A0A087YKB3_POEFO Loading...

G protein-coupled receptor kinase

AlphaFold DB , UniProt , Accession A0A087YKB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 629 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
1M47.9Very low63.8Low137 Ų13790.3 Ų90.368%0.67550%0.495SS*.  041.70-94.4-179.4-105.600111.6E3 L11M1-E3 PolarHBondContact O-N 3.44Å; M1-L11 HydrophobicContact CE-CD2 3.4Å; M1-L11 VanDerWaalsContact CE-CD2 3.4Å; M1-L11 HydrophobicContact SD-CD2 3.82Å
2N46.4Very low65.7Low165 Ų16594.3 Ų94.388%0.88250%0.504SS*.THydrogen-bonded Turntrans-83.813.2-174.2-64.1-7.5000114.2
3E48.2Very low67.6Low113 Ų11387.2 Ų87.253%0.52847%0.466SS..THydrogen-bonded Turntrans-124.2-1-171.6-73.3177.3163.600113.8M1 D5 K98M1-E3 PolarHBondContact O-N 3.44Å; E3-D5 PolarHBondContact O-N 3.07Å; E3-K98 IonicContact OE1-NZ 3.68Å; E3-K98 WeakPolarHBondContact OE2-CE 3.35Å; E3-K98 IonicContact OE2-NZ 2.92Å; E3-K98 PolarHBondContact OE2-NZ 3.02Å
4I54.1Low69.3Low31 Ų3186.4 Ų86.416%0.15945%0.454CS..SBendtrans-78.2114.2155.6-56177.5000103.1E6 K92I4-E6 HydrophobicContact CG2-CB 4.42Å; I4-E6 PolarHBondContact O-N 3.09Å; I4-K92 HydrophobicContact CG2-CD 4.24Å
5D52.1Low70.8Confident173 Ų17387.4 Ų87.493%0.92546%0.455SS*.SBendtrans-58.71.7-176.9-73.5-37.6000114.3E3E3-D5 PolarHBondContact O-N 3.07Å
6E60.2Low72.2Confident120 Ų12084.8 Ų84.856%0.56144%0.44SS*.SBendtrans-118.4130.2174.6-73.5167.4-172.800110.4I4 V8 K92I4-E6 HydrophobicContact CG2-CB 4.42Å; I4-E6 PolarHBondContact O-N 3.09Å; E6-V8 PolarHBondContact O-N 3.45Å; E6-K92 IonicContact OE1-NZ 3.92Å; E6-K92 PolarHBondContact OE1-NZ 3.24Å; E6-K92 IonicContact OE2-NZ 3.36Å; E6-K92 PolarHBondContact OE2-NZ 3.39Å
7A67.7Low73.5Confident99 Ų9979.9 Ų79.982%0.81842%0.415SS*.  trans-62.1132169.900000110.2P9A7-P9 VanDerWaalsContact C-CD 3.47Å; A7-P9 WeakPolarHBondContact O-CD 3.43Å
8V77.4Confident74.5Confident32 Ų3278.2 Ų78.219%0.19440%0.404CS..  trans-102.582175.2-173.60000108.8E6 Q10 L11 L85 I89E6-V8 PolarHBondContact O-N 3.45Å; V8-Q10 HydrophobicContact CG1-CB 4.47Å; V8-Q10 PolarHBondContact O-N 3.29Å; V8-L11 HydrophobicContact CG1-CB 4.27Å; V8-L11 PolarHBondContact O-N 3.48Å; V8-L11 VanDerWaalsContact O-N 3.17Å; V8-L85 HydrophobicContact CG1-CD2 3.75Å; V8-I89 HydrophobicContact CG1-CD1 4.26Å; V8-I89 HydrophobicContact CG1-CG2 4.37Å; V8-I89 HydrophobicContact CG2-CG2 4.33Å
9P79.7Confident75.4Confident59 Ų5978.9 Ų78.938%0.38341%0.405SS..Hα-helixtrans-60.7-26.9-176.325.2-35.5000113.2A7 L11 K12 F13A7-P9 VanDerWaalsContact C-CD 3.47Å; A7-P9 WeakPolarHBondContact O-CD 3.43Å; P9-L11 PolarHBondContact O-N 3.5Å; P9-K12 PolarHBondContact O-N 3.2Å; P9-F13 PolarHBondContact O-N 3.24Å; P9-F13 VanDerWaalsContact O-N 3.1Å
10Q83.5Confident76.3Confident24 Ų2475 Ų7511%0.11239%0.385CS..Hα-helixtrans-58.4-34.3177.6-56.886.9-16.100112V8 F13 Y14 I81V8-Q10 HydrophobicContact CG1-CB 4.47Å; V8-Q10 PolarHBondContact O-N 3.29Å; Q10-F13 PolarHBondContact O-N 3.33Å; Q10-Y14 WeakPolarHBondContact O-CB 3.47Å; Q10-Y14 PolarHBondContact O-N 3.28Å; Q10-I81 HydrophobicContact CB-CG1 4.45Å; Q10-I81 HydrophobicContact CB-CG2 3.94Å
11L84.8Confident76.9Confident40 Ų4073.9 Ų73.921%0.20938%0.378CS..Hα-helixtrans-70.5-41.7180-169.472.4000111.7M1 V8 P9 F13 Y14 E15M1-L11 HydrophobicContact CE-CD2 3.4Å; M1-L11 VanDerWaalsContact CE-CD2 3.4Å; M1-L11 HydrophobicContact SD-CD2 3.82Å; V8-L11 HydrophobicContact CG1-CB 4.27Å; V8-L11 PolarHBondContact O-N 3.48Å; V8-L11 VanDerWaalsContact O-N 3.17Å; P9-L11 PolarHBondContact O-N 3.5Å; L11-F13 VanDerWaalsContact C-N 3.29Å; L11-F13 PolarHBondContact O-N 2.97Å; L11-Y14 WeakPolarHBondContact O-CB 3.43Å; L11-Y14 PolarHBondContact O-N 2.93Å; L11-E15 WeakPolarHBondContact O-CG 3.27Å; L11-E15 PolarHBondContact O-N 2.68Å
12K86.7Confident78.7Confident138 Ų13873.7 Ų73.760%0.637%0.373SS*.Hα-helixtrans-62.6-39.9174.4-70.1-175.1177.7-1780111.2P9 E15 E16 Y40P9-K12 PolarHBondContact O-N 3.2Å; K12-E15 PolarHBondContact O-N 3.47Å; K12-E16 WeakPolarHBondContact O-CG 3.47Å; K12-E16 PolarHBondContact O-N 3.14Å; K12-Y40 HydrophobicContact CB-CE1 4.34Å
13F90.3Very high80.7Confident3 Ų368 Ų681%0.01334%0.343CS..Hα-helixtrans-64.1-42.6175.8-173.1-160.7000111.4P9 Q10 L11 E15 E16 I17 I36 Y40 I41 F52 Y77 I81P9-F13 PolarHBondContact O-N 3.24Å; P9-F13 VanDerWaalsContact O-N 3.1Å; Q10-F13 PolarHBondContact O-N 3.33Å; L11-F13 VanDerWaalsContact C-N 3.29Å; L11-F13 PolarHBondContact O-N 2.97Å; F13-E15 PolarHBondContact O-N 3.17Å; F13-E16 PolarHBondContact O-N 2.71Å; F13-I17 HydrophobicContact CD2-CD1 3.85Å; F13-I17 HydrophobicContact CD2-CG1 3.96Å; F13-I17 HydrophobicContact CE1-CD1 4.42Å; F13-I17 HydrophobicContact CE2-CD1 3.59Å; F13-I17 HydrophobicContact CE2-CG1 3.73Å; F13-I17 HydrophobicContact CG-CD1 4.34Å; F13-I17 HydrophobicContact CZ-CD1 3.91Å; F13-I17 HydrophobicContact CZ-CG1 4.48Å; F13-I17 VanDerWaalsContact O-CG1 3.31Å; F13-I17 WeakPolarHBondContact O-CG1 3.39Å; F13-I17 PolarHBondContact O-N 3.04Å; F13-I36 HydrophobicContact CD2-CG2 4.12Å; F13-I36 HydrophobicContact CE2-CG2 3.46Å; F13-I36 VanDerWaalsContact CE2-CG2 3.46Å; F13-I36 HydrophobicContact CZ-CG2 4.44Å; F13-Y40 HydrophobicContact CB-CD1 3.55Å; F13-Y40 HydrophobicContact CB-CE1 3.93Å; F13-Y40 HydrophobicContact CB-CG 4.05Å; F13-Y40 HydrophobicContact CD2-CD1 4.04Å; F13-Y40 AromaticContact CD2-CD2 3.93Å; F13-Y40 HydrophobicContact CD2-CD2 3.93Å; F13-Y40 AromaticContact CD2-CG 3.59Å; F13-Y40 HydrophobicContact CD2-CG 3.59Å; F13-Y40 HydrophobicContact CE2-CD2 4.48Å; F13-Y40 HydrophobicContact CE2-CG 4.22Å; F13-Y40 AromaticContact CG-CD1 3.82Å; F13-Y40 HydrophobicContact CG-CD1 3.82Å; F13-Y40 AromaticContact CG-CG 3.8Å; F13-Y40 HydrophobicContact CG-CG 3.8Å; F13-I41 HydrophobicContact CE1-CG1 4.39Å; F13-I41 HydrophobicContact CZ-CD1 4.1Å; F13-I41 HydrophobicContact CZ-CG1 3.89Å; F13-F52 HydrophobicContact CD1-CE2 4.05Å; F13-F52 AromaticContact CD1-CZ 3.69Å; F13-F52 HydrophobicContact CD1-CZ 3.69Å; F13-F52 HydrophobicContact CE1-CE1 4.43Å; F13-F52 AromaticContact CE1-CE2 3.75Å; F13-F52 HydrophobicContact CE1-CE2 3.75Å; F13-F52 AromaticContact CE1-CZ 3.63Å; F13-F52 HydrophobicContact CE1-CZ 3.63Å; F13-Y77 AromaticContact CE1-CD1 3.83Å; F13-Y77 HydrophobicContact CE1-CD1 3.83Å; F13-Y77 HydrophobicContact CE1-CE1 4.44Å; F13-Y77 AromaticContact CE1-CG 3.99Å; F13-Y77 HydrophobicContact CE1-CG 3.99Å; F13-Y77 HydrophobicContact CZ-CD1 4.15Å; F13-Y77 HydrophobicContact CZ-CD2 4.3Å; F13-Y77 AromaticContact CZ-CG 3.94Å; F13-Y77 HydrophobicContact CZ-CG 3.94Å; F13-I81 HydrophobicContact CB-CD1 4.21Å; F13-I81 HydrophobicContact CD1-CD1 3.59Å; F13-I81 HydrophobicContact CD1-CG1 4.35Å; F13-I81 HydrophobicContact CE1-CD1 4.11Å; F13-I81 HydrophobicContact CG-CD1 4Å
14Y91.4Very high82.2Confident75 Ų7565.9 Ų65.929%0.29434%0.335SS..Hα-helixtrans-57-47.8173.3177.9-85.5000112.1Q10 L11 E16 I17 K18 I78 I81Q10-Y14 WeakPolarHBondContact O-CB 3.47Å; Q10-Y14 PolarHBondContact O-N 3.28Å; L11-Y14 WeakPolarHBondContact O-CB 3.43Å; L11-Y14 PolarHBondContact O-N 2.93Å; Y14-E16 PolarHBondContact O-N 3.22Å; Y14-I17 PolarHBondContact O-N 3.2Å; Y14-K18 HydrophobicContact CD1-CG 4.03Å; Y14-K18 HydrophobicContact CE1-CD 4.39Å; Y14-K18 HydrophobicContact CE1-CG 3.59Å; Y14-K18 VanDerWaalsContact CZ-CE 3.45Å; Y14-K18 WeakPolarHBondContact O-CG 3.26Å; Y14-K18 PolarHBondContact O-N 3.09Å; Y14-K18 WeakPolarHBondContact OH-CE 3.27Å; Y14-I78 HydrophobicContact CD2-CD1 3.36Å; Y14-I78 HydrophobicContact CD2-CG2 4.45Å; Y14-I78 HydrophobicContact CE2-CD1 3.64Å; Y14-I78 HydrophobicContact CE2-CG2 4.05Å; Y14-I78 HydrophobicContact CG-CD1 4.16Å; Y14-I81 HydrophobicContact CD2-CG2 4.42Å
15E91.4Very high83.7Confident102 Ų10266.4 Ų66.448%0.47734%0.342SS..Hα-helixtrans-59.7-44.9178.1-72.2171.3169.900111.9L11 K12 F13 I17 K18 E19L11-E15 WeakPolarHBondContact O-CG 3.27Å; L11-E15 PolarHBondContact O-N 2.68Å; K12-E15 PolarHBondContact O-N 3.47Å; F13-E15 PolarHBondContact O-N 3.17Å; E15-I17 VanDerWaalsContact C-N 3.31Å; E15-I17 PolarHBondContact O-N 3.07Å; E15-K18 PolarHBondContact O-N 3.41Å; E15-E19 PolarHBondContact O-N 3.44Å
16E93.9Very high85.4Confident46 Ų4663.6 Ų63.622%0.21532%0.323CS..Hα-helixtrans-63.3-36.5177.6-67-81.211200112.5K12 F13 Y14 E19 Y20 R32 I36 Y40K12-E16 WeakPolarHBondContact O-CG 3.47Å; K12-E16 PolarHBondContact O-N 3.14Å; F13-E16 PolarHBondContact O-N 2.71Å; Y14-E16 PolarHBondContact O-N 3.22Å; E16-E19 PolarHBondContact O-N 2.97Å; E16-Y20 WeakPolarHBondContact O-CB 3.47Å; E16-Y20 PolarHBondContact O-N 2.88Å; E16-R32 IonicContact OE1-CZ 2.64Å; E16-R32 IonicContact OE1-NH2 2.85Å; E16-R32 PolarHBondContact OE1-NH2 2.77Å; E16-R32 IonicContact OE2-CZ 3.15Å; E16-R32 IonicContact OE2-NH1 2.8Å; E16-R32 PolarHBondContact OE2-NH1 3.41Å; E16-R32 IonicContact OE2-NH2 2.9Å; E16-R32 PolarHBondContact OE2-NH2 3.42Å; E16-I36 HydrophobicContact CB-CD1 4.31Å; E16-I36 HydrophobicContact CB-CG1 4.35Å; E16-Y40 HydrophobicContact CB-CE2 4.27Å; E16-Y40 HydrophobicContact CG-CE2 3.82Å; E16-Y40 WeakPolarHBondContact CG-OH 3.43Å
17I93.5Very high86.8Confident1 Ų164.2 Ų64.21%0.00533%0.33CS..Hα-helixtrans-65.1-41.5172-65.3164.3000110.5F13 Y14 E15 E19 Y20 E21 F74 I78 I81F13-I17 HydrophobicContact CD2-CD1 3.85Å; F13-I17 HydrophobicContact CD2-CG1 3.96Å; F13-I17 HydrophobicContact CE1-CD1 4.42Å; F13-I17 HydrophobicContact CE2-CD1 3.59Å; F13-I17 HydrophobicContact CE2-CG1 3.73Å; F13-I17 HydrophobicContact CG-CD1 4.34Å; F13-I17 HydrophobicContact CZ-CD1 3.91Å; F13-I17 HydrophobicContact CZ-CG1 4.48Å; F13-I17 VanDerWaalsContact O-CG1 3.31Å; F13-I17 WeakPolarHBondContact O-CG1 3.39Å; F13-I17 PolarHBondContact O-N 3.04Å; Y14-I17 PolarHBondContact O-N 3.2Å; E15-I17 VanDerWaalsContact C-N 3.31Å; E15-I17 PolarHBondContact O-N 3.07Å; I17-E19 VanDerWaalsContact C-N 3.33Å; I17-E19 PolarHBondContact O-N 3.25Å; I17-Y20 WeakPolarHBondContact O-CB 3.45Å; I17-Y20 PolarHBondContact O-N 3Å; I17-Y20 VanDerWaalsContact O-N 3.16Å; I17-E21 WeakPolarHBondContact O-CG 3.24Å; I17-E21 PolarHBondContact O-N 3.4Å; I17-F74 HydrophobicContact CB-CB 4.33Å; I17-F74 HydrophobicContact CD1-CB 3.79Å; I17-F74 HydrophobicContact CD1-CG 4.47Å; I17-F74 HydrophobicContact CG1-CB 3.69Å; I17-F74 HydrophobicContact CG1-CD2 4.39Å; I17-F74 HydrophobicContact CG1-CG 4.03Å; I17-F74 HydrophobicContact CG2-CB 3.67Å; I17-F74 HydrophobicContact CG2-CG 4.48Å; I17-I78 HydrophobicContact CB-CD1 3.91Å; I17-I78 HydrophobicContact CD1-CD1 3.83Å; I17-I78 HydrophobicContact CD1-CG1 4.19Å; I17-I78 HydrophobicContact CG2-CD1 3.64Å; I17-I78 HydrophobicContact CG2-CG1 3.8Å; I17-I81 HydrophobicContact CD1-CD1 4.04Å
18K91.5Very high88Confident50 Ų5064 Ų6422%0.21731%0.312CS..Hα-helixtrans-65.6-33.8177.4-68.4-44.3-174.3-173.60113.3Y14 E15 E21 K22Y14-K18 HydrophobicContact CD1-CG 4.03Å; Y14-K18 HydrophobicContact CE1-CD 4.39Å; Y14-K18 HydrophobicContact CE1-CG 3.59Å; Y14-K18 VanDerWaalsContact CZ-CE 3.45Å; Y14-K18 WeakPolarHBondContact O-CG 3.26Å; Y14-K18 PolarHBondContact O-N 3.09Å; Y14-K18 WeakPolarHBondContact OH-CE 3.27Å; E15-K18 PolarHBondContact O-N 3.41Å; K18-E21 WeakPolarHBondContact CD-OE2 3.46Å; K18-E21 IonicContact NZ-OE1 3.08Å; K18-E21 PolarHBondContact NZ-OE1 2.86Å; K18-E21 IonicContact NZ-OE2 2.68Å; K18-E21 PolarHBondContact NZ-OE2 3.18Å; K18-K22 WeakPolarHBondContact O-CG 3.48Å
19E92.7Very high88.8Confident92 Ų9264.3 Ų64.343%0.4331%0.31SS..Hα-helixtrans-71.8-36.4171-67.1-53.3123.300112E15 E16 I17 E21 K22E15-E19 PolarHBondContact O-N 3.44Å; E16-E19 PolarHBondContact O-N 2.97Å; I17-E19 VanDerWaalsContact C-N 3.33Å; I17-E19 PolarHBondContact O-N 3.25Å; E19-E21 PolarHBondContact O-N 3.04Å; E19-K22 PolarHBondContact O-N 3.45Å; E19-K22 IonicContact OE1-NZ 2.76Å; E19-K22 PolarHBondContact OE1-NZ 3.45Å; E19-K22 IonicContact OE2-NZ 3.98Å
20Y92.8Very high89.5Confident0 Ų063.3 Ų63.30%030%0.301CS..Hα-helixtrans-61.3-40.9173167.8-89.9000112.8E16 I17 K22 L23 R29 R32 I36 V69 P70 P71 L73 F74E16-Y20 WeakPolarHBondContact O-CB 3.47Å; E16-Y20 PolarHBondContact O-N 2.88Å; I17-Y20 WeakPolarHBondContact O-CB 3.45Å; I17-Y20 PolarHBondContact O-N 3Å; I17-Y20 VanDerWaalsContact O-N 3.16Å; Y20-K22 PolarHBondContact O-N 2.9Å; Y20-L23 HydrophobicContact CD2-CD1 4.21Å; Y20-L23 WeakPolarHBondContact O-CB 3.36Å; Y20-L23 PolarHBondContact O-N 3.35Å; Y20-R29 HydrophobicContact CD2-CB 4.45Å; Y20-R29 HydrophobicContact CD2-CG 4.35Å; Y20-R29 HydrophobicContact CE2-CB 3.63Å; Y20-R29 HydrophobicContact CE2-CG 3.82Å; Y20-R29 WeakPolarHBondContact CE2-O 3.01Å; Y20-R32 HydrophobicContact CD2-CB 4.19Å; Y20-R32 HydrophobicContact CD2-CG 4.18Å; Y20-I36 HydrophobicContact CD2-CD1 4.46Å; Y20-I36 HydrophobicContact CG-CD1 4.33Å; Y20-V69 VanDerWaalsContact OH-C 3.29Å; Y20-V69 WeakPolarHBondContact OH-CB 3.38Å; Y20-V69 PolarHBondContact OH-O 3.17Å; Y20-P70 WeakPolarHBondContact CE1-O 3.11Å; Y20-P70 PolarHBondContact OH-O 3.33Å; Y20-P71 WeakPolarHBondContact CE1-O 3.46Å; Y20-L73 HydrophobicContact CE1-CB 4.04Å; Y20-F74 AromaticContact CD1-CD2 3.68Å; Y20-F74 HydrophobicContact CD1-CD2 3.68Å; Y20-F74 AromaticContact CD1-CE2 3.93Å; Y20-F74 HydrophobicContact CD1-CE2 3.93Å; Y20-F74 HydrophobicContact CD2-CE2 4.04Å; Y20-F74 AromaticContact CE1-CD2 3.82Å; Y20-F74 HydrophobicContact CE1-CD2 3.82Å; Y20-F74 AromaticContact CE1-CE2 3.97Å; Y20-F74 HydrophobicContact CE1-CE2 3.97Å; Y20-F74 HydrophobicContact CE2-CE2 4.07Å; Y20-F74 HydrophobicContact CG-CD2 4.1Å; Y20-F74 AromaticContact CG-CE2 3.96Å; Y20-F74 HydrophobicContact CG-CE2 3.96Å
21E88.7Confident90Very high51 Ų5165.3 Ų65.324%0.23832%0.318CS..Hα-helixtrans-59.3-25.5177.3-76.6172.1-169.800112.7I17 K18 E19 P71I17-E21 WeakPolarHBondContact O-CG 3.24Å; I17-E21 PolarHBondContact O-N 3.4Å; K18-E21 WeakPolarHBondContact CD-OE2 3.46Å; K18-E21 IonicContact NZ-OE1 3.08Å; K18-E21 PolarHBondContact NZ-OE1 2.86Å; K18-E21 IonicContact NZ-OE2 2.68Å; K18-E21 PolarHBondContact NZ-OE2 3.18Å; E19-E21 PolarHBondContact O-N 3.04Å; E21-P71 WeakPolarHBondContact CG-O 3.23Å
22K86.4Confident90.5Very high133 Ų13365.9 Ų65.958%0.57832%0.317SS*.THydrogen-bonded Turntrans-88.7-8.1-178.9-63.8170.8-171.6171.20114.2K18 E19 Y20 D24K18-K22 WeakPolarHBondContact O-CG 3.48Å; E19-K22 PolarHBondContact O-N 3.45Å; E19-K22 IonicContact OE1-NZ 2.76Å; E19-K22 PolarHBondContact OE1-NZ 3.45Å; E19-K22 IonicContact OE2-NZ 3.98Å; Y20-K22 PolarHBondContact O-N 2.9Å; K22-D24 PolarHBondContact O-N 3.5Å
23L87.6Confident90.9Very high46 Ų4659.3 Ų59.324%0.24129%0.288CS..  trans-69.5129.4-177.2-69.5176.1000111.5Y20 E28 R29 R32Y20-L23 HydrophobicContact CD2-CD1 4.21Å; Y20-L23 WeakPolarHBondContact O-CB 3.36Å; Y20-L23 PolarHBondContact O-N 3.35Å; L23-E28 HydrophobicContact CB-CB 4.44Å; L23-E28 HydrophobicContact CD1-CB 4.22Å; L23-E28 HydrophobicContact CD2-CB 4.25Å; L23-R29 HydrophobicContact CB-CG 3.63Å; L23-R29 HydrophobicContact CD1-CG 4.15Å; L23-R29 PolarHBondContact O-NH1 3.13Å; L23-R32 HydrophobicContact CD1-CB 3.49Å; L23-R32 VanDerWaalsContact CD1-CB 3.49Å; L23-R32 HydrophobicContact CD1-CG 3.74Å
24D79.2Confident91.1Very high68 Ų6865.3 Ų65.336%0.36431%0.311SS..  trans-75-46.8-174.1-74-47.5000111.8K22 R29 Q388 L391K22-D24 PolarHBondContact O-N 3.5Å; D24-R29 PolarHBondContact O-NH1 3.19Å; D24-Q388 PolarHBondContact OD1-NE2 2.96Å; D24-L391 VanDerWaalsContact OD1-CD1 3.24Å; D24-L391 WeakPolarHBondContact OD1-CD1 3.33Å
25S86Confident91.2Very high43 Ų4366 Ų6630%0.30132%0.317SS..  trans-94147.6-173.172.50000113.8D27 E28 R29S25-D27 VanDerWaalsContact C-N 3.26Å; S25-D27 PolarHBondContact O-N 2.96Å; S25-E28 PolarHBondContact N-OE2 2.98Å; S25-E28 PolarHBondContact O-N 3.21Å; S25-E28 WeakPolarHBondContact OG-CB 3.39Å; S25-E28 WeakPolarHBondContact OG-CG 3.39Å; S25-E28 PolarHBondContact OG-N 2.92Å; S25-E28 VanDerWaalsContact OG-N 3.08Å; S25-E28 PolarHBondContact OG-OE2 3.45Å; S25-R29 WeakPolarHBondContact O-CG 3.49Å; S25-R29 PolarHBondContact O-N 3.47Å
