3 Ų48.33%0.02723%0.231CC..EExtended strand (participates in β ladder)trans-109136.2178.7-58.50000110.4Q273 T296 K297 L301Q273-C363 VanDerWaalsContact O-CB 3.25Å; Q273-C363 WeakPolarHBondContact O-CB 3.4Å; Q273-C363 PolarHBondContact O-SG 3.18Å; Q273-C363 VanDerWaalsContact O-SG 3.35Å; T296-C363 WeakPolarHBondContact CA-O 3.44Å; K297-C363 PolarHBondContact N-O 3.09Å; K297-C363 WeakPolarHBondContact O-CB 3.35Å; K297-C363 PolarHBondContact O-N 3.19Å; L301-C363 VanDerWaalsContact CD1-SG 3.54Å
364M93.2Very high91.8Very high45 Ų4547.4 Ų47.422%0.22222%0.218CC..EExtended strand (participates in β ladder)trans-73134.7167.6-69.5-67.3-75.600109.8V269 R274 Y275 T296 L324V269-M364 HydrophobicContact CG1-CG 3.96Å; V269-M364 HydrophobicContact CG1-SD 4.17Å; R274-M364 CarbonylContact C-O 3.57Å; R274-M364 WeakPolarHBondContact CA-O 3.32Å; Y275-M364 PolarHBondContact N-O 3.3Å; T296-M364 HydrophobicContact CG2-SD 4.01Å; L324-M364 HydrophobicContact CB-SD 4.25Å; L324-M364 HydrophobicContact CD1-SD 3.96Å; L324-M364 HydrophobicContact CD2-CE 4.34Å; L324-M364 HydrophobicContact CD2-SD 3.94Å; L324-M364 HydrophobicContact CG-SD 4.29Å
365V91.1Very high91.7Very high22 Ų2234.4 Ų34.413%0.13317%0.172CC..BIsolated β-bridgetrans-84.6134175.2-179.80000108.9Y275 L277 S295 K297 P320Y275-V365 HydrophobicContact CD1-CG2 4.39Å; L277-V365 HydrophobicContact CD1-CG1 3.37Å; L277-V365 HydrophobicContact CD2-CG1 4.11Å; L277-V365 HydrophobicContact CG-CG1 3.54Å; S295-V365 PolarHBondContact O-N 2.9Å; K297-V365 HydrophobicContact CB-CG2 3.97Å; P320-V365 HydrophobicContact CB-CG2 4Å; P320-V365 HydrophobicContact CG-CG2 4.02Å
366H79.5Confident91.7Very high141 Ų14136.7 Ų36.765%0.65318%0.181SC*.  trans-133.5017190.9-61.3000111.6Y275 T276Y275-H366 PolarHBondContact O-N 3.31Å; T276-H366 PolarHBondContact OG1-CE1 3.49Å

Retrieved 366 of 366 residues in 129.2 ms (Link to these results)

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