26E88.1Confident91.3Very high114 Ų11461.2 Ų61.253%0.53329%0.294SS..Hα-helixtrans-63.7-34173.4-168.4173.3-166.600111.8R29 L30 V69E26-R29 PolarHBondContact O-N 3.17Å; E26-L30 WeakPolarHBondContact O-CB 3.43Å; E26-L30 PolarHBondContact O-N 3.35Å; E26-V69 HydrophobicContact CG-CG2 3.72Å
27D90.3Very high91.1Very high132 Ų13260.2 Ų60.271%0.70629%0.289SS*.Hα-helixtrans-66.4-43.5177.7-72.1-32.2000112.3S25 L30 S31S25-D27 VanDerWaalsContact C-N 3.26Å; S25-D27 PolarHBondContact O-N 2.96Å; D27-L30 PolarHBondContact O-N 2.98Å; D27-S31 PolarHBondContact O-N 3.28Å
28E92.4Very high90.9Very high96 Ų9664.9 Ų64.945%0.44931%0.314SS..Hα-helixtrans-63.2-44.7173.1-73.9163.6156.100110.9L23 S25 L30 S31 R32L23-E28 HydrophobicContact CB-CB 4.44Å; L23-E28 HydrophobicContact CD1-CB 4.22Å; L23-E28 HydrophobicContact CD2-CB 4.25Å; S25-E28 PolarHBondContact N-OE2 2.98Å; S25-E28 PolarHBondContact O-N 3.21Å; S25-E28 WeakPolarHBondContact OG-CB 3.39Å; S25-E28 WeakPolarHBondContact OG-CG 3.39Å; S25-E28 PolarHBondContact OG-N 2.92Å; S25-E28 VanDerWaalsContact OG-N 3.08Å; S25-E28 PolarHBondContact OG-OE2 3.45Å; E28-L30 VanDerWaalsContact C-N 3.29Å; E28-L30 PolarHBondContact O-N 3.12Å; E28-S31 PolarHBondContact O-N 2.84Å; E28-R32 VanDerWaalsContact O-CB 3.22Å; E28-R32 WeakPolarHBondContact O-CB 3.23Å; E28-R32 PolarHBondContact O-N 3.14Å
29R94.2Very high90.8Very high38 Ų3866.8 Ų66.814%0.14333%0.325CS..Hα-helixtrans-59.7-40.6175-74.9-168.3-59.6-87.5-2.6111.2Y20 L23 D24 S25 E26 R32 S33 V69Y20-R29 HydrophobicContact CD2-CB 4.45Å; Y20-R29 HydrophobicContact CD2-CG 4.35Å; Y20-R29 HydrophobicContact CE2-CB 3.63Å; Y20-R29 HydrophobicContact CE2-CG 3.82Å; Y20-R29 WeakPolarHBondContact CE2-O 3.01Å; L23-R29 HydrophobicContact CB-CG 3.63Å; L23-R29 HydrophobicContact CD1-CG 4.15Å; L23-R29 PolarHBondContact O-NH1 3.13Å; D24-R29 PolarHBondContact O-NH1 3.19Å; S25-R29 WeakPolarHBondContact O-CG 3.49Å; S25-R29 PolarHBondContact O-N 3.47Å; E26-R29 PolarHBondContact O-N 3.17Å; R29-R32 PolarHBondContact O-N 3.27Å; R29-S33 WeakPolarHBondContact O-CB 3.34Å; R29-S33 PolarHBondContact O-N 3.12Å; R29-S33 PolarHBondContact O-OG 3.47Å; R29-V69 HydrophobicContact CB-CB 4.17Å; R29-V69 HydrophobicContact CB-CG2 3.85Å; R29-V69 WeakPolarHBondContact CD-O 3.44Å; R29-V69 PolarHBondContact NE-O 3.25Å
30L94.2Very high90.4Very high37 Ų3764.3 Ų64.319%0.19431%0.313CS..Hα-helixtrans-65-42.5178.8-171.765.6000112E26 D27 E28 S33 R34 K67 V69E26-L30 WeakPolarHBondContact O-CB 3.43Å; E26-L30 PolarHBondContact O-N 3.35Å; D27-L30 PolarHBondContact O-N 2.98Å; E28-L30 VanDerWaalsContact C-N 3.29Å; E28-L30 PolarHBondContact O-N 3.12Å; L30-S33 PolarHBondContact O-OG 3.46Å; L30-S33 VanDerWaalsContact O-OG 3.08Å; L30-R34 WeakPolarHBondContact O-CG 3.45Å; L30-K67 HydrophobicContact CD1-CB 4.16Å; L30-K67 HydrophobicContact CD1-CG 4.45Å; L30-V69 HydrophobicContact CB-CG2 4.11Å; L30-V69 HydrophobicContact CD1-CG1 3.78Å; L30-V69 HydrophobicContact CD1-CG2 4.39Å
31S94.6Very high89.8Confident66 Ų6664.4 Ų64.446%0.46231%0.313SS..Hα-helixtrans-65.5-49.8175.2-173.90000111.5D27 E28 R34 Q35D27-S31 PolarHBondContact O-N 3.28Å; E28-S31 PolarHBondContact O-N 2.84Å; S31-R34 PolarHBondContact O-N 3.06Å; S31-Q35 WeakPolarHBondContact O-CG 3.48Å; S31-Q35 PolarHBondContact O-N 3.33Å
32R95.3Very high89.5Confident52 Ų5265.5 Ų65.520%0.19632%0.319CS..Hα-helixtrans-66.4-41.4-176.6-170.366.8161.5133.21.5112.5E16 Y20 L23 E28 R29 R34 Q35 I36E16-R32 IonicContact OE1-CZ 2.64Å; E16-R32 IonicContact OE1-NH2 2.85Å; E16-R32 PolarHBondContact OE1-NH2 2.77Å; E16-R32 IonicContact OE2-CZ 3.15Å; E16-R32 IonicContact OE2-NH1 2.8Å; E16-R32 PolarHBondContact OE2-NH1 3.41Å; E16-R32 IonicContact OE2-NH2 2.9Å; E16-R32 PolarHBondContact OE2-NH2 3.42Å; Y20-R32 HydrophobicContact CD2-CB 4.19Å; Y20-R32 HydrophobicContact CD2-CG 4.18Å; L23-R32 HydrophobicContact CD1-CB 3.49Å; L23-R32 VanDerWaalsContact CD1-CB 3.49Å; L23-R32 HydrophobicContact CD1-CG 3.74Å; E28-R32 VanDerWaalsContact O-CB 3.22Å; E28-R32 WeakPolarHBondContact O-CB 3.23Å; E28-R32 PolarHBondContact O-N 3.14Å; R29-R32 PolarHBondContact O-N 3.27Å; R32-R34 VanDerWaalsContact C-N 3.29Å; R32-R34 PolarHBondContact O-N 3.2Å; R32-Q35 WeakPolarHBondContact O-CB 3.09Å; R32-Q35 PolarHBondContact O-N 3.1Å; R32-I36 HydrophobicContact CG-CD1 3.93Å; R32-I36 HydrophobicContact CG-CG1 4.39Å; R32-I36 WeakPolarHBondContact O-CG1 3.39Å; R32-I36 PolarHBondContact O-N 3.46Å
33S95.3Very high88.9Confident0 Ų066.1 Ų66.10%032%0.322CS..Hα-helixtrans-62.2-35.9179.258.70000112.5R29 L30 Y37 L64 V69R29-S33 WeakPolarHBondContact O-CB 3.34Å; R29-S33 PolarHBondContact O-N 3.12Å; R29-S33 PolarHBondContact O-OG 3.47Å; L30-S33 PolarHBondContact O-OG 3.46Å; L30-S33 VanDerWaalsContact O-OG 3.08Å; S33-Y37 VanDerWaalsContact O-CB 3.28Å; S33-Y37 WeakPolarHBondContact O-CB 3.48Å; S33-Y37 PolarHBondContact O-N 2.95Å; S33-L64 WeakPolarHBondContact OG-CD2 3.27Å; S33-V69 WeakPolarHBondContact OG-CG1 3.35Å
34R93.4Very high88Confident130 Ų13065.7 Ų65.749%0.49132%0.318SS..Hα-helixtrans-65.4-45.7172.5-69.7175.2-177-133.6-3.2112L30 S31 R32 I36 Y37 D38L30-R34 WeakPolarHBondContact O-CG 3.45Å; S31-R34 PolarHBondContact O-N 3.06Å; R32-R34 VanDerWaalsContact C-N 3.29Å; R32-R34 PolarHBondContact O-N 3.2Å; R34-I36 PolarHBondContact O-N 3.48Å; R34-Y37 WeakPolarHBondContact O-CB 3.47Å; R34-Y37 PolarHBondContact O-N 2.68Å; R34-D38 VanDerWaalsContact O-CG 3.31Å; R34-D38 PolarHBondContact O-N 3.41Å
35Q93.8Very high87.4Confident90 Ų9066.4 Ų66.442%0.42132%0.322SS..Hα-helixtrans-59.6-47.1177.1-66.6172.4-100111.6S31 R32 Y37 D38 I39S31-Q35 WeakPolarHBondContact O-CG 3.48Å; S31-Q35 PolarHBondContact O-N 3.33Å; R32-Q35 WeakPolarHBondContact O-CB 3.09Å; R32-Q35 PolarHBondContact O-N 3.1Å; Q35-Y37 VanDerWaalsContact C-N 3.32Å; Q35-Y37 PolarHBondContact O-N 3.33Å; Q35-D38 PolarHBondContact O-N 3.4Å; Q35-I39 WeakPolarHBondContact O-CB 3.45Å; Q35-I39 WeakPolarHBondContact O-CD1 3.3Å; Q35-I39 VanDerWaalsContact O-CG1 3.23Å; Q35-I39 WeakPolarHBondContact O-CG1 3.4Å; Q35-I39 PolarHBondContact O-N 2.99Å
36I93Very high86.4Confident0 Ų070.6 Ų70.60%034%0.34CS..Hα-helixtrans-60.4-45.2177.5-71174.4000110.3F13 E16 Y20 R32 R34 D38 I39 Y40 F74F13-I36 HydrophobicContact CD2-CG2 4.12Å; F13-I36 HydrophobicContact CE2-CG2 3.46Å; F13-I36 VanDerWaalsContact CE2-CG2 3.46Å; F13-I36 HydrophobicContact CZ-CG2 4.44Å; E16-I36 HydrophobicContact CB-CD1 4.31Å; E16-I36 HydrophobicContact CB-CG1 4.35Å; Y20-I36 HydrophobicContact CD2-CD1 4.46Å; Y20-I36 HydrophobicContact CG-CD1 4.33Å; R32-I36 HydrophobicContact CG-CD1 3.93Å; R32-I36 HydrophobicContact CG-CG1 4.39Å; R32-I36 WeakPolarHBondContact O-CG1 3.39Å; R32-I36 PolarHBondContact O-N 3.46Å; R34-I36 PolarHBondContact O-N 3.48Å; I36-D38 PolarHBondContact O-N 3.24Å; I36-I39 PolarHBondContact O-N 3.36Å; I36-Y40 HydrophobicContact CG2-CD2 4.33Å; I36-Y40 PolarHBondContact O-N 2.9Å; I36-F74 HydrophobicContact CB-CE1 4.49Å; I36-F74 HydrophobicContact CB-CZ 4.01Å; I36-F74 HydrophobicContact CD1-CE2 4.2Å; I36-F74 HydrophobicContact CG2-CD1 4.35Å; I36-F74 HydrophobicContact CG2-CE1 3.76Å; I36-F74 HydrophobicContact CG2-CE2 4.25Å; I36-F74 HydrophobicContact CG2-CZ 3.71Å
37Y91.1Very high85.4Confident25 Ų2568.3 Ų68.310%0.09834%0.337CS..Iπ-helixtrans-58.8-48.7177.7-176.1-90.6000112.1S33 R34 Q35 I39 I41 M42 V60 Q61 L64S33-Y37 VanDerWaalsContact O-CB 3.28Å; S33-Y37 WeakPolarHBondContact O-CB 3.48Å; S33-Y37 PolarHBondContact O-N 2.95Å; R34-Y37 WeakPolarHBondContact O-CB 3.47Å; R34-Y37 PolarHBondContact O-N 2.68Å; Q35-Y37 VanDerWaalsContact C-N 3.32Å; Q35-Y37 PolarHBondContact O-N 3.33Å; Y37-I39 PolarHBondContact O-N 3.35Å; Y37-I41 HydrophobicContact CD2-CB 3.94Å; Y37-I41 HydrophobicContact CD2-CD1 3.69Å; Y37-I41 HydrophobicContact CD2-CG1 4.39Å; Y37-I41 HydrophobicContact CD2-CG2 3.99Å; Y37-I41 HydrophobicContact CE2-CB 4.04Å; Y37-I41 HydrophobicContact CE2-CD1 4.29Å; Y37-I41 HydrophobicContact CE2-CG2 3.59Å; Y37-I41 HydrophobicContact CG-CB 4.44Å; Y37-I41 HydrophobicContact CG-CD1 4.48Å; Y37-I41 CarbonylContact O-C 3.58Å; Y37-I41 WeakPolarHBondContact O-CA 3.49Å; Y37-I41 WeakPolarHBondContact O-CB 3.23Å; Y37-I41 PolarHBondContact O-N 3.45Å; Y37-M42 HydrophobicContact CD1-CB 4.37Å; Y37-M42 HydrophobicContact CE1-CB 4.07Å; Y37-M42 HydrophobicContact CE1-SD 4.2Å; Y37-M42 PolarHBondContact O-N 3.36Å; Y37-V60 HydrophobicContact CD2-CG1 4.1Å; Y37-Q61 HydrophobicContact CE2-CG 3.7Å; Y37-Q61 WeakPolarHBondContact OH-CG 3.41Å; Y37-Q61 PolarHBondContact OH-NE2 3.04Å; Y37-L64 HydrophobicContact CD2-CD1 3.7Å; Y37-L64 HydrophobicContact CE2-CD1 4.5Å; Y37-L64 HydrophobicContact CG-CD1 3.78Å
38D89Confident83.9Confident99 Ų9967.5 Ų67.553%0.52934%0.34SS..Iπ-helixtrans-66.6-40.5-177.6-68.3-21.1000112.4R34 Q35 I36R34-D38 VanDerWaalsContact O-CG 3.31Å; R34-D38 PolarHBondContact O-N 3.41Å; Q35-D38 PolarHBondContact O-N 3.4Å; I36-D38 PolarHBondContact O-N 3.24Å
39I87.7Confident82.2Confident90 Ų9067 Ų6746%0.46235%0.348SS..Iπ-helixtrans-75.1-46.1-175.4-66.7168.4000112Q35 I36 Y37 K43Q35-I39 WeakPolarHBondContact O-CB 3.45Å; Q35-I39 WeakPolarHBondContact O-CD1 3.3Å; Q35-I39 VanDerWaalsContact O-CG1 3.23Å; Q35-I39 WeakPolarHBondContact O-CG1 3.4Å; Q35-I39 PolarHBondContact O-N 2.99Å; I36-I39 PolarHBondContact O-N 3.36Å; Y37-I39 PolarHBondContact O-N 3.35Å; I39-K43 WeakPolarHBondContact O-CB 3.37Å
40Y84.4Confident80.4Confident41 Ų4168.6 Ų68.616%0.16136%0.356CS..Iπ-helixtrans-105.7-34.1-167.4-64.8-83.1000113.4K12 F13 E16 I36 E44K12-Y40 HydrophobicContact CB-CE1 4.34Å; F13-Y40 HydrophobicContact CB-CD1 3.55Å; F13-Y40 HydrophobicContact CB-CE1 3.93Å; F13-Y40 HydrophobicContact CB-CG 4.05Å; F13-Y40 HydrophobicContact CD2-CD1 4.04Å; F13-Y40 AromaticContact CD2-CD2 3.93Å; F13-Y40 HydrophobicContact CD2-CD2 3.93Å; F13-Y40 AromaticContact CD2-CG 3.59Å; F13-Y40 HydrophobicContact CD2-CG 3.59Å; F13-Y40 HydrophobicContact CE2-CD2 4.48Å; F13-Y40 HydrophobicContact CE2-CG 4.22Å; F13-Y40 AromaticContact CG-CD1 3.82Å; F13-Y40 HydrophobicContact CG-CD1 3.82Å; F13-Y40 AromaticContact CG-CG 3.8Å; F13-Y40 HydrophobicContact CG-CG 3.8Å; E16-Y40 HydrophobicContact CB-CE2 4.27Å; E16-Y40 HydrophobicContact CG-CE2 3.82Å; E16-Y40 WeakPolarHBondContact CG-OH 3.43Å; I36-Y40 HydrophobicContact CG2-CD2 4.33Å; I36-Y40 PolarHBondContact O-N 2.9Å; Y40-E44 WeakPolarHBondContact O-CG 3.2Å
41I82.1Confident79.1Confident1 Ų172.6 Ų72.61%0.00539%0.385CS..Iπ-helixtrans-96.1-54.3-174.2-58.8168.4000110.1F13 Y37 K43 E44 L45 V60 F74 Y77F13-I41 HydrophobicContact CE1-CG1 4.39Å; F13-I41 HydrophobicContact CZ-CD1 4.1Å; F13-I41 HydrophobicContact CZ-CG1 3.89Å; Y37-I41 HydrophobicContact CD2-CB 3.94Å; Y37-I41 HydrophobicContact CD2-CD1 3.69Å; Y37-I41 HydrophobicContact CD2-CG1 4.39Å; Y37-I41 HydrophobicContact CD2-CG2 3.99Å; Y37-I41 HydrophobicContact CE2-CB 4.04Å; Y37-I41 HydrophobicContact CE2-CD1 4.29Å; Y37-I41 HydrophobicContact CE2-CG2 3.59Å; Y37-I41 HydrophobicContact CG-CB 4.44Å; Y37-I41 HydrophobicContact CG-CD1 4.48Å; Y37-I41 CarbonylContact O-C 3.58Å; Y37-I41 WeakPolarHBondContact O-CA 3.49Å; Y37-I41 WeakPolarHBondContact O-CB 3.23Å; Y37-I41 PolarHBondContact O-N 3.45Å; I41-K43 PolarHBondContact O-N 2.86Å; I41-E44 PolarHBondContact O-N 2.89Å; I41-L45 HydrophobicContact CG2-CD1 3.95Å; I41-L45 HydrophobicContact CG2-CG 4.48Å; I41-L45 WeakPolarHBondContact O-CB 3.34Å; I41-L45 VanDerWaalsContact O-CG 3.27Å; I41-L45 WeakPolarHBondContact O-CG 3.5Å; I41-L45 PolarHBondContact O-N 3.04Å; I41-V60 HydrophobicContact CD1-CG1 4.3Å; I41-F74 HydrophobicContact CD1-CD1 4.33Å; I41-F74 HydrophobicContact CD1-CE1 3.98Å; I41-Y77 HydrophobicContact CD1-CD2 4.18Å; I41-Y77 HydrophobicContact CD1-CE1 4.32Å; I41-Y77 HydrophobicContact CD1-CE2 3.42Å; I41-Y77 VanDerWaalsContact CD1-CE2 3.42Å; I41-Y77 WeakPolarHBondContact CD1-OH 3.37Å; I41-Y77 HydrophobicContact CG1-CE1 4.21Å; I41-Y77 HydrophobicContact CG1-CE2 4.19Å; I41-Y77 VanDerWaalsContact CG2-OH 3.28Å; I41-Y77 WeakPolarHBondContact CG2-OH 3.28Å
42M80.9Confident78.6Confident75 Ų7570.5 Ų70.537%0.36937%0.367SS..Iπ-helixtrans-65.4-41.9-175.6-168.164.4-164.300111.8Y37 E44 L45 L46Y37-M42 HydrophobicContact CD1-CB 4.37Å; Y37-M42 HydrophobicContact CE1-CB 4.07Å; Y37-M42 HydrophobicContact CE1-SD 4.2Å; Y37-M42 PolarHBondContact O-N 3.36Å; M42-E44 PolarHBondContact O-N 3.48Å; M42-L45 PolarHBondContact O-N 3.44Å; M42-L46 HydrophobicContact CE-CD1 4.17Å; M42-L46 HydrophobicContact CE-CD2 4.21Å; M42-L46 HydrophobicContact CE-CG 4.18Å; M42-L46 HydrophobicContact CG-CD1 4.35Å; M42-L46 VanDerWaalsContact O-CG 3.27Å; M42-L46 WeakPolarHBondContact O-CG 3.44Å; M42-L46 PolarHBondContact O-N 3.37Å; M42-L46 VanDerWaalsContact O-N 3.1Å
43K73.9Confident78.3Confident146 Ų14670.2 Ų70.264%0.63537%0.373SS*.Hα-helixtrans-62.7-41.6178.1-168.8177.3177.6-178.60112.4I39 I41 L46 S47I39-K43 WeakPolarHBondContact O-CB 3.37Å; I41-K43 PolarHBondContact O-N 2.86Å; K43-L46 PolarHBondContact O-N 3.38Å; K43-S47 PolarHBondContact O-N 2.64Å; K43-S47 PolarHBondContact O-OG 3.36Å
44E70Confident77.9Confident36 Ų3677.8 Ų77.817%0.16841%0.406CS..Hα-helixtrans-71.2-37177.8-74.8-167.5170.800112.9Y40 I41 M42 L46 S47 C48 F52Y40-E44 WeakPolarHBondContact O-CG 3.2Å; I41-E44 PolarHBondContact O-N 2.89Å; M42-E44 PolarHBondContact O-N 3.48Å; E44-L46 PolarHBondContact O-N 3.42Å; E44-S47 WeakPolarHBondContact CA-OG 3.35Å; E44-S47 PolarHBondContact O-N 2.8Å; E44-S47 PolarHBondContact O-OG 2.85Å; E44-C48 PolarHBondContact O-N 3.08Å; E44-F52 WeakPolarHBondContact OE2-CE2 3.36Å
45L65.4Low77.8Confident83 Ų8380 Ų8044%0.43542%0.419SS..Hα-helixtrans-59.4-34.3171.8-73.9171.4000112I41 M42 V57I41-L45 HydrophobicContact CG2-CD1 3.95Å; I41-L45 HydrophobicContact CG2-CG 4.48Å; I41-L45 WeakPolarHBondContact O-CB 3.34Å; I41-L45 VanDerWaalsContact O-CG 3.27Å; I41-L45 WeakPolarHBondContact O-CG 3.5Å; I41-L45 PolarHBondContact O-N 3.04Å; M42-L45 PolarHBondContact O-N 3.44Å; L45-V57 HydrophobicContact CD1-CG1 3.97Å; L45-V57 HydrophobicContact CD2-CG1 4.49Å; L45-V57 HydrophobicContact CD2-CG2 4.3Å
46L66.1Low77.7Confident132 Ų13275.7 Ų75.769%0.69140%0.399SS*.Hα-helixtrans-80.5-28.7177.4-67.9171000113.1M42 K43 E44M42-L46 HydrophobicContact CE-CD1 4.17Å; M42-L46 HydrophobicContact CE-CD2 4.21Å; M42-L46 HydrophobicContact CE-CG 4.18Å; M42-L46 HydrophobicContact CG-CD1 4.35Å; M42-L46 VanDerWaalsContact O-CG 3.27Å; M42-L46 WeakPolarHBondContact O-CG 3.44Å; M42-L46 PolarHBondContact O-N 3.37Å; M42-L46 VanDerWaalsContact O-N 3.1Å; K43-L46 PolarHBondContact O-N 3.38Å; E44-L46 PolarHBondContact O-N 3.42Å
47S66.6Low77.5Confident65 Ų6576.1 Ų76.146%0.45540%0.402SS..Hα-helixtrans-95.9-9.4-17765.30000115K43 E44 S49K43-S47 PolarHBondContact O-N 2.64Å; K43-S47 PolarHBondContact O-OG 3.36Å; E44-S47 WeakPolarHBondContact CA-OG 3.35Å; E44-S47 PolarHBondContact O-N 2.8Å; E44-S47 PolarHBondContact O-OG 2.85Å; S47-S49 PolarHBondContact O-N 2.9Å; S47-S49 PolarHBondContact OG-OG 3.07Å
48C58.4Low77.5Confident116 Ų11678.4 Ų78.478%0.78442%0.416SS*.THydrogen-bonded Turntrans54.722.3179.1-650000115.1E44E44-C48 PolarHBondContact O-N 3.08Å
49S56.3Low77.7Confident86 Ų8676.9 Ų76.960%0.60141%0.406SS*.SBendtrans-89.2-18.1-168.937.80000114.4S47S47-S49 PolarHBondContact O-N 2.9Å; S47-S49 PolarHBondContact OG-OG 3.07Å
50H56.8Low77.9Confident71 Ų7172.6 Ų72.633%0.32938%0.384SS..SBendtrans-158.6116.3170.5-154.367.4000109.3F52 S84H50-F52 PolarHBondContact O-N 2.78Å; H50-S84 PolarHBondContact NE2-OG 3.3Å
51P67.6Low78.3Confident121 Ų12174.3 Ų74.379%0.78639%0.393SS*.  trans-89.2100.5-177.231.6-28.4000109.8
52F83.7Confident78.8Confident21 Ų2176.7 Ų76.79%0.09241%0.409CS..  trans-53.9149153.6-68.7-65.4000109.5F13 E44 H50 K54 V57 Y77 E80 I81F13-F52 HydrophobicContact CD1-CE2 4.05Å; F13-F52 AromaticContact CD1-CZ 3.69Å; F13-F52 HydrophobicContact CD1-CZ 3.69Å; F13-F52 HydrophobicContact CE1-CE1 4.43Å; F13-F52 AromaticContact CE1-CE2 3.75Å; F13-F52 HydrophobicContact CE1-CE2 3.75Å; F13-F52 AromaticContact CE1-CZ 3.63Å; F13-F52 HydrophobicContact CE1-CZ 3.63Å; E44-F52 WeakPolarHBondContact OE2-CE2 3.36Å; H50-F52 PolarHBondContact O-N 2.78Å; F52-K54 PolarHBondContact O-N 3.4Å; F52-V57 HydrophobicContact CB-CG2 4.4Å; F52-Y77 HydrophobicContact CB-CD1 4.16Å; F52-Y77 HydrophobicContact CB-CE1 3.59Å; F52-Y77 AromaticContact CD1-CD1 3.56Å; F52-Y77 HydrophobicContact CD1-CD1 3.56Å; F52-Y77 AromaticContact CD1-CE1 3.87Å; F52-Y77 HydrophobicContact CD1-CE1 3.87Å; F52-Y77 AromaticContact CD2-CD1 3.94Å; F52-Y77 HydrophobicContact CD2-CD1 3.94Å; F52-Y77 AromaticContact CD2-CE1 3.59Å; F52-Y77 HydrophobicContact CD2-CE1 3.59Å; F52-Y77 AromaticContact CE1-CD1 3.85Å; F52-Y77 HydrophobicContact CE1-CD1 3.85Å; F52-Y77 HydrophobicContact CE1-CE1 4.45Å; F52-Y77 HydrophobicContact CE2-CD1 4.18Å; F52-Y77 HydrophobicContact CE2-CE1 4.19Å; F52-Y77 AromaticContact CG-CD1 3.62Å; F52-Y77 HydrophobicContact CG-CD1 3.62Å; F52-Y77 AromaticContact CG-CE1 3.41Å; F52-Y77 HydrophobicContact CG-CE1 3.41Å; F52-Y77 VanDerWaalsContact CG-CE1 3.41Å; F52-Y77 HydrophobicContact CZ-CD1 4.15Å; F52-E80 VanDerWaalsContact CA-OE2 3.26Å; F52-E80 WeakPolarHBondContact CA-OE2 3.41Å; F52-E80 HydrophobicContact CD1-CB 4.12Å; F52-E80 WeakPolarHBondContact CD1-OE2 3.47Å; F52-E80 HydrophobicContact CE1-CB 4.45Å; F52-I81 HydrophobicContact CE1-CG1 3.99Å; F52-I81 HydrophobicContact CZ-CG1 4.24Å
53S88.6Confident79.5Confident47 Ų4775.2 Ų75.233%0.32940%0.402SS..  trans-62.1143.4-176.480.50000110.7K55 A56 V57 E80S53-K55 PolarHBondContact O-N 2.89Å; S53-K55 VanDerWaalsContact O-N 3.08Å; S53-A56 PolarHBondContact O-N 3.35Å; S53-A56 PolarHBondContact OG-N 3.39Å; S53-A56 VanDerWaalsContact OG-N 3.16Å; S53-V57 PolarHBondContact O-N 3.26Å; S53-V57 VanDerWaalsContact O-N 3.14Å; S53-E80 WeakPolarHBondContact CB-OE1 3.34Å; S53-E80 PolarHBondContact N-OE1 3.38Å; S53-E80 PolarHBondContact N-OE2 2.83Å; S53-E80 PolarHBondContact OG-OE1 2.86Å
54K87.2Confident80.4Confident159 Ų15969.6 Ų69.669%0.69138%0.378SS*.Hα-helixtrans-53.3-33.6174.3-171.6178.1178.3-179.60111.6F52 V57 D58F52-K54 PolarHBondContact O-N 3.4Å; K54-V57 PolarHBondContact O-N 3.18Å; K54-D58 VanDerWaalsContact O-CB 3.28Å; K54-D58 WeakPolarHBondContact O-CB 3.27Å; K54-D58 PolarHBondContact O-N 3.47Å
55K90.4Very high81.5Confident175 Ų17572 Ų7276%0.76140%0.404SS*.Hα-helixtrans-63.3-43.7176.7-174-177.5176.5-174.10112.7S53 H59S53-K55 PolarHBondContact O-N 2.89Å; S53-K55 VanDerWaalsContact O-N 3.08Å; K55-H59 VanDerWaalsContact O-CB 3.29Å; K55-H59 WeakPolarHBondContact O-CB 3.5Å; K55-H59 PolarHBondContact O-N 3.01Å
56A91.4Very high83Confident1 Ų175.1 Ų75.11%0.00841%0.414CS..Hα-helixtrans-66.7-41.9177.300000111.5S53 H59 V60 P76 Y77 E80S53-A56 PolarHBondContact O-N 3.35Å; S53-A56 PolarHBondContact OG-N 3.39Å; S53-A56 VanDerWaalsContact OG-N 3.16Å; A56-H59 WeakPolarHBondContact O-CB 3.28Å; A56-H59 PolarHBondContact O-N 3.15Å; A56-V60 PolarHBondContact O-N 3.36Å; A56-V60 VanDerWaalsContact O-N 3.16Å; A56-P76 HydrophobicContact CB-CB 3.91Å; A56-Y77 HydrophobicContact CB-CD1 4.39Å; A56-Y77 HydrophobicContact CB-CE1 4.16Å; A56-E80 WeakPolarHBondContact CB-OE1 3.39Å
57V89.6Confident84.3Confident9 Ų975 Ų756%0.05541%0.408CS..Hα-helixtrans-61.4-52.8176.1178.50000111.3L45 F52 S53 K54 H59 V60 Q61 Y77L45-V57 HydrophobicContact CD1-CG1 3.97Å; L45-V57 HydrophobicContact CD2-CG1 4.49Å; L45-V57 HydrophobicContact CD2-CG2 4.3Å; F52-V57 HydrophobicContact CB-CG2 4.4Å; S53-V57 PolarHBondContact O-N 3.26Å; S53-V57 VanDerWaalsContact O-N 3.14Å; K54-V57 PolarHBondContact O-N 3.18Å; V57-H59 VanDerWaalsContact C-N 3.26Å; V57-H59 PolarHBondContact O-N 2.91Å; V57-V60 PolarHBondContact O-N 3.47Å; V57-Q61 HydrophobicContact CG1-CG 4.23Å; V57-Q61 WeakPolarHBondContact O-CB 3.08Å; V57-Q61 WeakPolarHBondContact O-CG 3.49Å; V57-Q61 PolarHBondContact O-N 3.42Å; V57-Y77 VanDerWaalsContact CA-OH 3.27Å; V57-Y77 WeakPolarHBondContact CA-OH 3.2Å; V57-Y77 WeakPolarHBondContact CG2-OH 3.31Å
58D90.8Very high85.5Confident73 Ų7376.9 Ų76.939%0.3941%0.411SS..Hα-helixtrans-61.7-36.3-179.7-68.6-12.3000111K54 S62K54-D58 VanDerWaalsContact O-CB 3.28Å; K54-D58 WeakPolarHBondContact O-CB 3.27Å; K54-D58 PolarHBondContact O-N 3.47Å; D58-S62 WeakPolarHBondContact O-CB 3.26Å; D58-S62 PolarHBondContact O-N 3.17Å; D58-S62 PolarHBondContact O-OG 3.2Å
59H93Very high87.2Confident67 Ų6771.5 Ų71.531%0.3138%0.375SS..Hα-helixtrans-59.4-54.1175.6178.583.4000111.6K55 A56 V57 S62 H63K55-H59 VanDerWaalsContact O-CB 3.29Å; K55-H59 WeakPolarHBondContact O-CB 3.5Å; K55-H59 PolarHBondContact O-N 3.01Å; A56-H59 WeakPolarHBondContact O-CB 3.28Å; A56-H59 PolarHBondContact O-N 3.15Å; V57-H59 VanDerWaalsContact C-N 3.26Å; V57-H59 PolarHBondContact O-N 2.91Å; H59-S62 PolarHBondContact O-OG 2.66Å; H59-H63 AromaticContact CE1-CE1 3.33Å; H59-H63 PolarHBondContact CE1-CE1 3.46Å; H59-H63 AromaticContact CE1-ND1 3.83Å; H59-H63 AromaticContact ND1-CE1 3.66Å; H59-H63 AromaticContact ND1-ND1 3.97Å; H59-H63 AromaticContact NE2-CE1 3.84Å; H59-H63 PolarHBondContact O-N 3.38Å; H59-H63 PolarHBondContact O-ND1 3.01Å
60V93.2Very high88.9Confident0 Ų069.5 Ų69.50%036%0.36CS..Hα-helixtrans-70.1-42.5-178171.50000111.7Y37 I41 A56 V57 S62 H63 L64 L73 F74 Y77Y37-V60 HydrophobicContact CD2-CG1 4.1Å; I41-V60 HydrophobicContact CD1-CG1 4.3Å; A56-V60 PolarHBondContact O-N 3.36Å; A56-V60 VanDerWaalsContact O-N 3.16Å; V57-V60 PolarHBondContact O-N 3.47Å; V60-S62 VanDerWaalsContact C-N 3.34Å; V60-S62 PolarHBondContact O-N 3.44Å; V60-H63 PolarHBondContact O-N 3.02Å; V60-L64 HydrophobicContact CG1-CD1 3.76Å; V60-L64 HydrophobicContact CG1-CG 4.12Å; V60-L64 WeakPolarHBondContact O-CB 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.36Å; V60-L64 PolarHBondContact O-N 3.29Å; V60-L73 HydrophobicContact CB-CD1 4.46Å; V60-L73 HydrophobicContact CG1-CD1 4.33Å; V60-L73 HydrophobicContact CG1-CG 4.36Å; V60-L73 HydrophobicContact CG2-CD1 4.16Å; V60-L73 HydrophobicContact CG2-CG 4.3Å; V60-L73 WeakPolarHBondContact CG2-O 3.24Å; V60-F74 HydrophobicContact CG1-CD1 4.26Å; V60-F74 HydrophobicContact CG1-CE1 3.78Å; V60-F74 HydrophobicContact CG2-CD1 4.09Å; V60-F74 HydrophobicContact CG2-CE1 4.44Å; V60-Y77 HydrophobicContact CB-CE2 3.95Å; V60-Y77 HydrophobicContact CG2-CD2 3.85Å; V60-Y77 HydrophobicContact CG2-CE2 3.45Å; V60-Y77 VanDerWaalsContact CG2-CE2 3.45Å
61Q91.3Very high90.4Very high77 Ų7768.5 Ų68.536%0.3636%0.36SS..Hα-helixtrans-57.7-45.1176.8-78.3-176.9-24.700112.2Y37 V57 H63 L64 A65Y37-Q61 HydrophobicContact CE2-CG 3.7Å; Y37-Q61 WeakPolarHBondContact OH-CG 3.41Å; Y37-Q61 PolarHBondContact OH-NE2 3.04Å; V57-Q61 HydrophobicContact CG1-CG 4.23Å; V57-Q61 WeakPolarHBondContact O-CB 3.08Å; V57-Q61 WeakPolarHBondContact O-CG 3.49Å; V57-Q61 PolarHBondContact O-N 3.42Å; Q61-H63 VanDerWaalsContact C-N 3.33Å; Q61-H63 PolarHBondContact O-N 3.1Å; Q61-L64 PolarHBondContact O-N 3.21Å; Q61-A65 WeakPolarHBondContact O-CB 3.13Å; Q61-A65 PolarHBondContact O-N 2.85Å
62S94.2Very high91.6Very high50 Ų5067 Ų6735%0.3535%0.348SS..Hα-helixtrans-65.9-34.2-179.163.80000113.1D58 H59 V60 K66D58-S62 WeakPolarHBondContact O-CB 3.26Å; D58-S62 PolarHBondContact O-N 3.17Å; D58-S62 PolarHBondContact O-OG 3.2Å; H59-S62 PolarHBondContact O-OG 2.66Å; V60-S62 VanDerWaalsContact C-N 3.34Å; V60-S62 PolarHBondContact O-N 3.44Å; S62-K66 WeakPolarHBondContact O-CG 3.31Å; S62-K66 PolarHBondContact O-N 3.09Å
63H94.9Very high92.1Very high45 Ų4566.1 Ų66.121%0.20834%0.344CS..Hα-helixtrans-72.5-45.3175.5-79.378.1000111.8H59 V60 Q61 A65 K66 K67 M68 L73H59-H63 AromaticContact CE1-CE1 3.33Å; H59-H63 PolarHBondContact CE1-CE1 3.46Å; H59-H63 AromaticContact CE1-ND1 3.83Å; H59-H63 AromaticContact ND1-CE1 3.66Å; H59-H63 AromaticContact ND1-ND1 3.97Å; H59-H63 AromaticContact NE2-CE1 3.84Å; H59-H63 PolarHBondContact O-N 3.38Å; H59-H63 PolarHBondContact O-ND1 3.01Å; V60-H63 PolarHBondContact O-N 3.02Å; Q61-H63 VanDerWaalsContact C-N 3.33Å; Q61-H63 PolarHBondContact O-N 3.1Å; H63-A65 VanDerWaalsContact C-N 3.32Å; H63-A65 PolarHBondContact O-N 2.56Å; H63-K66 CarbonylContact O-C 3.43Å; H63-K66 PolarHBondContact O-N 2.92Å; H63-K66 VanDerWaalsContact O-N 3.08Å; H63-K67 PolarHBondContact O-N 3.02Å; H63-K67 VanDerWaalsContact O-N 3.09Å; H63-M68 WeakPolarHBondContact CB-O 3.28Å; H63-M68 PolarHBondContact O-N 3.5Å; H63-L73 HydrophobicContact CB-CD1 3.41Å; H63-L73 VanDerWaalsContact CB-CD1 3.41Å
64L93.4Very high92.5Very high27 Ų2763.9 Ų63.914%0.14133%0.329CS..Hα-helixtrans-60.4-40.2175.6-71.5178.5000112.1S33 Y37 V60 Q61 K66 K67 V69 L73S33-L64 WeakPolarHBondContact OG-CD2 3.27Å; Y37-L64 HydrophobicContact CD2-CD1 3.7Å; Y37-L64 HydrophobicContact CE2-CD1 4.5Å; Y37-L64 HydrophobicContact CG-CD1 3.78Å; V60-L64 HydrophobicContact CG1-CD1 3.76Å; V60-L64 HydrophobicContact CG1-CG 4.12Å; V60-L64 WeakPolarHBondContact O-CB 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.36Å; V60-L64 PolarHBondContact O-N 3.29Å; Q61-L64 PolarHBondContact O-N 3.21Å; L64-K66 PolarHBondContact O-N 3.26Å; L64-K67 PolarHBondContact O-N 3Å; L64-V69 HydrophobicContact CD2-CG1 4.08Å; L64-L73 HydrophobicContact CD2-CD2 4.05Å; L64-L73 HydrophobicContact CG-CD2 4.49Å
65A93.3Very high92.8Very high86 Ų8660.3 Ų60.371%0.71131%0.314SS*.Hα-helixtrans-61.4-33.3175.900000112.5Q61 H63 K67Q61-A65 WeakPolarHBondContact O-CB 3.13Å; Q61-A65 PolarHBondContact O-N 2.85Å; H63-A65 VanDerWaalsContact C-N 3.32Å; H63-A65 PolarHBondContact O-N 2.56Å; A65-K67 VanDerWaalsContact C-N 3.33Å
66K95.5Very high92.9Very high150 Ų15053.8 Ų53.865%0.65229%0.29SS*.THydrogen-bonded Turntrans-87.10.6175.9-65.7174.2-174.8177.30113.5S62 H63 L64 M68S62-K66 WeakPolarHBondContact O-CG 3.31Å; S62-K66 PolarHBondContact O-N 3.09Å; H63-K66 CarbonylContact O-C 3.43Å; H63-K66 PolarHBondContact O-N 2.92Å; H63-K66 VanDerWaalsContact O-N 3.08Å; L64-K66 PolarHBondContact O-N 3.26Å; K66-M68 HydrophobicContact CB-CG 4Å; K66-M68 HydrophobicContact CB-SD 4.31Å; K66-M68 HydrophobicContact CD-SD 4.37Å; K66-M68 PolarHBondContact O-N 3.48Å
67K93.4Very high93Very high130 Ų13053.7 Ų53.757%0.56529%0.29SS*.THydrogen-bonded Turntrans54.626.4-170.3-56.5-177.8178.4-178.40113.6L30 H63 L64 A65L30-K67 HydrophobicContact CD1-CB 4.16Å; L30-K67 HydrophobicContact CD1-CG 4.45Å; H63-K67 PolarHBondContact O-N 3.02Å; H63-K67 VanDerWaalsContact O-N 3.09Å; L64-K67 PolarHBondContact O-N 3Å; A65-K67 VanDerWaalsContact C-N 3.33Å
68M93.3Very high93.2Very high103 Ų10353.9 Ų53.951%0.50729%0.29SS..  trans-91.3109.6175.9-68.7-176.368.500109H63 K66 P70H63-M68 WeakPolarHBondContact CB-O 3.28Å; H63-M68 PolarHBondContact O-N 3.5Å; K66-M68 HydrophobicContact CB-CG 4Å; K66-M68 HydrophobicContact CB-SD 4.31Å; K66-M68 HydrophobicContact CD-SD 4.37Å; K66-M68 PolarHBondContact O-N 3.48Å; M68-P70 VanDerWaalsContact C-CD 3.41Å; M68-P70 VanDerWaalsContact O-CD 3.31Å; M68-P70 WeakPolarHBondContact O-CD 3.48Å
69V94.1Very high93.2Very high4 Ų454 Ų542%0.02429%0.293CS..  trans-123.566.4-173.6-67.80000111.7Y20 E26 R29 L30 S33 L64 L73Y20-V69 VanDerWaalsContact OH-C 3.29Å; Y20-V69 WeakPolarHBondContact OH-CB 3.38Å; Y20-V69 PolarHBondContact OH-O 3.17Å; E26-V69 HydrophobicContact CG-CG2 3.72Å; R29-V69 HydrophobicContact CB-CB 4.17Å; R29-V69 HydrophobicContact CB-CG2 3.85Å; R29-V69 WeakPolarHBondContact CD-O 3.44Å; R29-V69 PolarHBondContact NE-O 3.25Å; L30-V69 HydrophobicContact CB-CG2 4.11Å; L30-V69 HydrophobicContact CD1-CG1 3.78Å; L30-V69 HydrophobicContact CD1-CG2 4.39Å; S33-V69 WeakPolarHBondContact OG-CG1 3.35Å; L64-V69 HydrophobicContact CD2-CG1 4.08Å; V69-L73 HydrophobicContact CG1-CD2 4.21Å
70P91.8Very high93.2Very high44 Ų4453.1 Ų53.129%0.28629%0.289SS..  trans-64.8155.2174.330.4-35000110.2Y20 M68 T72 L73Y20-P70 WeakPolarHBondContact CE1-O 3.11Å; Y20-P70 PolarHBondContact OH-O 3.33Å; M68-P70 VanDerWaalsContact C-CD 3.41Å; M68-P70 VanDerWaalsContact O-CD 3.31Å; M68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-T72 PolarHBondContact O-N 3.5Å; P70-T72 VanDerWaalsContact O-N 3.08Å; P70-L73 HydrophobicContact CG-CB 4.33Å; P70-L73 VanDerWaalsContact O-CB 3.25Å; P70-L73 WeakPolarHBondContact O-CB 3.44Å; P70-L73 PolarHBondContact O-N 2.82Å
71P88.7Confident93Very high50 Ų5053.1 Ų53.133%0.32529%0.289SS..THydrogen-bonded Turntrans-54.8-28.1174.5-26.635.2000113.2Y20 E21 L73Y20-P71 WeakPolarHBondContact CE1-O 3.46Å; E21-P71 WeakPolarHBondContact CG-O 3.23Å; P71-L73 VanDerWaalsContact C-N 3.33Å; P71-L73 PolarHBondContact O-N 2.95Å
72T92Very high93Very high90 Ų9051.4 Ų51.455%0.55229%0.285SS*.THydrogen-bonded Turntrans-87.17.7-179.554.90000114.5P70 F74 Q75P70-T72 PolarHBondContact O-N 3.5Å; P70-T72 VanDerWaalsContact O-N 3.08Å; T72-F74 PolarHBondContact O-N 3.26Å; T72-F74 VanDerWaalsContact O-N 3.14Å; T72-Q75 VanDerWaalsContact O-CB 3.22Å; T72-Q75 WeakPolarHBondContact O-CB 3.4Å; T72-Q75 PolarHBondContact O-N 3.09Å
73L94.8Very high92.8Very high1 Ų153.6 Ų53.61%0.00529%0.293CS..THydrogen-bonded Turntrans-49.6-42.8-175.717560.9000113.3Y20 V60 H63 L64 V69 P70 P71Y20-L73 HydrophobicContact CE1-CB 4.04Å; V60-L73 HydrophobicContact CB-CD1 4.46Å; V60-L73 HydrophobicContact CG1-CD1 4.33Å; V60-L73 HydrophobicContact CG1-CG 4.36Å; V60-L73 HydrophobicContact CG2-CD1 4.16Å; V60-L73 HydrophobicContact CG2-CG 4.3Å; V60-L73 WeakPolarHBondContact CG2-O 3.24Å; H63-L73 HydrophobicContact CB-CD1 3.41Å; H63-L73 VanDerWaalsContact CB-CD1 3.41Å; L64-L73 HydrophobicContact CD2-CD2 4.05Å; L64-L73 HydrophobicContact CG-CD2 4.49Å; V69-L73 HydrophobicContact CG1-CD2 4.21Å; P70-L73 HydrophobicContact CG-CB 4.33Å; P70-L73 VanDerWaalsContact O-CB 3.25Å; P70-L73 WeakPolarHBondContact O-CB 3.44Å; P70-L73 PolarHBondContact O-N 2.82Å; P71-L73 VanDerWaalsContact C-N 3.33Å; P71-L73 PolarHBondContact O-N 2.95Å
74F95.6Very high92.4Very high0 Ų053.1 Ų53.10%030%0.295CS..THydrogen-bonded Turntrans-94.311-176.3-59.6-78.3000113.8I17 Y20 I36 I41 V60 T72 P76 Y77 I78I17-F74 HydrophobicContact CB-CB 4.33Å; I17-F74 HydrophobicContact CD1-CB 3.79Å; I17-F74 HydrophobicContact CD1-CG 4.47Å; I17-F74 HydrophobicContact CG1-CB 3.69Å; I17-F74 HydrophobicContact CG1-CD2 4.39Å; I17-F74 HydrophobicContact CG1-CG 4.03Å; I17-F74 HydrophobicContact CG2-CB 3.67Å; I17-F74 HydrophobicContact CG2-CG 4.48Å; Y20-F74 AromaticContact CD1-CD2 3.68Å; Y20-F74 HydrophobicContact CD1-CD2 3.68Å; Y20-F74 AromaticContact CD1-CE2 3.93Å; Y20-F74 HydrophobicContact CD1-CE2 3.93Å; Y20-F74 HydrophobicContact CD2-CE2 4.04Å; Y20-F74 AromaticContact CE1-CD2 3.82Å; Y20-F74 HydrophobicContact CE1-CD2 3.82Å; Y20-F74 AromaticContact CE1-CE2 3.97Å; Y20-F74 HydrophobicContact CE1-CE2 3.97Å; Y20-F74 HydrophobicContact CE2-CE2 4.07Å; Y20-F74 HydrophobicContact CG-CD2 4.1Å; Y20-F74 AromaticContact CG-CE2 3.96Å; Y20-F74 HydrophobicContact CG-CE2 3.96Å; I36-F74 HydrophobicContact CB-CE1 4.49Å; I36-F74 HydrophobicContact CB-CZ 4.01Å; I36-F74 HydrophobicContact CD1-CE2 4.2Å; I36-F74 HydrophobicContact CG2-CD1 4.35Å; I36-F74 HydrophobicContact CG2-CE1 3.76Å; I36-F74 HydrophobicContact CG2-CE2 4.25Å; I36-F74 HydrophobicContact CG2-CZ 3.71Å; I41-F74 HydrophobicContact CD1-CD1 4.33Å; I41-F74 HydrophobicContact CD1-CE1 3.98Å; V60-F74 HydrophobicContact CG1-CD1 4.26Å; V60-F74 HydrophobicContact CG1-CE1 3.78Å; V60-F74 HydrophobicContact CG2-CD1 4.09Å; V60-F74 HydrophobicContact CG2-CE1 4.44Å; T72-F74 PolarHBondContact O-N 3.26Å; T72-F74 VanDerWaalsContact O-N 3.14Å; F74-P76 VanDerWaalsContact C-CD 3.43Å; F74-P76 VanDerWaalsContact C-N 3.33Å; F74-Y77 HydrophobicContact CB-CD2 4.49Å; F74-Y77 AromaticContact CD1-CD2 3.98Å; F74-Y77 HydrophobicContact CD1-CD2 3.98Å; F74-Y77 HydrophobicContact CD1-CE2 4.42Å; F74-Y77 WeakPolarHBondContact O-CA 3.42Å; F74-Y77 WeakPolarHBondContact O-CB 3.39Å; F74-Y77 PolarHBondContact O-N 2.94Å; F74-I78 PolarHBondContact O-N 3Å; F74-I78 VanDerWaalsContact O-N 3.13Å
75Q93.7Very high92.2Very high84 Ų8453.6 Ų53.639%0.39330%0.297SS..Hα-helixtrans-55.4-38.3-178.9-171.463.517.400114T72 Y77 I78 V79T72-Q75 VanDerWaalsContact O-CB 3.22Å; T72-Q75 WeakPolarHBondContact O-CB 3.4Å; T72-Q75 PolarHBondContact O-N 3.09Å; Q75-Y77 VanDerWaalsContact C-N 3.27Å; Q75-Y77 PolarHBondContact O-N 3.46Å; Q75-I78 PolarHBondContact O-N 3.35Å; Q75-V79 PolarHBondContact O-N 3.49Å
76P93.8Very high92Very high38 Ų3858.5 Ų58.525%0.24730%0.297CS..Hα-helixtrans-59.5-36.7173.5-25.536.5000113.3A56 F74 V79 E80A56-P76 HydrophobicContact CB-CB 3.91Å; F74-P76 VanDerWaalsContact C-CD 3.43Å; F74-P76 VanDerWaalsContact C-N 3.33Å; P76-V79 PolarHBondContact O-N 3.33Å; P76-E80 PolarHBondContact O-N 3.48Å
77Y92.8Very high91.6Very high0 Ų053.2 Ų53.20%029%0.286CS..Hα-helixtrans-69.9-37.4176.7-73.4-72.5000112.3F13 I41 F52 A56 V57 V60 F74 Q75 V79 E80 I81F13-Y77 AromaticContact CE1-CD1 3.83Å; F13-Y77 HydrophobicContact CE1-CD1 3.83Å; F13-Y77 HydrophobicContact CE1-CE1 4.44Å; F13-Y77 AromaticContact CE1-CG 3.99Å; F13-Y77 HydrophobicContact CE1-CG 3.99Å; F13-Y77 HydrophobicContact CZ-CD1 4.15Å; F13-Y77 HydrophobicContact CZ-CD2 4.3Å; F13-Y77 AromaticContact CZ-CG 3.94Å; F13-Y77 HydrophobicContact CZ-CG 3.94Å; I41-Y77 HydrophobicContact CD1-CD2 4.18Å; I41-Y77 HydrophobicContact CD1-CE1 4.32Å; I41-Y77 HydrophobicContact CD1-CE2 3.42Å; I41-Y77 VanDerWaalsContact CD1-CE2 3.42Å; I41-Y77 WeakPolarHBondContact CD1-OH 3.37Å; I41-Y77 HydrophobicContact CG1-CE1 4.21Å; I41-Y77 HydrophobicContact CG1-CE2 4.19Å; I41-Y77 VanDerWaalsContact CG2-OH 3.28Å; I41-Y77 WeakPolarHBondContact CG2-OH 3.28Å; F52-Y77 HydrophobicContact CB-CD1 4.16Å; F52-Y77 HydrophobicContact CB-CE1 3.59Å; F52-Y77 AromaticContact CD1-CD1 3.56Å; F52-Y77 HydrophobicContact CD1-CD1 3.56Å; F52-Y77 AromaticContact CD1-CE1 3.87Å; F52-Y77 HydrophobicContact CD1-CE1 3.87Å; F52-Y77 AromaticContact CD2-CD1 3.94Å; F52-Y77 HydrophobicContact CD2-CD1 3.94Å; F52-Y77 AromaticContact CD2-CE1 3.59Å; F52-Y77 HydrophobicContact CD2-CE1 3.59Å; F52-Y77 AromaticContact CE1-CD1 3.85Å; F52-Y77 HydrophobicContact CE1-CD1 3.85Å; F52-Y77 HydrophobicContact CE1-CE1 4.45Å; F52-Y77 HydrophobicContact CE2-CD1 4.18Å; F52-Y77 HydrophobicContact CE2-CE1 4.19Å; F52-Y77 AromaticContact CG-CD1 3.62Å; F52-Y77 HydrophobicContact CG-CD1 3.62Å; F52-Y77 AromaticContact CG-CE1 3.41Å; F52-Y77 HydrophobicContact CG-CE1 3.41Å; F52-Y77 VanDerWaalsContact CG-CE1 3.41Å; F52-Y77 HydrophobicContact CZ-CD1 4.15Å; A56-Y77 HydrophobicContact CB-CD1 4.39Å; A56-Y77 HydrophobicContact CB-CE1 4.16Å; V57-Y77 VanDerWaalsContact CA-OH 3.27Å; V57-Y77 WeakPolarHBondContact CA-OH 3.2Å; V57-Y77 WeakPolarHBondContact CG2-OH 3.31Å; V60-Y77 HydrophobicContact CB-CE2 3.95Å; V60-Y77 HydrophobicContact CG2-CD2 3.85Å; V60-Y77 HydrophobicContact CG2-CE2 3.45Å; V60-Y77 VanDerWaalsContact CG2-CE2 3.45Å; F74-Y77 HydrophobicContact CB-CD2 4.49Å; F74-Y77 AromaticContact CD1-CD2 3.98Å; F74-Y77 HydrophobicContact CD1-CD2 3.98Å; F74-Y77 HydrophobicContact CD1-CE2 4.42Å; F74-Y77 WeakPolarHBondContact O-CA 3.42Å; F74-Y77 WeakPolarHBondContact O-CB 3.39Å; F74-Y77 PolarHBondContact O-N 2.94Å; Q75-Y77 VanDerWaalsContact C-N 3.27Å; Q75-Y77 PolarHBondContact O-N 3.46Å; Y77-V79 VanDerWaalsContact C-N 3.28Å; Y77-V79 PolarHBondContact O-N 3.17Å; Y77-E80 PolarHBondContact O-N 2.75Å; Y77-I81 WeakPolarHBondContact O-CB 3.22Å; Y77-I81 WeakPolarHBondContact O-CD1 3.15Å; Y77-I81 WeakPolarHBondContact O-CG1 3.19Å; Y77-I81 PolarHBondContact O-N 3.48Å
78I93Very high91.3Very high12 Ų1253.6 Ų53.66%0.06229%0.294CS..Hα-helixtrans-56.6-45174.2-67.5-67.9000110.9Y14 I17 F74 Q75 I81 C82Y14-I78 HydrophobicContact CD2-CD1 3.36Å; Y14-I78 HydrophobicContact CD2-CG2 4.45Å; Y14-I78 HydrophobicContact CE2-CD1 3.64Å; Y14-I78 HydrophobicContact CE2-CG2 4.05Å; Y14-I78 HydrophobicContact CG-CD1 4.16Å; I17-I78 HydrophobicContact CB-CD1 3.91Å; I17-I78 HydrophobicContact CD1-CD1 3.83Å; I17-I78 HydrophobicContact CD1-CG1 4.19Å; I17-I78 HydrophobicContact CG2-CD1 3.64Å; I17-I78 HydrophobicContact CG2-CG1 3.8Å; F74-I78 PolarHBondContact O-N 3Å; F74-I78 VanDerWaalsContact O-N 3.13Å; Q75-I78 PolarHBondContact O-N 3.35Å; I78-I81 PolarHBondContact O-N 3.29Å; I78-C82 WeakPolarHBondContact O-CB 3.41Å; I78-C82 PolarHBondContact O-N 3.07Å; I78-C82 PolarHBondContact O-SG 3.5Å
79V92.3Very high91.1Very high76 Ų7650.9 Ų50.946%0.46128%0.281SS..Hα-helixtrans-60.1-50.8178.51770000110.7Q75 P76 Y77 I81 C82 D83Q75-V79 PolarHBondContact O-N 3.49Å; P76-V79 PolarHBondContact O-N 3.33Å; Y77-V79 VanDerWaalsContact C-N 3.28Å; Y77-V79 PolarHBondContact O-N 3.17Å; V79-I81 PolarHBondContact O-N 3.35Å; V79-C82 PolarHBondContact O-N 3.45Å; V79-D83 PolarHBondContact O-N 2.94Å
80E91.3Very high90.9Very high49 Ų4955.8 Ų55.823%0.22930%0.302CS..Hα-helixtrans-66.2-38.5-178.6-67.7-175.3-157.100113F52 S53 A56 P76 Y77 D83 S84F52-E80 VanDerWaalsContact CA-OE2 3.26Å; F52-E80 WeakPolarHBondContact CA-OE2 3.41Å; F52-E80 HydrophobicContact CD1-CB 4.12Å; F52-E80 WeakPolarHBondContact CD1-OE2 3.47Å; F52-E80 HydrophobicContact CE1-CB 4.45Å; S53-E80 WeakPolarHBondContact CB-OE1 3.34Å; S53-E80 PolarHBondContact N-OE1 3.38Å; S53-E80 PolarHBondContact N-OE2 2.83Å; S53-E80 PolarHBondContact OG-OE1 2.86Å; A56-E80 WeakPolarHBondContact CB-OE1 3.39Å; P76-E80 PolarHBondContact O-N 3.48Å; Y77-E80 PolarHBondContact O-N 2.75Å; E80-D83 PolarHBondContact O-N 3.45Å; E80-S84 WeakPolarHBondContact O-CB 3.38Å; E80-S84 PolarHBondContact O-N 3.12Å
81I89.8Confident91Very high0 Ų058.1 Ų58.10%031%0.309CS..Hα-helixtrans-60.2-50173.1-71.3163.2000110Q10 F13 Y14 I17 F52 Y77 I78 V79 D83 S84 L85Q10-I81 HydrophobicContact CB-CG1 4.45Å; Q10-I81 HydrophobicContact CB-CG2 3.94Å; F13-I81 HydrophobicContact CB-CD1 4.21Å; F13-I81 HydrophobicContact CD1-CD1 3.59Å; F13-I81 HydrophobicContact CD1-CG1 4.35Å; F13-I81 HydrophobicContact CE1-CD1 4.11Å; F13-I81 HydrophobicContact CG-CD1 4Å; Y14-I81 HydrophobicContact CD2-CG2 4.42Å; I17-I81 HydrophobicContact CD1-CD1 4.04Å; F52-I81 HydrophobicContact CE1-CG1 3.99Å; F52-I81 HydrophobicContact CZ-CG1 4.24Å; Y77-I81 WeakPolarHBondContact O-CB 3.22Å; Y77-I81 WeakPolarHBondContact O-CD1 3.15Å; Y77-I81 WeakPolarHBondContact O-CG1 3.19Å; Y77-I81 PolarHBondContact O-N 3.48Å; I78-I81 PolarHBondContact O-N 3.29Å; V79-I81 PolarHBondContact O-N 3.35Å; I81-D83 VanDerWaalsContact C-N 3.3Å; I81-D83 PolarHBondContact O-N 3Å; I81-S84 WeakPolarHBondContact O-CB 3.43Å; I81-S84 PolarHBondContact O-N 3.39Å; I81-L85 HydrophobicContact CG2-CD1 3.89Å; I81-L85 HydrophobicContact CG2-CG 4.34Å; I81-L85 VanDerWaalsContact O-CG 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 3.04Å
82C91.2Very high91.1Very high40 Ų4059.5 Ų59.527%0.2731%0.31SS..Hα-helixtrans-60.6-40.2179.5-73.70000111.9I78 V79 S84 L85 R86I78-C82 WeakPolarHBondContact O-CB 3.41Å; I78-C82 PolarHBondContact O-N 3.07Å; I78-C82 PolarHBondContact O-SG 3.5Å; V79-C82 PolarHBondContact O-N 3.45Å; C82-S84 VanDerWaalsContact C-N 3.34Å; C82-L85 PolarHBondContact O-N 3.02Å; C82-R86 VanDerWaalsContact O-CG 3.32Å; C82-R86 WeakPolarHBondContact O-CG 3.45Å; C82-R86 PolarHBondContact O-N 3.3Å; C82-R86 VanDerWaalsContact O-N 3.13Å
83D89.9Confident91.1Very high97 Ų9757.8 Ų57.852%0.51930%0.295SS..Hα-helixtrans-64.1-40.1176.8-72.2-17.5000111.8V79 E80 I81 L85 R86V79-D83 PolarHBondContact O-N 2.94Å; E80-D83 PolarHBondContact O-N 3.45Å; I81-D83 VanDerWaalsContact C-N 3.3Å; I81-D83 PolarHBondContact O-N 3Å; D83-L85 VanDerWaalsContact C-N 3.35Å; D83-L85 PolarHBondContact O-N 3.32Å; D83-R86 PolarHBondContact O-N 2.92Å; D83-R86 IonicContact OD1-NE 3.97Å
84S87.1Confident91Very high34 Ų3460 Ų6024%0.23831%0.307CS..Hα-helixtrans-62-40.9173.9-169.30000112.2H50 E80 I81 C82H50-S84 PolarHBondContact NE2-OG 3.3Å; E80-S84 WeakPolarHBondContact O-CB 3.38Å; E80-S84 PolarHBondContact O-N 3.12Å; I81-S84 WeakPolarHBondContact O-CB 3.43Å; I81-S84 PolarHBondContact O-N 3.39Å; C82-S84 VanDerWaalsContact C-N 3.34Å
85L88.4Confident90.9Very high38 Ų3866.8 Ų66.820%0.19934%0.338CS..Iπ-helixtrans-69.1-32.4-179.8-67.7173.5000113.5V8 I81 C82 D83 G87 I89 F90V8-L85 HydrophobicContact CG1-CD2 3.75Å; I81-L85 HydrophobicContact CG2-CD1 3.89Å; I81-L85 HydrophobicContact CG2-CG 4.34Å; I81-L85 VanDerWaalsContact O-CG 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 3.04Å; C82-L85 PolarHBondContact O-N 3.02Å; D83-L85 VanDerWaalsContact C-N 3.35Å; D83-L85 PolarHBondContact O-N 3.32Å; L85-G87 PolarHBondContact O-N 3.46Å; L85-I89 HydrophobicContact CD2-CD1 4.03Å; L85-I89 HydrophobicContact CD2-CG2 3.9Å; L85-F90 VanDerWaalsContact O-CB 3.3Å; L85-F90 WeakPolarHBondContact O-CB 3.38Å; L85-F90 PolarHBondContact O-N 2.7Å
86R89.6Confident90.8Very high188 Ų18863.7 Ų63.771%0.70933%0.326SS*.Iπ-helixtrans-63.4-20.9-175-78170.5-168-109.42.7115.1C82 D83C82-R86 VanDerWaalsContact O-CG 3.32Å; C82-R86 WeakPolarHBondContact O-CG 3.45Å; C82-R86 PolarHBondContact O-N 3.3Å; C82-R86 VanDerWaalsContact O-N 3.13Å; D83-R86 PolarHBondContact O-N 2.92Å; D83-R86 IonicContact OD1-NE 3.97Å
87G86.4Confident90.6Very high40 Ų4065.4 Ų65.441%0.41233%0.333SS..Iπ-helixtrans-87.2-126.7-175.900000113.6L85 I89 F90 Q91L85-G87 PolarHBondContact O-N 3.46Å; G87-I89 PolarHBondContact O-N 3.24Å; G87-I89 VanDerWaalsContact O-N 3.12Å; G87-F90 PolarHBondContact O-N 3.08Å; G87-F90 VanDerWaalsContact O-N 3.13Å; G87-Q91 PolarHBondContact O-N 3.13Å; G87-Q91 VanDerWaalsContact O-N 3.14Å
88N87.7Confident90.6Very high138 Ų13868.6 Ų68.674%0.73835%0.347SS*.Iπ-helixtrans-56.2-31-176.4-68.6-11.7000113.4Q91 K92N88-Q91 PolarHBondContact O-N 3.28Å; N88-K92 WeakPolarHBondContact O-CG 3.48Å; N88-K92 PolarHBondContact O-N 2.72Å
89I88.5Confident90.7Very high45 Ų4570.6 Ų70.623%0.23136%0.355CS..Iπ-helixtrans-66.1-47.4179.5-61.7169.3000110.3V8 L85 G87 Q91 K92 F93V8-I89 HydrophobicContact CG1-CD1 4.26Å; V8-I89 HydrophobicContact CG1-CG2 4.37Å; V8-I89 HydrophobicContact CG2-CG2 4.33Å; L85-I89 HydrophobicContact CD2-CD1 4.03Å; L85-I89 HydrophobicContact CD2-CG2 3.9Å; G87-I89 PolarHBondContact O-N 3.24Å; G87-I89 VanDerWaalsContact O-N 3.12Å; I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 3.02Å; I89-K92 PolarHBondContact O-N 2.7Å; I89-F93 PolarHBondContact O-N 2.91Å
90F90.9Very high90.9Very high107 Ų10770.4 Ų70.447%0.46936%0.355SS..Hα-helixtrans-62.6-39.8174.8-175.1-110000111.8L85 G87 K92 F93 I94L85-F90 VanDerWaalsContact O-CB 3.3Å; L85-F90 WeakPolarHBondContact O-CB 3.38Å; L85-F90 PolarHBondContact O-N 2.7Å; G87-F90 PolarHBondContact O-N 3.08Å; G87-F90 VanDerWaalsContact O-N 3.13Å; F90-K92 PolarHBondContact O-N 2.95Å; F90-F93 AromaticContact CD2-CD1 3.98Å; F90-F93 HydrophobicContact CD2-CD1 3.98Å; F90-F93 AromaticContact CE2-CD1 3.87Å; F90-F93 HydrophobicContact CE2-CD1 3.87Å; F90-F93 HydrophobicContact CE2-CE1 4.19Å; F90-F93 WeakPolarHBondContact O-CA 3.31Å; F90-F93 WeakPolarHBondContact O-CB 3.34Å; F90-F93 PolarHBondContact O-N 3.43Å; F90-F93 VanDerWaalsContact O-N 3.09Å; F90-I94 HydrophobicContact CD1-CG1 4.1Å; F90-I94 HydrophobicContact CE1-CD1 3.88Å; F90-I94 HydrophobicContact CE1-CG1 3.77Å; F90-I94 HydrophobicContact CE2-CD1 4.2Å; F90-I94 HydrophobicContact CZ-CD1 3.64Å; F90-I94 HydrophobicContact CZ-CG1 4Å; F90-I94 WeakPolarHBondContact O-CG1 3.43Å; F90-I94 PolarHBondContact O-N 2.82Å
91Q92.9Very high91.1Very high93 Ų9369.1 Ų69.144%0.43535%0.347SS..Hα-helixtrans-61.1-45176.1-173.25932.200112.1G87 N88 I89 F93 I94 E95G87-Q91 PolarHBondContact O-N 3.13Å; G87-Q91 VanDerWaalsContact O-N 3.14Å; N88-Q91 PolarHBondContact O-N 3.28Å; I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 3.02Å; Q91-F93 VanDerWaalsContact C-N 3.26Å; Q91-F93 PolarHBondContact O-N 2.93Å; Q91-I94 PolarHBondContact O-N 2.95Å; Q91-I94 VanDerWaalsContact O-N 3.17Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.4Å; Q91-E95 PolarHBondContact NE2-OE1 3.21Å; Q91-E95 WeakPolarHBondContact O-CG 3.47Å; Q91-E95 PolarHBondContact O-N 2.99Å
92K91.6Very high91.5Very high80 Ų8073.3 Ų73.335%0.34837%0.366SS..Hα-helixtrans-60-35.7172.8-73.3-175.9-179.5-170.50112.1I4 E6 N88 I89 F90 E95 S96I4-K92 HydrophobicContact CG2-CD 4.24Å; E6-K92 IonicContact OE1-NZ 3.92Å; E6-K92 PolarHBondContact OE1-NZ 3.24Å; E6-K92 IonicContact OE2-NZ 3.36Å; E6-K92 PolarHBondContact OE2-NZ 3.39Å; N88-K92 WeakPolarHBondContact O-CG 3.48Å; N88-K92 PolarHBondContact O-N 2.72Å; I89-K92 PolarHBondContact O-N 2.7Å; F90-K92 PolarHBondContact O-N 2.95Å; K92-E95 PolarHBondContact O-N 3.34Å; K92-S96 PolarHBondContact O-N 3.48Å
93F91Very high91.8Very high53 Ų5374.2 Ų74.223%0.23237%0.372CS..Hα-helixtrans-64.5-46.7173.4164.6-104.6000111.9I89 F90 Q91 E95 S96 K98 F99I89-F93 PolarHBondContact O-N 2.91Å; F90-F93 AromaticContact CD2-CD1 3.98Å; F90-F93 HydrophobicContact CD2-CD1 3.98Å; F90-F93 AromaticContact CE2-CD1 3.87Å; F90-F93 HydrophobicContact CE2-CD1 3.87Å; F90-F93 HydrophobicContact CE2-CE1 4.19Å; F90-F93 WeakPolarHBondContact O-CA 3.31Å; F90-F93 WeakPolarHBondContact O-CB 3.34Å; F90-F93 PolarHBondContact O-N 3.43Å; F90-F93 VanDerWaalsContact O-N 3.09Å; Q91-F93 VanDerWaalsContact C-N 3.26Å; Q91-F93 PolarHBondContact O-N 2.93Å; F93-E95 PolarHBondContact O-N 3.32Å; F93-S96 WeakPolarHBondContact O-CB 3.35Å; F93-S96 PolarHBondContact O-N 2.92Å; F93-S96 PolarHBondContact O-OG 2.75Å; F93-K98 HydrophobicContact CD2-CB 4.2Å; F93-K98 HydrophobicContact CE2-CB 3.88Å; F93-F99 HydrophobicContact CD1-CD2 4.36Å; F93-F99 HydrophobicContact CE1-CB 4.23Å; F93-F99 AromaticContact CE1-CD2 3.62Å; F93-F99 HydrophobicContact CE1-CD2 3.62Å; F93-F99 HydrophobicContact CE1-CE2 4.47Å; F93-F99 HydrophobicContact CE1-CG 4.36Å; F93-F99 HydrophobicContact CE2-CB 4.39Å; F93-F99 HydrophobicContact CZ-CB 4.15Å; F93-F99 AromaticContact CZ-CD2 3.97Å; F93-F99 HydrophobicContact CZ-CD2 3.97Å; F93-F99 WeakPolarHBondContact O-CB 3.48Å
94I94.4Very high92.1Very high49 Ų4972.8 Ų72.825%0.25136%0.362SS..Hα-helixtrans-57.6-37177.2-66-60.7000111.8F90 Q91 S96 F99F90-I94 HydrophobicContact CD1-CG1 4.1Å; F90-I94 HydrophobicContact CE1-CD1 3.88Å; F90-I94 HydrophobicContact CE1-CG1 3.77Å; F90-I94 HydrophobicContact CE2-CD1 4.2Å; F90-I94 HydrophobicContact CZ-CD1 3.64Å; F90-I94 HydrophobicContact CZ-CG1 4Å; F90-I94 WeakPolarHBondContact O-CG1 3.43Å; F90-I94 PolarHBondContact O-N 2.82Å; Q91-I94 PolarHBondContact O-N 2.95Å; Q91-I94 VanDerWaalsContact O-N 3.17Å; I94-S96 VanDerWaalsContact C-N 3.28Å; I94-S96 PolarHBondContact O-N 2.9Å; I94-F99 HydrophobicContact CB-CD1 4.49Å; I94-F99 HydrophobicContact CD1-CD1 4.05Å; I94-F99 HydrophobicContact CD1-CD2 3.5Å; I94-F99 HydrophobicContact CD1-CE1 3.93Å; I94-F99 HydrophobicContact CD1-CE2 3.36Å; I94-F99 HydrophobicContact CD1-CG 3.84Å; I94-F99 HydrophobicContact CD1-CZ 3.59Å; I94-F99 HydrophobicContact CG2-CD1 4.11Å; I94-F99 HydrophobicContact CG2-CE1 4.16Å; I94-F99 WeakPolarHBondContact O-CD1 3.27Å
95E92.5Very high92.7Very high141 Ų14172.9 Ų72.966%0.65936%0.357SS*.THydrogen-bonded Turntrans-78-9.5178.7-69.9167.1-167.900113.7Q91 K92 F93Q91-E95 WeakPolarHBondContact CG-OE1 3.4Å; Q91-E95 PolarHBondContact NE2-OE1 3.21Å; Q91-E95 WeakPolarHBondContact O-CG 3.47Å; Q91-E95 PolarHBondContact O-N 2.99Å; K92-E95 PolarHBondContact O-N 3.34Å; F93-E95 PolarHBondContact O-N 3.32Å
96S91.1Very high93.1Very high20 Ų2073.6 Ų73.614%0.1436%0.359CS..SBendtrans-91.2159.2-175.5780000113.9K92 F93 I94 K98 F99 T100K92-S96 PolarHBondContact O-N 3.48Å; F93-S96 WeakPolarHBondContact O-CB 3.35Å; F93-S96 PolarHBondContact O-N 2.92Å; F93-S96 PolarHBondContact O-OG 2.75Å; I94-S96 VanDerWaalsContact C-N 3.28Å; I94-S96 PolarHBondContact O-N 2.9Å; S96-K98 PolarHBondContact O-N 2.81Å; S96-K98 PolarHBondContact OG-N 3.47Å; S96-F99 PolarHBondContact O-N 3Å; S96-T100 PolarHBondContact O-N 3.24Å
97D91.1Very high93.5Very high74 Ų7467.2 Ų67.240%0.39634%0.339SS..Hα-helixtrans-59-19.5171.6-79.9-4.1000112.7T100 R101 R469D97-T100 WeakPolarHBondContact O-CB 3.49Å; D97-T100 PolarHBondContact O-N 3.37Å; D97-R101 PolarHBondContact O-N 3.03Å; D97-R469 IonicContact OD1-NH2 2.68Å; D97-R469 IonicContact OD2-CZ 3.2Å; D97-R469 IonicContact OD2-NH1 3.89Å; D97-R469 PolarHBondContact OD2-NH1 3.09Å; D97-R469 IonicContact OD2-NH2 2.85Å; D97-R469 PolarHBondContact OD2-NH2 3.37Å
98K92Very high94.1Very high67 Ų6768.9 Ų68.929%0.29134%0.341SS..Hα-helixtrans-70.4-35.2174.9-59-53.1179.6-144.50112.1E3 F93 S96 T100 R101 F102E3-K98 IonicContact OE1-NZ 3.68Å; E3-K98 WeakPolarHBondContact OE2-CE 3.35Å; E3-K98 IonicContact OE2-NZ 2.92Å; E3-K98 PolarHBondContact OE2-NZ 3.02Å; F93-K98 HydrophobicContact CD2-CB 4.2Å; F93-K98 HydrophobicContact CE2-CB 3.88Å; S96-K98 PolarHBondContact O-N 2.81Å; S96-K98 PolarHBondContact OG-N 3.47Å; K98-T100 VanDerWaalsContact C-N 3.34Å; K98-R101 PolarHBondContact O-N 3.47Å; K98-F102 PolarHBondContact O-N 3.08Å
99F96.1Very high94.6Very high54 Ų5463.1 Ų63.124%0.23731%0.309CS..Hα-helixtrans-71.3-34.1171.8-174.8-111.6000111.2F93 I94 S96 R101 F102 C103F93-F99 HydrophobicContact CD1-CD2 4.36Å; F93-F99 HydrophobicContact CE1-CB 4.23Å; F93-F99 AromaticContact CE1-CD2 3.62Å; F93-F99 HydrophobicContact CE1-CD2 3.62Å; F93-F99 HydrophobicContact CE1-CE2 4.47Å; F93-F99 HydrophobicContact CE1-CG 4.36Å; F93-F99 HydrophobicContact CE2-CB 4.39Å; F93-F99 HydrophobicContact CZ-CB 4.15Å; F93-F99 AromaticContact CZ-CD2 3.97Å; F93-F99 HydrophobicContact CZ-CD2 3.97Å; F93-F99 WeakPolarHBondContact O-CB 3.48Å; I94-F99 HydrophobicContact CB-CD1 4.49Å; I94-F99 HydrophobicContact CD1-CD1 4.05Å; I94-F99 HydrophobicContact CD1-CD2 3.5Å; I94-F99 HydrophobicContact CD1-CE1 3.93Å; I94-F99 HydrophobicContact CD1-CE2 3.36Å; I94-F99 HydrophobicContact CD1-CG 3.84Å; I94-F99 HydrophobicContact CD1-CZ 3.59Å; I94-F99 HydrophobicContact CG2-CD1 4.11Å; I94-F99 HydrophobicContact CG2-CE1 4.16Å; I94-F99 WeakPolarHBondContact O-CD1 3.27Å; S96-F99 PolarHBondContact O-N 3Å; F99-R101 VanDerWaalsContact C-N 3.32Å; F99-R101 PolarHBondContact O-N 3.37Å; F99-F102 HydrophobicContact CD2-CB 4.34Å; F99-F102 AromaticContact CD2-CD1 3.77Å; F99-F102 HydrophobicContact CD2-CD1 3.77Å; F99-F102 HydrophobicContact CD2-CG 4.36Å; F99-F102 AromaticContact CE2-CD1 3.53Å; F99-F102 HydrophobicContact CE2-CD1 3.53Å; F99-F102 AromaticContact CE2-CE1 3.88Å; F99-F102 HydrophobicContact CE2-CE1 3.88Å; F99-F102 HydrophobicContact CZ-CD1 4.41Å; F99-F102 WeakPolarHBondContact O-CB 3.49Å; F99-F102 PolarHBondContact O-N 3.22Å; F99-F102 VanDerWaalsContact O-N 3.17Å; F99-C103 PolarHBondContact O-N 2.82Å; F99-C103 PolarHBondContact O-SG 3.39Å; F99-C103 VanDerWaalsContact O-SG 3.38Å
100T95.1Very high95Very high72 Ų7266.2 Ų66.244%0.44233%0.326SS..Hα-helixtrans-57.3-45.6168.5-51.40000111.5S96 D97 K98 F102 C103 Q104S96-T100 PolarHBondContact O-N 3.24Å; D97-T100 WeakPolarHBondContact O-CB 3.49Å; D97-T100 PolarHBondContact O-N 3.37Å; K98-T100 VanDerWaalsContact C-N 3.34Å; T100-F102 VanDerWaalsContact C-N 3.35Å; T100-F102 PolarHBondContact O-N 3.24Å; T100-C103 WeakPolarHBondContact O-CB 3.37Å; T100-C103 PolarHBondContact O-N 3.34Å; T100-Q104 WeakPolarHBondContact O-CG 3.37Å; T100-Q104 PolarHBondContact O-N 3.47Å
101R96.5Very high95.3Very high21 Ų2163.4 Ų63.48%0.07932%0.316CS..Hα-helixtrans-63.1-39.4174.9-176.355.858.566.36.2112.6D97 K98 F99 Q104 W105 N458 D462 E465D97-R101 PolarHBondContact O-N 3.03Å; K98-R101 PolarHBondContact O-N 3.47Å; F99-R101 VanDerWaalsContact C-N 3.32Å; F99-R101 PolarHBondContact O-N 3.37Å; R101-Q104 WeakPolarHBondContact O-CB 3.47Å; R101-Q104 PolarHBondContact O-N 2.93Å; R101-W105 PolarHBondContact O-N 2.85Å; R101-W105 VanDerWaalsContact O-N 3.08Å; R101-N458 WeakPolarHBondContact CD-OD1 3.34Å; R101-N458 VanDerWaalsContact CG-OD1 3.31Å; R101-N458 WeakPolarHBondContact CG-OD1 3.2Å; R101-N458 PolarHBondContact NH1-O 2.86Å; R101-N458 PolarHBondContact NH1-OD1 3.27Å; R101-N458 VanDerWaalsContact NH1-OD1 3.08Å; R101-D462 IonicContact CZ-OD1 3.59Å; R101-D462 IonicContact NH1-OD1 2.6Å; R101-D462 PolarHBondContact NH1-OD1 3.27Å; R101-D462 IonicContact NH2-OD1 2.76Å; R101-D462 PolarHBondContact NH2-OD1 2.99Å; R101-E465 IonicContact NH2-OE2 3.15Å; R101-E465 PolarHBondContact NH2-OE2 3.34Å
102F97.3Very high95.5Very high89 Ų8960.9 Ų60.939%0.3931%0.305SS..Hα-helixtrans-59.1-45.4172.4170.3-95.3000111.6K98 F99 T100 Q104 W105 K106K98-F102 PolarHBondContact O-N 3.08Å; F99-F102 HydrophobicContact CD2-CB 4.34Å; F99-F102 AromaticContact CD2-CD1 3.77Å; F99-F102 HydrophobicContact CD2-CD1 3.77Å; F99-F102 HydrophobicContact CD2-CG 4.36Å; F99-F102 AromaticContact CE2-CD1 3.53Å; F99-F102 HydrophobicContact CE2-CD1 3.53Å; F99-F102 AromaticContact CE2-CE1 3.88Å; F99-F102 HydrophobicContact CE2-CE1 3.88Å; F99-F102 HydrophobicContact CZ-CD1 4.41Å; F99-F102 WeakPolarHBondContact O-CB 3.49Å; F99-F102 PolarHBondContact O-N 3.22Å; F99-F102 VanDerWaalsContact O-N 3.17Å; T100-F102 VanDerWaalsContact C-N 3.35Å; T100-F102 PolarHBondContact O-N 3.24Å; F102-Q104 VanDerWaalsContact C-N 3.31Å; F102-Q104 PolarHBondContact O-N 3.38Å; F102-W105 PolarHBondContact O-N 2.83Å; F102-K106 HydrophobicContact CD1-CG 4.11Å; F102-K106 HydrophobicContact CD2-CG 4.35Å; F102-K106 HydrophobicContact CE1-CG 3.61Å; F102-K106 HydrophobicContact CE2-CD 4.22Å; F102-K106 HydrophobicContact CE2-CG 3.88Å; F102-K106 HydrophobicContact CG-CG 4.47Å; F102-K106 HydrophobicContact CZ-CD 4.01Å; F102-K106 VanDerWaalsContact CZ-CE 3.47Å; F102-K106 HydrophobicContact CZ-CG 3.49Å; F102-K106 VanDerWaalsContact CZ-CG 3.49Å; F102-K106 WeakPolarHBondContact O-CB 3.18Å; F102-K106 PolarHBondContact O-N 3.3Å
103C97.5Very high95.7Very high58 Ų5862.7 Ų62.739%0.39231%0.314SS..Hα-helixtrans-60.7-38.7175.3-69.90000112.5F99 T100 K106 N107F99-C103 PolarHBondContact O-N 2.82Å; F99-C103 PolarHBondContact O-SG 3.39Å; F99-C103 VanDerWaalsContact O-SG 3.38Å; T100-C103 WeakPolarHBondContact O-CB 3.37Å; T100-C103 PolarHBondContact O-N 3.34Å; C103-K106 PolarHBondContact O-N 2.87Å; C103-N107 WeakPolarHBondContact O-CB 3.35Å; C103-N107 PolarHBondContact O-N 2.94Å
104Q97.4Very high96Very high68 Ų6861.3 Ų61.332%0.31831%0.309SS..Hα-helixtrans-61-47.6175.3-69.6170.4-2200111.3T100 R101 F102 N107 V108 E465T100-Q104 WeakPolarHBondContact O-CG 3.37Å; T100-Q104 PolarHBondContact O-N 3.47Å; R101-Q104 WeakPolarHBondContact O-CB 3.47Å; R101-Q104 PolarHBondContact O-N 2.93Å; F102-Q104 VanDerWaalsContact C-N 3.31Å; F102-Q104 PolarHBondContact O-N 3.38Å; Q104-N107 PolarHBondContact O-N 2.91Å; Q104-V108 PolarHBondContact O-N 2.68Å; Q104-E465 PolarHBondContact NE2-OE1 3.43Å
105W98.2Very high96.2Very high36 Ų3662 Ų6214%0.13632%0.316CS..Hα-helixtrans-64.3-41.7175-80.3109.8000112.7R101 F102 N107 V108 E109 W445 V449 V453 Y454 V457 N458R101-W105 PolarHBondContact O-N 2.85Å; R101-W105 VanDerWaalsContact O-N 3.08Å; F102-W105 PolarHBondContact O-N 2.83Å; W105-N107 VanDerWaalsContact C-N 3.29Å; W105-N107 PolarHBondContact O-N 3.33Å; W105-V108 WeakPolarHBondContact O-CB 3.17Å; W105-V108 PolarHBondContact O-N 2.92Å; W105-V108 VanDerWaalsContact O-N 3.11Å; W105-E109 PolarHBondContact O-N 3.43Å; W105-W445 AromaticContact CE3-CH2 3.93Å; W105-W445 HydrophobicContact CE3-CH2 3.93Å; W105-W445 HydrophobicContact CE3-CZ2 4.22Å; W105-W445 HydrophobicContact CZ3-CZ2 4.46Å; W105-V449 HydrophobicContact CE3-CG1 4.06Å; W105-V449 HydrophobicContact CH2-CG1 3.58Å; W105-V449 HydrophobicContact CZ2-CG1 4.21Å; W105-V449 HydrophobicContact CZ3-CG1 3.49Å; W105-V449 VanDerWaalsContact CZ3-CG1 3.49Å; W105-V449 HydrophobicContact CZ3-CG2 4.37Å; W105-V453 HydrophobicContact CH2-CG2 4.45Å; W105-Y454 AromaticContact CD1-CE2 3.82Å; W105-Y454 HydrophobicContact CD2-CD2 4.42Å; W105-Y454 HydrophobicContact CD2-CE2 4.48Å; W105-Y454 AromaticContact CE2-CD2 3.76Å; W105-Y454 AromaticContact CE2-CE2 3.94Å; W105-Y454 HydrophobicContact CG-CE2 4.39Å; W105-Y454 AromaticContact CZ2-CD2 3.89Å; W105-Y454 HydrophobicContact CZ2-CD2 3.89Å; W105-Y454 HydrophobicContact CZ2-CE2 4.5Å; W105-Y454 AromaticContact NE1-CD2 3.8Å; W105-Y454 AromaticContact NE1-CE2 3.51Å; W105-V457 HydrophobicContact CH2-CB 4.05Å; W105-V457 HydrophobicContact CH2-CG1 3.81Å; W105-V457 HydrophobicContact CH2-CG2 4.42Å; W105-V457 HydrophobicContact CZ2-CB 3.89Å; W105-V457 HydrophobicContact CZ2-CG1 3.62Å; W105-N458 PolarHBondContact NE1-OD1 2.87Å
106K97.9Very high96.4Very high53 Ų5358.4 Ų58.423%0.2330%0.3CS..Hα-helixtrans-62.9-34.8175.6-78.4-48.8-156.1-173.10112.9F102 C103 V108 E109 L110F102-K106 HydrophobicContact CD1-CG 4.11Å; F102-K106 HydrophobicContact CD2-CG 4.35Å; F102-K106 HydrophobicContact CE1-CG 3.61Å; F102-K106 HydrophobicContact CE2-CD 4.22Å; F102-K106 HydrophobicContact CE2-CG 3.88Å; F102-K106 HydrophobicContact CG-CG 4.47Å; F102-K106 HydrophobicContact CZ-CD 4.01Å; F102-K106 VanDerWaalsContact CZ-CE 3.47Å; F102-K106 HydrophobicContact CZ-CG 3.49Å; F102-K106 VanDerWaalsContact CZ-CG 3.49Å; F102-K106 WeakPolarHBondContact O-CB 3.18Å; F102-K106 PolarHBondContact O-N 3.3Å; C103-K106 PolarHBondContact O-N 2.87Å; K106-V108 VanDerWaalsContact C-N 3.32Å; K106-E109 WeakPolarHBondContact CD-OE2 3.4Å; K106-E109 WeakPolarHBondContact CE-OE2 3.38Å; K106-E109 IonicContact NZ-OE1 3.72Å; K106-E109 PolarHBondContact NZ-OE1 3.48Å; K106-E109 IonicContact NZ-OE2 3.84Å; K106-E109 PolarHBondContact NZ-OE2 2.84Å; K106-E109 PolarHBondContact O-N 2.91Å; K106-L110 WeakPolarHBondContact O-CB 3.48Å; K106-L110 VanDerWaalsContact O-CG 3.3Å; K106-L110 WeakPolarHBondContact O-CG 3.4Å; K106-L110 PolarHBondContact O-N 3.37Å
107N97.7Very high96.7Very high53 Ų5364.6 Ų64.628%0.28333%0.331SS..Hα-helixtrans-65.5-36.4173.7-174.767.4000111.8C103 Q104 W105 N111 S577C103-N107 WeakPolarHBondContact O-CB 3.35Å; C103-N107 PolarHBondContact O-N 2.94Å; Q104-N107 PolarHBondContact O-N 2.91Å; W105-N107 VanDerWaalsContact C-N 3.29Å; W105-N107 PolarHBondContact O-N 3.33Å; N107-N111 WeakPolarHBondContact O-CB 3.49Å; N107-N111 PolarHBondContact O-N 3.26Å; N107-S577 WeakPolarHBondContact OD1-CB 3.3Å; N107-S577 PolarHBondContact OD1-OG 2.7Å
108V98Very high97Very high75 Ų7563.9 Ų63.946%0.45533%0.328SS..Hα-helixtrans-63.8-52.2172.2177.10000110Q104 W105 K106 L110 N111 I112 W445Q104-V108 PolarHBondContact O-N 2.68Å; W105-V108 WeakPolarHBondContact O-CB 3.17Å; W105-V108 PolarHBondContact O-N 2.92Å; W105-V108 VanDerWaalsContact O-N 3.11Å; K106-V108 VanDerWaalsContact C-N 3.32Å; V108-L110 PolarHBondContact O-N 3.4Å; V108-N111 PolarHBondContact O-N 3.42Å; V108-N111 VanDerWaalsContact O-N 3.1Å; V108-I112 WeakPolarHBondContact O-CG1 3.12Å; V108-I112 PolarHBondContact O-N 3.28Å; V108-W445 HydrophobicContact CB-CZ2 4.39Å; V108-W445 HydrophobicContact CG1-CZ2 3.92Å
109E98Very high97.3Very high18 Ų1861.2 Ų61.28%0.08432%0.316CS..Hα-helixtrans-53.1-51-178.6-171.4-179.8159.600113W105 K106 N111 I112 S442 W445 Q446W105-E109 PolarHBondContact O-N 3.43Å; K106-E109 WeakPolarHBondContact CD-OE2 3.4Å; K106-E109 WeakPolarHBondContact CE-OE2 3.38Å; K106-E109 IonicContact NZ-OE1 3.72Å; K106-E109 PolarHBondContact NZ-OE1 3.48Å; K106-E109 IonicContact NZ-OE2 3.84Å; K106-E109 PolarHBondContact NZ-OE2 2.84Å; K106-E109 PolarHBondContact O-N 2.91Å; E109-N111 PolarHBondContact O-N 3.49Å; E109-I112 WeakPolarHBondContact O-CD1 3.31Å; E109-I112 WeakPolarHBondContact O-CG1 3.28Å; E109-I112 PolarHBondContact O-N 3.49Å; E109-S442 WeakPolarHBondContact OE1-CA 2.97Å; E109-S442 WeakPolarHBondContact OE1-CB 3.45Å; E109-S442 PolarHBondContact OE1-OG 3.28Å; E109-W445 HydrophobicContact CB-CD2 4.47Å; E109-W445 HydrophobicContact CB-CE3 3.83Å; E109-W445 HydrophobicContact CB-CH2 3.64Å; E109-W445 HydrophobicContact CB-CZ2 4.3Å; E109-W445 HydrophobicContact CB-CZ3 3.39Å; E109-W445 HydrophobicContact CG-CD2 4.17Å; E109-W445 HydrophobicContact CG-CE3 3.48Å; E109-W445 VanDerWaalsContact CG-CE3 3.48Å; E109-W445 HydrophobicContact CG-CH2 4.28Å; E109-W445 HydrophobicContact CG-CZ3 3.57Å; E109-Q446 PolarHBondContact OE2-NE2 2.87Å
110L97.2Very high97.4Very high110 Ų11061.9 Ų61.958%0.57633%0.327SS*.THydrogen-bonded Turntrans-76.9-2.9-175.4-64.3174.2000113.2K106 V108 P579K106-L110 WeakPolarHBondContact O-CB 3.48Å; K106-L110 VanDerWaalsContact O-CG 3.3Å; K106-L110 WeakPolarHBondContact O-CG 3.4Å; K106-L110 PolarHBondContact O-N 3.37Å; V108-L110 PolarHBondContact O-N 3.4Å; L110-P579 HydrophobicContact CB-CG 3.45Å; L110-P579 VanDerWaalsContact CB-CG 3.45Å; L110-P579 HydrophobicContact CD1-CG 4.07Å; L110-P579 HydrophobicContact CG-CG 4.43Å
111N97.1Very high97.3Very high48 Ų4861.1 Ų61.126%0.25732%0.322SS..THydrogen-bonded Turntrans-115.813.1179.9-161.752.2000113N107 V108 E109 H113 S577 D578N107-N111 WeakPolarHBondContact O-CB 3.49Å; N107-N111 PolarHBondContact O-N 3.26Å; V108-N111 PolarHBondContact O-N 3.42Å; V108-N111 VanDerWaalsContact O-N 3.1Å; E109-N111 PolarHBondContact O-N 3.49Å; N111-H113 PolarHBondContact O-N 3.38Å; N111-H113 PolarHBondContact O-ND1 3Å; N111-S577 VanDerWaalsContact CG-CB 3.5Å; N111-S577 VanDerWaalsContact OD1-CA 3.28Å; N111-S577 WeakPolarHBondContact OD1-CA 3.33Å; N111-D578 PolarHBondContact OD1-N 2.97Å
112I97.6Very high97.1Very high39 Ų3964.2 Ų64.220%0.234%0.338CS..  trans-68.4117.5178.7-68.3168.2000109.9V108 E109 L114 V440 W445V108-I112 WeakPolarHBondContact O-CG1 3.12Å; V108-I112 PolarHBondContact O-N 3.28Å; E109-I112 WeakPolarHBondContact O-CD1 3.31Å; E109-I112 WeakPolarHBondContact O-CG1 3.28Å; E109-I112 PolarHBondContact O-N 3.49Å; I112-L114 HydrophobicContact CG2-CD1 4.25Å; I112-L114 HydrophobicContact CG2-CD2 4.03Å; I112-L114 HydrophobicContact CG2-CG 3.7Å; I112-V440 HydrophobicContact CB-CG2 4Å; I112-V440 HydrophobicContact CD1-CG1 4.12Å; I112-V440 HydrophobicContact CD1-CG2 4.38Å; I112-V440 HydrophobicContact CG2-CG2 3.76Å; I112-W445 HydrophobicContact CD1-CD2 4.06Å; I112-W445 HydrophobicContact CD1-CG 3.93Å; I112-W445 HydrophobicContact CD1-CZ2 4.46Å
113H96.1Very high96.4Very high118 Ų11866.2 Ų66.255%0.54634%0.343SS..  trans-127.190.7174-65.391.3000108.8N111 D578N111-H113 PolarHBondContact O-N 3.38Å; N111-H113 PolarHBondContact O-ND1 3Å; H113-D578 IonicContact CE1-OD2 2.78Å; H113-D578 IonicContact NE2-OD2 3.95Å
114L97.8Very high95.8Very high25 Ų2565.5 Ų65.513%0.13133%0.334CS..  trans-77.4145.1-173.7-66.7171.6000112.7I112 D118 F119 Y187 F189I112-L114 HydrophobicContact CG2-CD1 4.25Å; I112-L114 HydrophobicContact CG2-CD2 4.03Å; I112-L114 HydrophobicContact CG2-CG 3.7Å; L114-D118 HydrophobicContact CD2-CB 4.07Å; L114-F119 HydrophobicContact CB-CE2 4.41Å; L114-F119 HydrophobicContact CD1-CE2 4.29Å; L114-F119 HydrophobicContact CD1-CZ 4.12Å; L114-F119 HydrophobicContact CD2-CE2 4.11Å; L114-F119 HydrophobicContact CD2-CZ 4.23Å; L114-Y187 VanDerWaalsContact CD1-CB 3.44Å; L114-Y187 HydrophobicContact CD1-CD1 3.6Å; L114-Y187 HydrophobicContact CD1-CD2 4.08Å; L114-Y187 HydrophobicContact CD1-CE1 4.36Å; L114-Y187 HydrophobicContact CD1-CG 3.44Å; L114-Y187 VanDerWaalsContact CD1-CG 3.44Å; L114-F189 HydrophobicContact CB-CB 4.04Å; L114-F189 HydrophobicContact CB-CD1 3.82Å; L114-F189 HydrophobicContact CB-CD2 4.39Å; L114-F189 HydrophobicContact CB-CE1 4.36Å; L114-F189 HydrophobicContact CB-CG 3.83Å; L114-F189 HydrophobicContact CD1-CD1 4.15Å; L114-F189 WeakPolarHBondContact O-CD2 3.41Å
115T97.5Very high95.1Very high64 Ų6463.7 Ų63.739%0.39333%0.326SS..  trans-132.8172.9172.6710000109.6N117 D118 F119T115-N117 PolarHBondContact O-N 3.19Å; T115-N117 PolarHBondContact OG1-N 3.38Å; T115-D118 WeakPolarHBondContact CA-OD2 3.29Å; T115-D118 PolarHBondContact N-OD2 3.04Å; T115-D118 PolarHBondContact O-N 3.13Å; T115-D118 PolarHBondContact OG1-OD2 3.14Å; T115-F119 WeakPolarHBondContact O-CD2 3.35Å
116M96.6Very high94.3Very high64 Ų6463 Ų6332%0.31533%0.33SS..G310 helixtrans-62.3-25.6174-64.9-62.3-67.600112.8D118 F119 V121 M147 F189 T191M116-D118 PolarHBondContact O-N 3.44Å; M116-F119 PolarHBondContact O-N 3.13Å; M116-F119 VanDerWaalsContact O-O 3.07Å; M116-V121 HydrophobicContact CE-CG2 4.1Å; M116-M147 HydrophobicContact CE-CE 4.28Å; M116-M147 HydrophobicContact CE-SD 3.55Å; M116-M147 VanDerWaalsContact CE-SD 3.55Å; M116-M147 HydrophobicContact SD-CE 4.31Å; M116-M147 HydrophobicContact SD-SD 3.87Å; M116-F189 HydrophobicContact CG-CE2 4.4Å; M116-F189 HydrophobicContact SD-CE2 3.94Å; M116-F189 HydrophobicContact SD-CZ 3.89Å; M116-T191 HydrophobicContact CG-CG2 3.82Å
117N97.4Very high93.5Very high151 Ų15163.9 Ų63.981%0.80733%0.332SS*.G310 helixtrans-72.5-17.4-178.4-67.7-22000113.2T115 F119T115-N117 PolarHBondContact O-N 3.19Å; T115-N117 PolarHBondContact OG1-N 3.38Å; N117-F119 PolarHBondContact O-N 3.19Å
118D98.2Very high92.7Very high59 Ų5963.2 Ų63.232%0.31634%0.338SS..G310 helixtrans-76.8-4.2176.1-56.3-66.5000112L114 T115 M116 A139L114-D118 HydrophobicContact CD2-CB 4.07Å; T115-D118 WeakPolarHBondContact CA-OD2 3.29Å; T115-D118 PolarHBondContact N-OD2 3.04Å; T115-D118 PolarHBondContact O-N 3.13Å; T115-D118 PolarHBondContact OG1-OD2 3.14Å; M116-D118 PolarHBondContact O-N 3.44Å; D118-A139 WeakPolarHBondContact O-CB 3.25Å; D118-A139 PolarHBondContact O-N 2.78Å
119F98.3Very high91.8Very high11 Ų1161.7 Ų61.75%0.04834%0.337CS..EExtended strand (participates in β ladder)trans-128.9128.5-177.8-60.7-87.1000111.7L114 T115 M116 N117 V121 C136 R137 K138 M147 Y187 F189 I198L114-F119 HydrophobicContact CB-CE2 4.41Å; L114-F119 HydrophobicContact CD1-CE2 4.29Å; L114-F119 HydrophobicContact CD1-CZ 4.12Å; L114-F119 HydrophobicContact CD2-CE2 4.11Å; L114-F119 HydrophobicContact CD2-CZ 4.23Å; T115-F119 WeakPolarHBondContact O-CD2 3.35Å; M116-F119 PolarHBondContact O-N 3.13Å; M116-F119 VanDerWaalsContact O-O 3.07Å; N117-F119 PolarHBondContact O-N 3.19Å; F119-V121 HydrophobicContact CB-CG2 4.43Å; F119-V121 PolarHBondContact O-N 2.85Å; F119-C136 HydrophobicContact CB-CB 4.4Å; F119-R137 CarbonylContact C-O 3.5Å; F119-R137 WeakPolarHBondContact CA-O 3.45Å; F119-K138 HydrophobicContact CD1-CB 4.02Å; F119-K138 HydrophobicContact CD1-CG 4.09Å; F119-K138 HydrophobicContact CE1-CB 3.84Å; F119-K138 HydrophobicContact CE1-CD 3.83Å; F119-K138 HydrophobicContact CE1-CG 3.63Å; F119-K138 HydrophobicContact CZ-CD 4.07Å; F119-K138 HydrophobicContact CZ-CG 4.12Å; F119-M147 HydrophobicContact CB-CE 3.42Å; F119-M147 VanDerWaalsContact CB-CE 3.42Å; F119-M147 HydrophobicContact CD1-CE 4.02Å; F119-M147 HydrophobicContact CD2-CE 3.61Å; F119-M147 HydrophobicContact CE2-CE 4.4Å; F119-M147 HydrophobicContact CG-CE 3.4Å; F119-Y187 HydrophobicContact CZ-CD2 4.43Å; F119-F189 HydrophobicContact CD2-CE1 4.28Å; F119-F189 HydrophobicContact CD2-CZ 4.2Å; F119-F189 AromaticContact CE2-CE1 3.68Å; F119-F189 HydrophobicContact CE2-CE1 3.68Å; F119-F189 HydrophobicContact CE2-CZ 4.02Å; F119-F189 HydrophobicContact CZ-CE1 4.36Å; F119-I198 HydrophobicContact CD1-CD1 4.11Å; F119-I198 HydrophobicContact CE1-CD1 3.64Å; F119-I198 HydrophobicContact CE1-CG1 3.91Å; F119-I198 HydrophobicContact CE1-CG2 4.18Å; F119-I198 HydrophobicContact CE2-CD1 4.12Å; F119-I198 HydrophobicContact CE2-CG1 4.32Å; F119-I198 HydrophobicContact CZ-CD1 3.67Å; F119-I198 HydrophobicContact CZ-CG1 3.63Å
120S97.6Very high91.2Very high67 Ų6762.9 Ų62.947%0.46934%0.342SS..EExtended strand (participates in β ladder)trans-80.2103.8162.6-169.90000108.4C136 R137S120-C136 CarbonylContact O-C 3.57Å; S120-C136 WeakPolarHBondContact O-CA 3.41Å; S120-C136 WeakPolarHBondContact O-CB 3.15Å; S120-R137 PolarHBondContact N-O 2.91Å; S120-R137 PolarHBondContact O-N 2.91Å
121V94.4Very high90.9Very high57 Ų5757.9 Ų57.935%0.34532%0.318SS..EExtended strand (participates in β ladder)trans-82.9129.7-178.7-175.80000109.7M116 F119 Y134 C136 M147M116-V121 HydrophobicContact CE-CG2 4.1Å; F119-V121 HydrophobicContact CB-CG2 4.43Å; F119-V121 PolarHBondContact O-N 2.85Å; V121-Y134 HydrophobicContact CG1-CD1 3.85Å; V121-Y134 HydrophobicContact CG1-CD2 4.41Å; V121-Y134 HydrophobicContact CG1-CG 3.71Å; V121-C136 HydrophobicContact CG2-CB 4.5Å; V121-M147 HydrophobicContact CG2-CE 4.01Å; V121-M147 HydrophobicContact CG2-SD 4.08Å
122H90.4Very high90.6Very high86 Ų8656.9 Ų56.940%0.39831%0.312SS..EExtended strand (participates in β ladder)trans-105-156.6177.9-56171.2000110.2G135H122-G135 WeakPolarHBondContact CA-O 3.37Å; H122-G135 VanDerWaalsContact CB-O 3.31Å; H122-G135 WeakPolarHBondContact CB-O 3.35Å; H122-G135 PolarHBondContact N-O 3.34Å
123R83.3Confident90.4Very high131 Ų13156.5 Ų56.549%0.49431%0.311SS..EExtended strand (participates in β ladder)trans-60.4155.1-178.966.1174.3168.9-162-10.3113.5I125 Y134 G135R123-I125 HydrophobicContact CG-CG2 4.42Å; R123-Y134 WeakPolarHBondContact O-CA 3.18Å; R123-G135 PolarHBondContact O-N 3.38Å
124I85.4Confident90.2Very high42 Ų4253.3 Ų53.322%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-64.4135.7166.8-62167.5000108.7G126 V133 Y134 I413I124-G126 WeakPolarHBondContact CG2-O 3.43Å; I124-V133 CarbonylContact C-O 3.59Å; I124-V133 WeakPolarHBondContact CA-O 3.05Å; I124-Y134 HydrophobicContact CB-CD1 4.44Å; I124-Y134 HydrophobicContact CD1-CE1 4.01Å; I124-Y134 HydrophobicContact CG1-CD1 3.56Å; I124-Y134 HydrophobicContact CG1-CE1 3.3Å; I124-I413 HydrophobicContact CG2-CD1 4.07Å; I124-I413 HydrophobicContact CG2-CG2 4.11Å
125I82.3Confident90Very high30 Ų3052.5 Ų52.515%0.15429%0.292CS..EExtended strand (participates in β ladder)trans-120.1-7.817761174.8000112.4R123 V133 A146 L201 V405R123-I125 HydrophobicContact CG-CG2 4.42Å; I125-V133 HydrophobicContact CD1-CG1 3.92Å; I125-V133 HydrophobicContact CG1-CB 4.08Å; I125-V133 HydrophobicContact CG1-CG1 3.76Å; I125-V133 WeakPolarHBondContact CG1-O 3.22Å; I125-V133 PolarHBondContact N-O 3Å; I125-A146 HydrophobicContact CD1-CB 4.06Å; I125-L201 HydrophobicContact CD1-CD1 3.71Å; I125-V405 HydrophobicContact CG2-CG1 4.02Å
126G81.3Confident89.9Confident21 Ų2149.4 Ų49.422%0.21627%0.273CS..EExtended strand (participates in β ladder)trans-169.9159.7175.500000113I124 V133I124-G126 WeakPolarHBondContact CG2-O 3.43Å; G126-V133 PolarHBondContact N-O 2.54Å; G126-V133 PolarHBondContact O-N 3.16Å
127R82.3Confident90Very high72 Ų7252 Ų5227%0.27228%0.279SS..EExtended strand (participates in β ladder)trans-136.7137.7175.6179.3-179.9-88.9-179.9-2.5110.8E132 I413 G414 S415 F416R127-E132 HydrophobicContact CG-CG 4.49Å; R127-E132 IonicContact CZ-OE1 3.51Å; R127-E132 IonicContact NE-OE1 2.81Å; R127-E132 PolarHBondContact NE-OE1 3.14Å; R127-E132 VanDerWaalsContact NE-OE1 3.15Å; R127-E132 IonicContact NH2-OE1 3.66Å; R127-E132 PolarHBondContact NH2-OE1 3.39Å; R127-I413 HydrophobicContact CB-CG2 3.6Å; R127-I413 WeakPolarHBondContact CD-O 3.5Å; R127-I413 PolarHBondContact NH1-O 2.91Å; R127-G414 PolarHBondContact NH1-O 3.23Å; R127-G414 PolarHBondContact NH2-O 3.45Å; R127-S415 VanDerWaalsContact NH1-N 3.15Å; R127-S415 PolarHBondContact NH1-O 3.21Å; R127-S415 VanDerWaalsContact NH1-O 3.12Å; R127-F416 HydrophobicContact CG-CE1 3.91Å; R127-F416 HydrophobicContact CG-CE2 4.22Å; R127-F416 HydrophobicContact CG-CZ 3.56Å
128G79.8Confident90Very high40 Ų4045 Ų4541%0.41224%0.242SC..  trans-126.4-174.5177.500000112.9F130 G131 F416G128-F130 VanDerWaalsContact C-N 3.28Å; G128-F130 PolarHBondContact O-N 3.42Å; G128-G131 PolarHBondContact N-O 3.33Å; G128-F416 WeakPolarHBondContact O-CZ 3.43Å
129G79.4Confident90Very high42 Ų4245.6 Ų45.643%0.43326%0.255SS..SBendtrans-65-26.5-176.400000115.1K158G129-K158 PolarHBondContact O-NZ 3.37Å
130F86.1Confident90Very high43 Ų4350 Ų5019%0.18928%0.279CS..SBendtrans-112.2-8.1-175.2-58.8-70000113.9G128 L150 D151 I155 K158 L163G128-F130 VanDerWaalsContact C-N 3.28Å; G128-F130 PolarHBondContact O-N 3.42Å; F130-L150 HydrophobicContact CB-CB 4.33Å; F130-L150 HydrophobicContact CB-CD2 4.08Å; F130-D151 PolarHBondContact O-N 2.82Å; F130-I155 HydrophobicContact CB-CG1 4.19Å; F130-I155 HydrophobicContact CD1-CG1 3.98Å; F130-I155 HydrophobicContact CG-CG1 4.26Å; F130-K158 HydrophobicContact CD1-CD 4.17Å; F130-K158 HydrophobicContact CE1-CB 3.71Å; F130-K158 HydrophobicContact CE1-CD 3.84Å; F130-K158 HydrophobicContact CE1-CG 4.4Å; F130-L163 HydrophobicContact CD2-CD2 4.42Å; F130-L163 HydrophobicContact CE2-CD2 3.51Å; F130-L163 HydrophobicContact CZ-CD2 4.17Å
131G90.1Very high90Very high6 Ų647.7 Ų47.76%0.06226%0.262CS..EExtended strand (participates in β ladder)trans176.4-168.9-165.700000114.8G128 C149G128-G131 PolarHBondContact N-O 3.33Å; G131-C149 CarbonylContact C-O 3.52Å; G131-C149 WeakPolarHBondContact CA-O 3.41Å
132E91.3Very high90.1Very high27 Ų2746.3 Ų46.313%0.12626%0.259CS..EExtended strand (participates in β ladder)trans-127.8157.5-174.5-54.8-173.8143.100110R127 Y134 C149 F416R127-E132 HydrophobicContact CG-CG 4.49Å; R127-E132 IonicContact CZ-OE1 3.51Å; R127-E132 IonicContact NE-OE1 2.81Å; R127-E132 PolarHBondContact NE-OE1 3.14Å; R127-E132 VanDerWaalsContact NE-OE1 3.15Å; R127-E132 IonicContact NH2-OE1 3.66Å; R127-E132 PolarHBondContact NH2-OE1 3.39Å; E132-Y134 HydrophobicContact CB-CE2 3.91Å; E132-Y134 PolarHBondContact OE2-OH 2.79Å; E132-C149 PolarHBondContact N-O 3.39Å; E132-C149 PolarHBondContact O-N 3.36Å; E132-F416 HydrophobicContact CG-CD2 4.03Å; E132-F416 HydrophobicContact CG-CE2 3.55Å; E132-F416 HydrophobicContact CG-CZ 4.44Å
133V92.3Very high90.4Very high31 Ų3144.8 Ų44.819%0.18825%0.251CS..EExtended strand (participates in β ladder)trans-117.3129.5174.9-170.60000108.1I124 I125 G126 A146 M147 K148I124-V133 CarbonylContact C-O 3.59Å; I124-V133 WeakPolarHBondContact CA-O 3.05Å; I125-V133 HydrophobicContact CD1-CG1 3.92Å; I125-V133 HydrophobicContact CG1-CB 4.08Å; I125-V133 HydrophobicContact CG1-CG1 3.76Å; I125-V133 WeakPolarHBondContact CG1-O 3.22Å; I125-V133 PolarHBondContact N-O 3Å; G126-V133 PolarHBondContact N-O 2.54Å; G126-V133 PolarHBondContact O-N 3.16Å; V133-A146 HydrophobicContact CG1-CB 4Å; V133-M147 CarbonylContact C-O 3.57Å; V133-M147 WeakPolarHBondContact CA-O 3.13Å; V133-K148 HydrophobicContact CG2-CB 4.05Å; V133-K148 HydrophobicContact CG2-CD 4.5Å; V133-K148 HydrophobicContact CG2-CG 4Å
134Y92.3Very high91.1Very high51 Ų5141.9 Ų41.920%0.224%0.244CC..EExtended strand (participates in β ladder)trans-115.3146.7178.5-51.9-94.9000110.1V121 R123 I124 E132 A146 M147 C149V121-Y134 HydrophobicContact CG1-CD1 3.85Å; V121-Y134 HydrophobicContact CG1-CD2 4.41Å; V121-Y134 HydrophobicContact CG1-CG 3.71Å; R123-Y134 WeakPolarHBondContact O-CA 3.18Å; I124-Y134 HydrophobicContact CB-CD1 4.44Å; I124-Y134 HydrophobicContact CD1-CE1 4.01Å; I124-Y134 HydrophobicContact CG1-CD1 3.56Å; I124-Y134 HydrophobicContact CG1-CE1 3.3Å; E132-Y134 HydrophobicContact CB-CE2 3.91Å; E132-Y134 PolarHBondContact OE2-OH 2.79Å; Y134-A146 CarbonylContact O-C 3.59Å; Y134-A146 WeakPolarHBondContact O-CA 3.46Å; Y134-M147 PolarHBondContact N-O 3.5Å; Y134-M147 PolarHBondContact O-N 3.08Å; Y134-C149 HydrophobicContact CE2-CB 4.01Å
135G93.3Very high91.7Very high7 Ų740 Ų407%0.07224%0.235CC..EExtended strand (participates in β ladder)trans-70.6140157.600000109.1H122 R123H122-G135 WeakPolarHBondContact CA-O 3.37Å; H122-G135 VanDerWaalsContact CB-O 3.31Å; H122-G135 WeakPolarHBondContact CB-O 3.35Å; H122-G135 PolarHBondContact N-O 3.34Å; R123-G135 PolarHBondContact O-N 3.38Å
136C96.4Very high92.3Very high0 Ų038.9 Ų38.90%023%0.229CC..EExtended strand (participates in β ladder)trans-145.1163.7174.871.40000112.2F119 S120 V121 M144 Y145 M147F119-C136 HydrophobicContact CB-CB 4.4Å; S120-C136 CarbonylContact O-C 3.57Å; S120-C136 WeakPolarHBondContact O-CA 3.41Å; S120-C136 WeakPolarHBondContact O-CB 3.15Å; V121-C136 HydrophobicContact CG2-CB 4.5Å; C136-M144 WeakPolarHBondContact O-CA 3.38Å; C136-Y145 PolarHBondContact N-O 3.33Å; C136-Y145 PolarHBondContact O-N 3.08Å; C136-M147 HydrophobicContact CB-CB 4.38Å; C136-M147 HydrophobicContact CB-CE 4.42Å
137R98.1Very high93.1Very high119 Ų11937.9 Ų37.945%0.44922%0.219SC..EExtended strand (participates in β ladder)trans-119.9126.8172-176.8-180-65.8-130-2.5109.4F119 S120 G142 K143 M144F119-R137 CarbonylContact C-O 3.5Å; F119-R137 WeakPolarHBondContact CA-O 3.45Å; S120-R137 PolarHBondContact N-O 2.91Å; S120-R137 PolarHBondContact O-N 2.91Å; R137-G142 WeakPolarHBondContact CG-O 3.43Å; R137-K143 WeakPolarHBondContact CA-O 3.49Å; R137-M144 HydrophobicContact CB-SD 3.77Å; R137-M144 HydrophobicContact CG-SD 4.08Å
138K98.3Very high93.8Very high3 Ų335.9 Ų35.91%0.01321%0.212CC..EExtended strand (participates in β ladder)trans-73.6128.6173.6-161.5169.8157.6-82.50109.6F119 D140 G142 K143 Y145 Y187 E448F119-K138 HydrophobicContact CD1-CB 4.02Å; F119-K138 HydrophobicContact CD1-CG 4.09Å; F119-K138 HydrophobicContact CE1-CB 3.84Å; F119-K138 HydrophobicContact CE1-CD 3.83Å; F119-K138 HydrophobicContact CE1-CG 3.63Å; F119-K138 HydrophobicContact CZ-CD 4.07Å; F119-K138 HydrophobicContact CZ-CG 4.12Å; K138-D140 WeakPolarHBondContact CE-OD1 3.34Å; K138-D140 WeakPolarHBondContact CG-OD1 3.03Å; K138-D140 IonicContact NZ-OD1 3.09Å; K138-D140 PolarHBondContact NZ-OD1 3Å; K138-D140 IonicContact NZ-OD2 2.7Å; K138-D140 PolarHBondContact NZ-OD2 2.94Å; K138-G142 WeakPolarHBondContact O-CA 3.12Å; K138-G142 PolarHBondContact O-N 3.03Å; K138-K143 PolarHBondContact N-O 2.85Å; K138-Y145 HydrophobicContact CB-CD2 4.36Å; K138-Y145 HydrophobicContact CB-CE2 4.47Å; K138-Y187 HydrophobicContact CD-CD2 4.5Å; K138-Y187 HydrophobicContact CD-CE2 3.62Å; K138-Y187 WeakPolarHBondContact CE-OH 3.48Å; K138-E448 WeakPolarHBondContact CD-OE1 3.39Å; K138-E448 IonicContact NZ-OE1 2.82Å; K138-E448 PolarHBondContact NZ-OE1 3.3Å
139A98.2Very high94.7Very high72 Ų7234.4 Ų34.460%0.59520%0.195SC*.THydrogen-bonded Turntrans-72.7-34.1-162.900000114.3D118D118-A139 WeakPolarHBondContact O-CB 3.25Å; D118-A139 PolarHBondContact O-N 2.78Å
140D96.9Very high95.5Very high104 Ų10432.7 Ų32.756%0.55618%0.177SC*.THydrogen-bonded Turntrans-76.9-33.4-176.459-8.7000113.8K138K138-D140 WeakPolarHBondContact CE-OD1 3.34Å; K138-D140 WeakPolarHBondContact CG-OD1 3.03Å; K138-D140 IonicContact NZ-OD1 3.09Å; K138-D140 PolarHBondContact NZ-OD1 3Å; K138-D140 IonicContact NZ-OD2 2.7Å; K138-D140 PolarHBondContact NZ-OD2 2.94Å
141T97.9Very high96Very high17 Ų1731.6 Ų31.610%0.10417%0.173CC..THydrogen-bonded Turntrans-112-18.7-177.760.50000113.6K143 E448 V449 V453T141-K143 PolarHBondContact O-N 3.02Å; T141-K143 PolarHBondContact OG1-N 3.48Å; T141-E448 WeakPolarHBondContact CB-OE1 3.27Å; T141-E448 HydrophobicContact CG2-CG 3.98Å; T141-E448 WeakPolarHBondContact CG2-OE1 3.36Å; T141-E448 PolarHBondContact OG1-OE1 3.2Å; T141-V449 HydrophobicContact CG2-CG2 4.47Å; T141-V453 HydrophobicContact CG2-CG2 4.13Å
142G97.3Very high96.3Very high28 Ų2831.4 Ų31.429%0.28917%0.17SC..  trans764.3-175.400000114.6R137 K138R137-G142 WeakPolarHBondContact CG-O 3.43Å; K138-G142 WeakPolarHBondContact O-CA 3.12Å; K138-G142 PolarHBondContact O-N 3.03Å
143K97.4Very high96.6Very high55 Ų5533.7 Ų33.724%0.23918%0.18CC..  trans-67.3137.1-179.8-168.4157.8-177.4161.80111.1R137 K138 T141 Y145 E448 E451R137-K143 WeakPolarHBondContact CA-O 3.49Å; K138-K143 PolarHBondContact N-O 2.85Å; T141-K143 PolarHBondContact O-N 3.02Å; T141-K143 PolarHBondContact OG1-N 3.48Å; K143-Y145 HydrophobicContact CB-CD2 4.45Å; K143-Y145 HydrophobicContact CB-CE2 3.82Å; K143-Y145 HydrophobicContact CD-CE2 4.11Å; K143-Y145 WeakPolarHBondContact CD-OH 3.41Å; K143-Y145 HydrophobicContact CG-CD2 4.37Å; K143-Y145 HydrophobicContact CG-CE2 3.69Å; K143-E448 HydrophobicContact CB-CG 4Å; K143-E448 HydrophobicContact CD-CB 3.68Å; K143-E448 HydrophobicContact CD-CG 3.54Å; K143-E448 HydrophobicContact CG-CG 4.38Å; K143-E451 IonicContact NZ-OE2 3.53Å; K143-E451 PolarHBondContact NZ-OE2 3.17Å
144M96.4Very high96.7Very high69 Ų6932.9 Ų32.934%0.3417%0.173SC..EExtended strand (participates in β ladder)trans-86.8139.8179.4-66.9-65.1-58.300110.5C136 R137 L201C136-M144 WeakPolarHBondContact O-CA 3.38Å; R137-M144 HydrophobicContact CB-SD 3.77Å; R137-M144 HydrophobicContact CG-SD 4.08Å; M144-L201 HydrophobicContact CB-CD2 4.11Å; M144-L201 HydrophobicContact CE-CD2 4.29Å
145Y97.6Very high96.9Very high4 Ų430.5 Ų30.52%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-143.7165.5-177.9-75.8-70.2000112C136 K138 K143 T186 Y187 I198 L199 E448C136-Y145 PolarHBondContact N-O 3.33Å; C136-Y145 PolarHBondContact O-N 3.08Å; K138-Y145 HydrophobicContact CB-CD2 4.36Å; K138-Y145 HydrophobicContact CB-CE2 4.47Å; K143-Y145 HydrophobicContact CB-CD2 4.45Å; K143-Y145 HydrophobicContact CB-CE2 3.82Å; K143-Y145 HydrophobicContact CD-CE2 4.11Å; K143-Y145 WeakPolarHBondContact CD-OH 3.41Å; K143-Y145 HydrophobicContact CG-CD2 4.37Å; K143-Y145 HydrophobicContact CG-CE2 3.69Å; Y145-T186 WeakPolarHBondContact CE1-OG1 3.38Å; Y145-T186 PolarHBondContact OH-OG1 3.45Å; Y145-Y187 HydrophobicContact CE2-CE2 4.25Å; Y145-I198 HydrophobicContact CD1-CG2 3.55Å; Y145-I198 HydrophobicContact CD2-CG2 3.72Å; Y145-I198 HydrophobicContact CE1-CG2 4.13Å; Y145-I198 HydrophobicContact CE2-CG2 4.28Å; Y145-I198 HydrophobicContact CG-CG2 3.32Å; Y145-L199 WeakPolarHBondContact CD1-O 3.36Å; Y145-E448 WeakPolarHBondContact CE2-OE2 3.42Å; Y145-E448 PolarHBondContact OH-OE2 3.03Å
146A96.8Very high97Very high5 Ų532.9 Ų32.94%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-95.2130.3158.200000109.7I125 V133 Y134 L199 L201I125-A146 HydrophobicContact CD1-CB 4.06Å; V133-A146 HydrophobicContact CG1-CB 4Å; Y134-A146 CarbonylContact O-C 3.59Å; Y134-A146 WeakPolarHBondContact O-CA 3.46Å; A146-L199 HydrophobicContact CB-CB 4.4Å; A146-L199 PolarHBondContact N-O 2.99Å; A146-L199 PolarHBondContact O-N 2.63Å; A146-L201 HydrophobicContact CB-CD1 4.17Å
147M97.8Very high96.9Very high0 Ų036.6 Ų36.60%019%0.19CC..EExtended strand (participates in β ladder)trans-106.4105.5174-176.8-172.6-72.400109.4M116 F119 V121 V133 Y134 C136 C149 F189 F197 I198M116-M147 HydrophobicContact CE-CE 4.28Å; M116-M147 HydrophobicContact CE-SD 3.55Å; M116-M147 VanDerWaalsContact CE-SD 3.55Å; M116-M147 HydrophobicContact SD-CE 4.31Å; M116-M147 HydrophobicContact SD-SD 3.87Å; F119-M147 HydrophobicContact CB-CE 3.42Å; F119-M147 VanDerWaalsContact CB-CE 3.42Å; F119-M147 HydrophobicContact CD1-CE 4.02Å; F119-M147 HydrophobicContact CD2-CE 3.61Å; F119-M147 HydrophobicContact CE2-CE 4.4Å; F119-M147 HydrophobicContact CG-CE 3.4Å; V121-M147 HydrophobicContact CG2-CE 4.01Å; V121-M147 HydrophobicContact CG2-SD 4.08Å; V133-M147 CarbonylContact C-O 3.57Å; V133-M147 WeakPolarHBondContact CA-O 3.13Å; Y134-M147 PolarHBondContact N-O 3.5Å; Y134-M147 PolarHBondContact O-N 3.08Å; C136-M147 HydrophobicContact CB-CB 4.38Å; C136-M147 HydrophobicContact CB-CE 4.42Å; M147-C149 VanDerWaalsContact CG-SG 3.55Å; M147-F189 HydrophobicContact CE-CZ 4.34Å; M147-F197 CarbonylContact C-O 3.54Å; M147-F197 WeakPolarHBondContact CA-O 3.45Å; M147-I198 HydrophobicContact CB-CD1 3.96Å; M147-I198 HydrophobicContact CE-CD1 3.79Å; M147-I198 HydrophobicContact CG-CD1 3.79Å
148K96.9Very high96.7Very high30 Ų3035.9 Ų35.913%0.1319%0.191CC..EExtended strand (participates in β ladder)trans-87.9108.8173.3179.5174.4-178.8-177.40108.9V133 L150 E167 C196 F197 L199 D263V133-K148 HydrophobicContact CG2-CB 4.05Å; V133-K148 HydrophobicContact CG2-CD 4.5Å; V133-K148 HydrophobicContact CG2-CG 4Å; K148-L150 HydrophobicContact CD-CD2 4.48Å; K148-L150 HydrophobicContact CG-CD2 3.97Å; K148-E167 VanDerWaalsContact NZ-CD 3.27Å; K148-E167 IonicContact NZ-OE1 3.44Å; K148-E167 PolarHBondContact NZ-OE1 3.29Å; K148-E167 IonicContact NZ-OE2 3.6Å; K148-E167 PolarHBondContact NZ-OE2 3.05Å; K148-E167 VanDerWaalsContact NZ-OE2 3.08Å; K148-C196 WeakPolarHBondContact O-CA 3.44Å; K148-F197 HydrophobicContact CB-CB 4.27Å; K148-F197 HydrophobicContact CB-CD2 4.46Å; K148-F197 HydrophobicContact CG-CD2 4.41Å; K148-F197 PolarHBondContact N-O 3.1Å; K148-F197 PolarHBondContact O-N 2.97Å; K148-L199 HydrophobicContact CB-CD1 4.05Å; K148-L199 HydrophobicContact CD-CD1 4.27Å; K148-D263 IonicContact NZ-OD1 2.64Å
149C97.1Very high96.6Very high9 Ų943.8 Ų43.86%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-103.9111.8179.7-65.20000110.7G131 E132 Y134 M147 L195 C196G131-C149 CarbonylContact C-O 3.52Å; G131-C149 WeakPolarHBondContact CA-O 3.41Å; E132-C149 PolarHBondContact N-O 3.39Å; E132-C149 PolarHBondContact O-N 3.36Å; Y134-C149 HydrophobicContact CE2-CB 4.01Å; M147-C149 VanDerWaalsContact CG-SG 3.55Å; C149-L195 CarbonylContact C-O 3.59Å; C149-L195 WeakPolarHBondContact CA-O 3.2Å; C149-C196 VanDerWaalsContact SG-SG 3.69Å
150L96.6Very high96.4Very high7 Ų740.7 Ų40.74%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-95.2134.8173.8-47.7-173.5000110.4F130 K148 I155 A164 K194 L195 F197F130-L150 HydrophobicContact CB-CB 4.33Å; F130-L150 HydrophobicContact CB-CD2 4.08Å; K148-L150 HydrophobicContact CD-CD2 4.48Å; K148-L150 HydrophobicContact CG-CD2 3.97Å; L150-I155 HydrophobicContact CB-CD1 3.8Å; L150-I155 HydrophobicContact CB-CG1 4.47Å; L150-I155 HydrophobicContact CD1-CD1 4.34Å; L150-A164 HydrophobicContact CD1-CB 4.04Å; L150-K194 CarbonylContact O-C 3.54Å; L150-K194 VanDerWaalsContact O-CA 3.23Å; L150-K194 WeakPolarHBondContact O-CA 3.49Å; L150-L195 HydrophobicContact CB-CB 4.29Å; L150-L195 PolarHBondContact N-O 3.01Å; L150-L195 PolarHBondContact O-N 2.98Å; L150-F197 HydrophobicContact CD1-CE2 3.82Å; L150-F197 HydrophobicContact CG-CE2 4.2Å
151D96.4Very high96.4Very high20 Ų2037.5 Ų37.511%0.10719%0.185CC..EExtended strand (participates in β ladder)trans-85.2122.3178.7-174.6-76000111.4F130 K153 R154 I155 K194F130-D151 PolarHBondContact O-N 2.82Å; D151-K153 VanDerWaalsContact C-N 3.3Å; D151-K153 PolarHBondContact O-N 3.28Å; D151-K153 WeakPolarHBondContact OD1-CA 3.49Å; D151-K153 VanDerWaalsContact OD1-CB 3.27Å; D151-K153 WeakPolarHBondContact OD1-CB 3.31Å; D151-K153 PolarHBondContact OD1-N 3.48Å; D151-R154 HydrophobicContact CB-CB 4Å; D151-R154 HydrophobicContact CB-CG 3.85Å; D151-R154 PolarHBondContact O-N 2.72Å; D151-R154 VanDerWaalsContact O-N 3.15Å; D151-R154 PolarHBondContact OD1-N 3.46Å; D151-I155 WeakPolarHBondContact O-CG1 3.29Å; D151-I155 PolarHBondContact O-N 3.22Å; D151-K194 HydrophobicContact CB-CD 4.36Å; D151-K194 IonicContact OD2-NZ 2.7Å; D151-K194 PolarHBondContact OD2-NZ 2.88Å
152K97.6Very high96.3Very high1 Ų142.1 Ų42.10%0.00421%0.213CC..Hα-helixtrans-64-32.4-176.5-69.9-178.8178.71790112.9K156 H190 T191 D193 L195 L426 Y434K152-K156 WeakPolarHBondContact O-CB 3.46Å; K152-K156 PolarHBondContact O-N 3.47Å; K152-H190 PolarHBondContact NZ-ND1 2.92Å; K152-H190 VanDerWaalsContact NZ-ND1 3.12Å; K152-T191 PolarHBondContact NZ-O 3.28Å; K152-D193 WeakPolarHBondContact CB-O 3.21Å; K152-D193 WeakPolarHBondContact CG-O 3.22Å; K152-D193 PolarHBondContact N-O 2.9Å; K152-L195 VanDerWaalsContact CE-CD2 3.44Å; K152-L195 HydrophobicContact CG-CD2 4.45Å; K152-L195 HydrophobicContact CG-CG 4.22Å; K152-L426 HydrophobicContact CB-CD1 3.71Å; K152-L426 HydrophobicContact CB-CD2 3.85Å; K152-L426 HydrophobicContact CB-CG 4.46Å; K152-L426 HydrophobicContact CD-CD1 4.27Å; K152-Y434 HydrophobicContact CD-CD2 4.1Å; K152-Y434 HydrophobicContact CD-CE2 4.11Å; K152-Y434 HydrophobicContact CG-CE2 4.2Å
153K96.5Very high96.1Very high76 Ų7643.5 Ų43.533%0.3321%0.213SC..Hα-helixtrans-68.4-40.8176.2-62.1-179.8179.5172.80110.4D151 K156 M157 T421 I424 L426D151-K153 VanDerWaalsContact C-N 3.3Å; D151-K153 PolarHBondContact O-N 3.28Å; D151-K153 WeakPolarHBondContact OD1-CA 3.49Å; D151-K153 VanDerWaalsContact OD1-CB 3.27Å; D151-K153 WeakPolarHBondContact OD1-CB 3.31Å; D151-K153 PolarHBondContact OD1-N 3.48Å; K153-K156 PolarHBondContact O-N 2.85Å; K153-M157 WeakPolarHBondContact O-CB 3.25Å; K153-M157 PolarHBondContact O-N 3.41Å; K153-T421 HydrophobicContact CB-CG2 4.2Å; K153-I424 HydrophobicContact CB-CB 4.25Å; K153-I424 HydrophobicContact CB-CG2 4Å; K153-I424 WeakPolarHBondContact CE-O 3.33Å; K153-I424 HydrophobicContact CG-CG2 4.28Å; K153-L426 HydrophobicContact CG-CD1 4.32Å; K153-L426 HydrophobicContact CG-CD2 4.33Å; K153-L426 HydrophobicContact CG-CG 4.14Å
154R94.9Very high96Very high14 Ų1441 Ų415%0.05320%0.203CC..Hα-helixtrans-66.3-39.7176.3-64.8177.2164.6-108.5-20.9112.3D151 M157 K158 F416 D417 D420 T421D151-R154 HydrophobicContact CB-CB 4Å; D151-R154 HydrophobicContact CB-CG 3.85Å; D151-R154 PolarHBondContact O-N 2.72Å; D151-R154 VanDerWaalsContact O-N 3.15Å; D151-R154 PolarHBondContact OD1-N 3.46Å; R154-M157 PolarHBondContact O-N 3.26Å; R154-K158 WeakPolarHBondContact O-CB 3.43Å; R154-K158 PolarHBondContact O-N 3.08Å; R154-F416 VanDerWaalsContact CZ-CD1 3.47Å; R154-D417 PolarHBondContact NH2-O 2.93Å; R154-D420 IonicContact NH2-OD2 3.4Å; R154-T421 HydrophobicContact CG-CG2 3.56Å
155I96.1Very high96.1Very high0 Ų039.8 Ų39.80%020%0.197CC..Hα-helixtrans-58.1-52.3172.6-68.3169.1000109.7F130 L150 D151 M157 K158 Q159 G160 E161 A164 L195 Y434F130-I155 HydrophobicContact CB-CG1 4.19Å; F130-I155 HydrophobicContact CD1-CG1 3.98Å; F130-I155 HydrophobicContact CG-CG1 4.26Å; L150-I155 HydrophobicContact CB-CD1 3.8Å; L150-I155 HydrophobicContact CB-CG1 4.47Å; L150-I155 HydrophobicContact CD1-CD1 4.34Å; D151-I155 WeakPolarHBondContact O-CG1 3.29Å; D151-I155 PolarHBondContact O-N 3.22Å; I155-M157 PolarHBondContact O-N 3.17Å; I155-K158 CarbonylContact O-C 3.58Å; I155-K158 PolarHBondContact O-N 3.25Å; I155-K158 VanDerWaalsContact O-N 3.17Å; I155-Q159 PolarHBondContact O-N 2.86Å; I155-G160 VanDerWaalsContact CG2-C 3.46Å; I155-G160 PolarHBondContact O-N 2.79Å; I155-E161 HydrophobicContact CG2-CB 4.34Å; I155-E161 HydrophobicContact CG2-CG 3.9Å; I155-A164 HydrophobicContact CD1-CB 4.02Å; I155-L195 HydrophobicContact CD1-CD1 3.62Å; I155-L195 HydrophobicContact CD1-CG 4.28Å; I155-Y434 WeakPolarHBondContact CG2-OH 3.36Å
156K96Very high96.1Very high57 Ų5741.2 Ų41.225%0.24821%0.206CC..Hα-helixtrans-59.7-44.1179.6-177.5171.9-178.4172.20112.9K152 K153 K158 Q159 E161 I424 K425 L426 D430K152-K156 WeakPolarHBondContact O-CB 3.46Å; K152-K156 PolarHBondContact O-N 3.47Å; K153-K156 PolarHBondContact O-N 2.85Å; K156-K158 PolarHBondContact O-N 2.87Å; K156-Q159 PolarHBondContact O-N 3.06Å; K156-E161 WeakPolarHBondContact CA-OE1 3.47Å; K156-I424 HydrophobicContact CB-CG2 4.46Å; K156-I424 HydrophobicContact CD-CG2 4.06Å; K156-I424 HydrophobicContact CG-CG2 4.4Å; K156-K425 PolarHBondContact NZ-O 2.87Å; K156-L426 HydrophobicContact CD-CD2 4.41Å; K156-D430 IonicContact NZ-OD1 2.79Å; K156-D430 PolarHBondContact NZ-OD1 3.23Å; K156-D430 IonicContact NZ-OD2 2.69Å; K156-D430 PolarHBondContact NZ-OD2 3.43Å
157M94.1Very high96.1Very high78 Ų7841.4 Ų41.438%0.38421%0.205SC..Hα-helixtrans-54.8-40.3177-170.1176.166.900112.5K153 R154 I155 I424K153-M157 WeakPolarHBondContact O-CB 3.25Å; K153-M157 PolarHBondContact O-N 3.41Å; R154-M157 PolarHBondContact O-N 3.26Å; I155-M157 PolarHBondContact O-N 3.17Å; M157-I424 HydrophobicContact CB-CD1 3.45Å; M157-I424 VanDerWaalsContact CB-CD1 3.45Å; M157-I424 HydrophobicContact CG-CD1 3.66Å; M157-I424 HydrophobicContact SD-CD1 3.99Å
158K93.4Very high96.1Very high105 Ų10543.2 Ų43.246%0.45721%0.212SC..THydrogen-bonded Turntrans-100.15.5-173.7-69.6-178.9-179.6-176.90113.2G129 F130 R154 I155 K156 G160G129-K158 PolarHBondContact O-NZ 3.37Å; F130-K158 HydrophobicContact CD1-CD 4.17Å; F130-K158 HydrophobicContact CE1-CB 3.71Å; F130-K158 HydrophobicContact CE1-CD 3.84Å; F130-K158 HydrophobicContact CE1-CG 4.4Å; R154-K158 WeakPolarHBondContact O-CB 3.43Å; R154-K158 PolarHBondContact O-N 3.08Å; I155-K158 CarbonylContact O-C 3.58Å; I155-K158 PolarHBondContact O-N 3.25Å; I155-K158 VanDerWaalsContact O-N 3.17Å; K156-K158 PolarHBondContact O-N 2.87Å; K158-G160 PolarHBondContact O-N 2.79Å
159Q95.7Very high96.2Very high168 Ų16845 Ų4579%0.78522%0.223SC*.THydrogen-bonded Turntrans53.540.5-176.7-57.4176.9-1500112.6I155 K156 E161I155-Q159 PolarHBondContact O-N 2.86Å; K156-Q159 PolarHBondContact O-N 3.06Å; Q159-E161 VanDerWaalsContact CA-OE2 3.24Å; Q159-E161 WeakPolarHBondContact CA-OE2 3.37Å
160G95.1Very high96.3Very high7 Ų744.9 Ų44.97%0.07222%0.221CC..  trans-938.9-172.900000115.2I155 K158 T162 L163 A164I155-G160 VanDerWaalsContact CG2-C 3.46Å; I155-G160 PolarHBondContact O-N 2.79Å; K158-G160 PolarHBondContact O-N 2.79Å; G160-T162 VanDerWaalsContact C-N 3.34Å; G160-T162 PolarHBondContact O-N 2.73Å; G160-L163 WeakPolarHBondContact O-CB 3.34Å; G160-L163 PolarHBondContact O-N 3.16Å; G160-A164 PolarHBondContact O-N 3.06Å; G160-A164 VanDerWaalsContact O-N 3.09Å
161E96.8Very high96.4Very high38 Ų3844.7 Ų44.718%0.17822%0.22CC..Hα-helixtrans-58.5-46.2-171.2-62.684.517000111.4I155 K156 Q159 L163 A164 L165 L433 Y434I155-E161 HydrophobicContact CG2-CB 4.34Å; I155-E161 HydrophobicContact CG2-CG 3.9Å; K156-E161 WeakPolarHBondContact CA-OE1 3.47Å; Q159-E161 VanDerWaalsContact CA-OE2 3.24Å; Q159-E161 WeakPolarHBondContact CA-OE2 3.37Å; E161-L163 VanDerWaalsContact C-N 3.26Å; E161-L163 PolarHBondContact O-N 2.97Å; E161-A164 PolarHBondContact O-N 2.96Å; E161-L165 WeakPolarHBondContact O-CB 3.32Å; E161-L165 WeakPolarHBondContact O-CG 3.22Å; E161-L165 PolarHBondContact O-N 2.92Å; E161-L433 HydrophobicContact CB-CD1 4.41Å; E161-L433 HydrophobicContact CG-CD1 4.03Å; E161-Y434 WeakPolarHBondContact CG-OH 3.45Å
162T95.4Very high96.4Very high114 Ų11445.3 Ų45.370%0.69923%0.226SC*.Hα-helixtrans-60.6-36.8177.1-56.20000111.6G160 N166G160-T162 VanDerWaalsContact C-N 3.34Å; G160-T162 PolarHBondContact O-N 2.73Å; T162-N166 WeakPolarHBondContact O-CB 3.29Å; T162-N166 PolarHBondContact O-N 2.78Å
163L93.5Very high96.5Very high56 Ų5648.1 Ų48.129%0.29324%0.241SC..Hα-helixtrans-68.6-46.1179.9-165.380000111.2F130 G160 E161 N166 E167 G265 L266F130-L163 HydrophobicContact CD2-CD2 4.42Å; F130-L163 HydrophobicContact CE2-CD2 3.51Å; F130-L163 HydrophobicContact CZ-CD2 4.17Å; G160-L163 WeakPolarHBondContact O-CB 3.34Å; G160-L163 PolarHBondContact O-N 3.16Å; E161-L163 VanDerWaalsContact C-N 3.26Å; E161-L163 PolarHBondContact O-N 2.97Å; L163-N166 PolarHBondContact O-N 2.86Å; L163-E167 PolarHBondContact O-N 3.02Å; L163-G265 WeakPolarHBondContact CD1-O 3.34Å; L163-L266 HydrophobicContact CD1-CD2 3.45Å; L163-L266 VanDerWaalsContact CD1-CD2 3.45Å; L163-L266 HydrophobicContact CD1-CG 4.28Å
164A96.1Very high96.5Very high3 Ų344.5 Ų44.53%0.02523%0.225CC..Hα-helixtrans-64.3-41.2178.700000112.2L150 I155 G160 E161 R168 L195L150-A164 HydrophobicContact CD1-CB 4.04Å; I155-A164 HydrophobicContact CD1-CB 4.02Å; G160-A164 PolarHBondContact O-N 3.06Å; G160-A164 VanDerWaalsContact O-N 3.09Å; E161-A164 PolarHBondContact O-N 2.96Å; A164-R168 PolarHBondContact O-N 3.19Å; A164-L195 HydrophobicContact CB-CD1 3.83Å
165L97.9Very high96.7Very high43 Ų4343.9 Ų43.923%0.22522%0.223CC..Hα-helixtrans-68.1-40175-70.6172.9000111.9E161 R168 I169 Y434 F437E161-L165 WeakPolarHBondContact O-CB 3.32Å; E161-L165 WeakPolarHBondContact O-CG 3.22Å; E161-L165 PolarHBondContact O-N 2.92Å; L165-R168 PolarHBondContact O-N 2.74Å; L165-I169 WeakPolarHBondContact O-CG1 3.18Å; L165-I169 PolarHBondContact O-N 3.25Å; L165-I169 VanDerWaalsContact O-N 3.11Å; L165-Y434 HydrophobicContact CD2-CD1 4.05Å; L165-Y434 HydrophobicContact CD2-CE1 4.49Å; L165-Y434 HydrophobicContact CG-CD1 4.5Å; L165-Y434 HydrophobicContact CG-CE1 4.46Å; L165-F437 HydrophobicContact CD2-CD2 4.26Å
166N97.1Very high96.7Very high35 Ų3546.3 Ų46.319%0.18724%0.238CC..Hα-helixtrans-62.4-45.7176.6-174.266.9000110.9T162 L163 R168 I169 M170 G265 A267T162-N166 WeakPolarHBondContact O-CB 3.29Å; T162-N166 PolarHBondContact O-N 2.78Å; L163-N166 PolarHBondContact O-N 2.86Å; N166-R168 VanDerWaalsContact C-N 3.28Å; N166-R168 PolarHBondContact O-N 3.14Å; N166-I169 PolarHBondContact O-N 2.83Å; N166-M170 VanDerWaalsContact O-CG 3.27Å; N166-M170 WeakPolarHBondContact O-CG 3.24Å; N166-M170 PolarHBondContact O-N 2.95Å; N166-G265 PolarHBondContact ND2-O 3.4Å; N166-A267 PolarHBondContact ND2-O 3.23Å
167E97.6Very high96.4Very high8 Ų845.2 Ų45.24%0.03724%0.243CC..Hα-helixtrans-53.6-46.4176.7-167.8171.8-177.900111.2K148 L163 I169 M170 L171 F197K148-E167 VanDerWaalsContact NZ-CD 3.27Å; K148-E167 IonicContact NZ-OE1 3.44Å; K148-E167 PolarHBondContact NZ-OE1 3.29Å; K148-E167 IonicContact NZ-OE2 3.6Å; K148-E167 PolarHBondContact NZ-OE2 3.05Å; K148-E167 VanDerWaalsContact NZ-OE2 3.08Å; L163-E167 PolarHBondContact O-N 3.02Å; E167-I169 PolarHBondContact O-N 3.24Å; E167-M170 PolarHBondContact O-N 3.09Å; E167-L171 HydrophobicContact CG-CD1 3.9Å; E167-L171 HydrophobicContact CG-CG 4.42Å; E167-L171 VanDerWaalsContact O-CB 3.31Å; E167-L171 WeakPolarHBondContact O-CB 3.43Å; E167-L171 VanDerWaalsContact O-CG 3.3Å; E167-L171 WeakPolarHBondContact O-CG 3.33Å; E167-L171 PolarHBondContact O-N 3.41Å; E167-F197 HydrophobicContact CB-CZ 4.28Å; E167-F197 HydrophobicContact CG-CZ 4.41Å
168R98.3Very high96Very high38 Ų3844.9 Ų44.914%0.14324%0.243CC..Hα-helixtrans-60.5-42.9176.4-168.7-150.954.371.6-6.1113A164 L165 N166 S172 A188 F197 F437A164-R168 PolarHBondContact O-N 3.19Å; L165-R168 PolarHBondContact O-N 2.74Å; N166-R168 VanDerWaalsContact C-N 3.28Å; N166-R168 PolarHBondContact O-N 3.14Å; R168-S172 WeakPolarHBondContact O-CB 3.25Å; R168-S172 PolarHBondContact O-N 3.41Å; R168-A188 HydrophobicContact CG-CB 4.18Å; R168-F197 HydrophobicContact CB-CE1 3.71Å; R168-F197 HydrophobicContact CB-CZ 4.23Å; R168-F197 HydrophobicContact CG-CE1 4.13Å; R168-F437 HydrophobicContact CB-CD2 4.31Å; R168-F437 HydrophobicContact CB-CE2 3.96Å; R168-F437 WeakPolarHBondContact CD-O 3.31Å; R168-F437 HydrophobicContact CG-CD2 4.3Å; R168-F437 HydrophobicContact CG-CE2 4.17Å
169I98.3Very high96Very high69 Ų6940 Ų4035%0.35422%0.222SC..Hα-helixtrans-65.5-49.3178.2-63.3164.2000109.6L165 N166 E167 L171 S172 L173L165-I169 WeakPolarHBondContact O-CG1 3.18Å; L165-I169 PolarHBondContact O-N 3.25Å; L165-I169 VanDerWaalsContact O-N 3.11Å; N166-I169 PolarHBondContact O-N 2.83Å; E167-I169 PolarHBondContact O-N 3.24Å; I169-L171 PolarHBondContact O-N 3.14Å; I169-S172 PolarHBondContact O-N 3.33Å; I169-S172 VanDerWaalsContact O-N 3.09Å; I169-S172 PolarHBondContact O-OG 3.39Å; I169-L173 HydrophobicContact CG2-CD1 4.5Å; I169-L173 WeakPolarHBondContact O-CG 3.41Å; I169-L173 PolarHBondContact O-N 2.94Å; I169-L173 VanDerWaalsContact O-N 3.12Å
170M98.4Very high96Very high5 Ų532.6 Ų32.63%0.02519%0.188CC..Hα-helixtrans-60.7-46-178.9-63.2-60.499.700111.1N166 E167 S172 L173 V174 V241 L264 A267 C268 D269N166-M170 VanDerWaalsContact O-CG 3.27Å; N166-M170 WeakPolarHBondContact O-CG 3.24Å; N166-M170 PolarHBondContact O-N 2.95Å; E167-M170 PolarHBondContact O-N 3.09Å; M170-S172 VanDerWaalsContact C-N 3.31Å; M170-S172 PolarHBondContact O-N 3.08Å; M170-L173 HydrophobicContact CE-CD1 3.86Å; M170-L173 PolarHBondContact O-N 3.02Å; M170-L173 VanDerWaalsContact O-N 3.12Å; M170-V174 WeakPolarHBondContact O-CG2 3.32Å; M170-V174 PolarHBondContact O-N 2.89Å; M170-V174 VanDerWaalsContact O-N 3.17Å; M170-V241 HydrophobicContact SD-CG1 4.18Å; M170-L264 HydrophobicContact CB-CB 3.94Å; M170-L264 HydrophobicContact CB-CD2 4.18Å; M170-A267 HydrophobicContact CB-CB 4.15Å; M170-A267 HydrophobicContact CG-CB 3.8Å; M170-A267 HydrophobicContact SD-CB 4.08Å; M170-C268 VanDerWaalsContact SD-CA 3.58Å; M170-D269 HydrophobicContact CE-CB 4.01Å
171L98.5Very high96.2Very high3 Ų332.3 Ų32.32%0.01619%0.185CC..Hα-helixtrans-57.6-42.3173.5-76.1168.6000111.9E167 I169 L173 V174 S175 M185 F197 L199 L264E167-L171 HydrophobicContact CG-CD1 3.9Å; E167-L171 HydrophobicContact CG-CG 4.42Å; E167-L171 VanDerWaalsContact O-CB 3.31Å; E167-L171 WeakPolarHBondContact O-CB 3.43Å; E167-L171 VanDerWaalsContact O-CG 3.3Å; E167-L171 WeakPolarHBondContact O-CG 3.33Å; E167-L171 PolarHBondContact O-N 3.41Å; I169-L171 PolarHBondContact O-N 3.14Å; L171-L173 VanDerWaalsContact C-N 3.26Å; L171-L173 PolarHBondContact O-N 2.96Å; L171-V174 PolarHBondContact O-N 3.41Å; L171-S175 VanDerWaalsContact O-CB 3.25Å; L171-S175 WeakPolarHBondContact O-CB 3.26Å; L171-S175 PolarHBondContact O-N 3.3Å; L171-S175 PolarHBondContact O-OG 3.38Å; L171-M185 HydrophobicContact CB-CB 3.88Å; L171-M185 HydrophobicContact CB-CE 4.03Å; L171-M185 HydrophobicContact CB-SD 4.07Å; L171-M185 HydrophobicContact CD1-CB 4.22Å; L171-M185 HydrophobicContact CD1-SD 4.17Å; L171-M185 HydrophobicContact CD2-CB 4.28Å; L171-M185 HydrophobicContact CG-CB 4.36Å; L171-F197 HydrophobicContact CD1-CD1 3.79Å; L171-F197 HydrophobicContact CD1-CE1 4.04Å; L171-L199 HydrophobicContact CD1-CD2 3.93Å; L171-L199 HydrophobicContact CD2-CD2 4.32Å; L171-L264 HydrophobicContact CD2-CD1 4.26Å; L171-L264 HydrophobicContact CD2-CD2 4.46Å
172S98.3Very high96.3Very high33 Ų3330.5 Ų30.523%0.23118%0.177CC..Hα-helixtrans-63.4-30.517873.90000113.7R168 I169 M170R168-S172 WeakPolarHBondContact O-CB 3.25Å; R168-S172 PolarHBondContact O-N 3.41Å; I169-S172 PolarHBondContact O-N 3.33Å; I169-S172 VanDerWaalsContact O-N 3.09Å; I169-S172 PolarHBondContact O-OG 3.39Å; M170-S172 VanDerWaalsContact C-N 3.31Å; M170-S172 PolarHBondContact O-N 3.08Å
173L98Very high96.4Very high61 Ų6125.5 Ų25.532%0.31915%0.146SC..Hα-helixtrans-74.9-36.5177.2-65.2175.1000112I169 M170 L171 R239 V241 D269I169-L173 HydrophobicContact CG2-CD1 4.5Å; I169-L173 WeakPolarHBondContact O-CG 3.41Å; I169-L173 PolarHBondContact O-N 2.94Å; I169-L173 VanDerWaalsContact O-N 3.12Å; M170-L173 HydrophobicContact CE-CD1 3.86Å; M170-L173 PolarHBondContact O-N 3.02Å; M170-L173 VanDerWaalsContact O-N 3.12Å; L171-L173 VanDerWaalsContact C-N 3.26Å; L171-L173 PolarHBondContact O-N 2.96Å; L173-R239 VanDerWaalsContact O-CD 3.31Å; L173-R239 WeakPolarHBondContact O-CD 3.5Å; L173-V241 HydrophobicContact CB-CG2 4.22Å; L173-V241 HydrophobicContact CD1-CG2 4.04Å; L173-D269 HydrophobicContact CD1-CB 3.98Å
174V97.8Very high96.6Very high0 Ų022.9 Ų22.90%013%0.132CC..Hα-helixtrans-96.1-13.1-171.6-56.50000114.8M170 L171 T176 I182 H235 M236 V241 L264M170-V174 WeakPolarHBondContact O-CG2 3.32Å; M170-V174 PolarHBondContact O-N 2.89Å; M170-V174 VanDerWaalsContact O-N 3.17Å; L171-V174 PolarHBondContact O-N 3.41Å; V174-T176 VanDerWaalsContact C-N 3.3Å; V174-T176 PolarHBondContact O-N 2.8Å; V174-I182 HydrophobicContact CG2-CG2 4.28Å; V174-H235 PolarHBondContact O-NE2 3.25Å; V174-M236 HydrophobicContact CG1-CG 4.1Å; V174-V241 HydrophobicContact CG1-CB 4.43Å; V174-V241 HydrophobicContact CG1-CG1 4.41Å; V174-V241 HydrophobicContact CG1-CG2 4.22Å; V174-L264 HydrophobicContact CB-CD2 4.41Å; V174-L264 HydrophobicContact CG1-CD2 4.1Å; V174-L264 HydrophobicContact CG2-CD2 3.49Å; V174-L264 VanDerWaalsContact CG2-CD2 3.49Å
175S98.1Very high96.7Very high0 Ų022.7 Ų22.70%013%0.131CC..SBendtrans-82.82.6-169.5-58.70000115.7L171 C184 M185 R444L171-S175 VanDerWaalsContact O-CB 3.25Å; L171-S175 WeakPolarHBondContact O-CB 3.26Å; L171-S175 PolarHBondContact O-N 3.3Å; L171-S175 PolarHBondContact O-OG 3.38Å; S175-C184 WeakPolarHBondContact OG-CB 3.3Å; S175-M185 WeakPolarHBondContact CB-O 3.41Å; S175-M185 PolarHBondContact OG-N 3.25Å; S175-R444 PolarHBondContact O-NE 3.46Å
176T95.7Very high96.8Very high51 Ų5120.7 Ų20.731%0.31312%0.12SC..SBendtrans-99.9150176.156.30000112.2V174 H235 R239 I441 E443V174-T176 VanDerWaalsContact C-N 3.3Å; V174-T176 PolarHBondContact O-N 2.8Å; T176-H235 PolarHBondContact O-CE1 3.28Å; T176-H235 VanDerWaalsContact O-CE1 3.26Å; T176-R239 PolarHBondContact O-NH2 3.16Å; T176-I441 HydrophobicContact CG2-CG2 4.22Å; T176-E443 VanDerWaalsContact CA-OE2 3.28Å; T176-E443 WeakPolarHBondContact CA-OE2 3.15Å; T176-E443 WeakPolarHBondContact CB-OE2 3.44Å
177G89.7Confident96.9Very high35 Ų3519 Ų1936%0.36111%0.112SC..SBendtrans77.828-178.700000114.6C179 E443G177-C179 PolarHBondContact O-N 2.93Å; G177-C179 VanDerWaalsContact O-N 3.14Å; G177-E443 WeakPolarHBondContact CA-OE1 3.42Å; G177-E443 PolarHBondContact N-OE1 2.98Å; G177-E443 PolarHBondContact N-OE2 3.36Å; G177-E443 VanDerWaalsContact N-OE2 3.15Å
178D86.6Confident96.9Very high70 Ų7018.8 Ų18.837%0.37411%0.111SC..  trans34.160.9171.9-80-16.2000115.9P180 Y390 R444D178-P180 WeakPolarHBondContact O-CD 3.41Å; D178-Y390 PolarHBondContact O-OH 3.46Å; D178-R444 IonicContact OD1-CZ 2.95Å; D178-R444 IonicContact OD1-NE 3.44Å; D178-R444 PolarHBondContact OD1-NE 3.09Å; D178-R444 IonicContact OD1-NH2 3.99Å
179C93.1Very high96.9Very high4 Ų417.3 Ų17.33%0.02711%0.105CC..  trans-69122.5170.9-176.20000110.6G177 F181 I182 H235G177-C179 PolarHBondContact O-N 2.93Å; G177-C179 VanDerWaalsContact O-N 3.14Å; C179-F181 PolarHBondContact O-N 3.27Å; C179-I182 HydrophobicContact CB-CD1 4.32Å; C179-H235 HydrophobicContact CB-CB 4.28Å; C179-H235 VanDerWaalsContact CB-CE1 3.5Å; C179-H235 WeakPolarHBondContact CB-CE1 3.4Å
180P96.5Very high96.9Very high12 Ų1216.8 Ų16.88%0.07810%0.102CC..THydrogen-bonded Turntrans-79.2-4.8179.930.4-31.7000113.2D178 R260 Y390 Q392D178-P180 WeakPolarHBondContact O-CD 3.41Å; P180-R260 WeakPolarHBondContact O-CD 3.5Å; P180-R260 VanDerWaalsContact O-CG 3.25Å; P180-R260 WeakPolarHBondContact O-CG 3.32Å; P180-R260 PolarHBondContact O-NE 3.44Å; P180-R260 PolarHBondContact O-NH2 2.97Å; P180-Y390 HydrophobicContact CG-CD2 4.33Å; P180-Y390 HydrophobicContact CG-CE2 4.23Å; P180-Y390 WeakPolarHBondContact CG-O 3.42Å; P180-Q392 HydrophobicContact CB-CG 4.27Å
181F98.6Very high96.9Very high1 Ų117.9 Ų17.90%0.00411%0.108CC..THydrogen-bonded Turntrans-112.112.4-173.5-50.2-63.3000114C179 E228 L231 R260 I261 V389 Y390 Q392C179-F181 PolarHBondContact O-N 3.27Å; F181-E228 WeakPolarHBondContact CB-O 3.32Å; F181-E228 HydrophobicContact CD1-CB 3.59Å; F181-E228 HydrophobicContact CD1-CG 3.98Å; F181-E228 HydrophobicContact CE1-CB 3.72Å; F181-E228 HydrophobicContact CE1-CG 3.59Å; F181-E228 HydrophobicContact CG-CB 4.43Å; F181-E228 WeakPolarHBondContact CG-O 3.46Å; F181-E228 HydrophobicContact CZ-CG 4.45Å; F181-L231 HydrophobicContact CD2-CB 3.33Å; F181-L231 HydrophobicContact CD2-CD1 4.15Å; F181-L231 HydrophobicContact CD2-CG 4.38Å; F181-L231 HydrophobicContact CE2-CB 3.45Å; F181-L231 VanDerWaalsContact CE2-CB 3.45Å; F181-L231 HydrophobicContact CE2-CD1 3.33Å; F181-L231 HydrophobicContact CE2-CG 4.02Å; F181-L231 HydrophobicContact CG-CB 4.23Å; F181-L231 HydrophobicContact CZ-CB 4.42Å; F181-L231 HydrophobicContact CZ-CD1 3.79Å; F181-R260 CarbonylContact O-C 3.59Å; F181-R260 WeakPolarHBondContact O-CA 3.37Å; F181-I261 PolarHBondContact O-N 3.19Å; F181-V389 HydrophobicContact CZ-CG1 4.2Å; F181-V389 WeakPolarHBondContact CZ-O 3.33Å; F181-Y390 HydrophobicContact CE2-CD2 4.05Å; F181-Q392 HydrophobicContact CE1-CG 4.27Å
182I98.6Very high96.8Very high0 Ų022.4 Ų22.40%014%0.138CC..BIsolated β-bridgetrans-131.7138.9175.6-56.4170.7000108.2V174 C179 C184 H235 M236 I261 L264V174-I182 HydrophobicContact CG2-CG2 4.28Å; C179-I182 HydrophobicContact CB-CD1 4.32Å; I182-C184 PolarHBondContact O-N 3.43Å; I182-H235 HydrophobicContact CD1-CB 4.07Å; I182-H235 VanDerWaalsContact CD1-CD2 3.41Å; I182-H235 WeakPolarHBondContact CD1-CD2 3.29Å; I182-M236 HydrophobicContact CB-CE 4.48Å; I182-M236 HydrophobicContact CD1-CE 3.68Å; I182-M236 HydrophobicContact CD1-CG 3.65Å; I182-M236 HydrophobicContact CG1-CE 3.78Å; I182-M236 HydrophobicContact CG2-CE 3.87Å; I182-I261 WeakPolarHBondContact CA-O 3.49Å; I182-L264 HydrophobicContact CG2-CD1 4.39Å
183V98.1Very high96.7Very high9 Ų924.1 Ų24.16%0.05515%0.145CC..  trans-74.7104.1166.9177.90000107.7L199 D200 M202 L252 R260 I261V183-L199 HydrophobicContact CG1-CB 3.85Å; V183-L199 HydrophobicContact CG1-CD1 4.29Å; V183-D200 HydrophobicContact CG1-CB 4.36Å; V183-M202 HydrophobicContact CG2-CG 3.62Å; V183-M202 HydrophobicContact CG2-SD 4.38Å; V183-L252 HydrophobicContact CG2-CD1 4.28Å; V183-R260 HydrophobicContact CG2-CB 3.76Å; V183-I261 PolarHBondContact N-O 2.79Å
184C98.1Very high96.6Very high0 Ų024.3 Ų24.30%014%0.143CC..  trans-101.7163.3-174.8-71.30000111.7S175 I182 L199 D200 R444S175-C184 WeakPolarHBondContact OG-CB 3.3Å; I182-C184 PolarHBondContact O-N 3.43Å; C184-L199 VanDerWaalsContact O-CA 3.26Å; C184-L199 WeakPolarHBondContact O-CA 3.09Å; C184-D200 WeakPolarHBondContact CB-OD2 3.49Å; C184-D200 PolarHBondContact N-OD2 3.26Å; C184-D200 PolarHBondContact O-N 3.48Å; C184-R444 VanDerWaalsContact CB-NH1 3.27Å; C184-R444 PolarHBondContact SG-NH2 2.83Å; C184-R444 VanDerWaalsContact SG-NH2 3.35Å
185M98.6Very high96.7Very high0 Ų024.3 Ų24.30%014%0.143CC..EExtended strand (participates in β ladder)trans-100.3133.4-176.8-178178.569.700110.9L171 S175 Y187 A188 F197 I198 L199 L439 I441L171-M185 HydrophobicContact CB-CB 3.88Å; L171-M185 HydrophobicContact CB-CE 4.03Å; L171-M185 HydrophobicContact CB-SD 4.07Å; L171-M185 HydrophobicContact CD1-CB 4.22Å; L171-M185 HydrophobicContact CD1-SD 4.17Å; L171-M185 HydrophobicContact CD2-CB 4.28Å; L171-M185 HydrophobicContact CG-CB 4.36Å; S175-M185 WeakPolarHBondContact CB-O 3.41Å; S175-M185 PolarHBondContact OG-N 3.25Å; M185-Y187 WeakPolarHBondContact CG-O 3.38Å; M185-A188 HydrophobicContact SD-CB 3.8Å; M185-F197 HydrophobicContact SD-CD1 3.75Å; M185-F197 HydrophobicContact SD-CE1 4.37Å; M185-I198 WeakPolarHBondContact CA-O 3.24Å; M185-L199 HydrophobicContact CB-CD2 3.81Å; M185-L199 HydrophobicContact CG-CD2 4.19Å; M185-L439 HydrophobicContact CE-CD2 3.83Å; M185-I441 HydrophobicContact CE-CD1 4.19Å; M185-I441 HydrophobicContact CE-CG1 4.32Å; M185-I441 VanDerWaalsContact O-CG1 3.28Å; M185-I441 WeakPolarHBondContact O-CG1 3.24Å
186T98.6Very high96.7Very high1 Ų124.3 Ų24.31%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-95.2-43.9167.2-56.10000110.6Y145 I198 I441 R444Y145-T186 WeakPolarHBondContact CE1-OG1 3.38Å; Y145-T186 PolarHBondContact OH-OG1 3.45Å; T186-I198 PolarHBondContact N-O 3.07Å; T186-I441 PolarHBondContact O-N 3.24Å; T186-R444 HydrophobicContact CG2-CB 3.74Å
187Y98.8Very high96.8Very high0 Ų021.9 Ų21.90%013%0.128CC..EExtended strand (participates in β ladder)trans-137.3150.5-177.6-43.1-80.2000112.3L114 F119 K138 Y145 M185 I198 L439 V440 W445 E448L114-Y187 VanDerWaalsContact CD1-CB 3.44Å; L114-Y187 HydrophobicContact CD1-CD1 3.6Å; L114-Y187 HydrophobicContact CD1-CD2 4.08Å; L114-Y187 HydrophobicContact CD1-CE1 4.36Å; L114-Y187 HydrophobicContact CD1-CG 3.44Å; L114-Y187 VanDerWaalsContact CD1-CG 3.44Å; F119-Y187 HydrophobicContact CZ-CD2 4.43Å; K138-Y187 HydrophobicContact CD-CD2 4.5Å; K138-Y187 HydrophobicContact CD-CE2 3.62Å; K138-Y187 WeakPolarHBondContact CE-OH 3.48Å; Y145-Y187 HydrophobicContact CE2-CE2 4.25Å; M185-Y187 WeakPolarHBondContact CG-O 3.38Å; Y187-I198 HydrophobicContact CD2-CB 3.71Å; Y187-I198 HydrophobicContact CD2-CG1 4Å; Y187-I198 HydrophobicContact CD2-CG2 3.68Å; Y187-I198 HydrophobicContact CE2-CG2 4.32Å; Y187-I198 HydrophobicContact CG-CB 4.33Å; Y187-I198 HydrophobicContact CG-CG1 4.47Å; Y187-I198 PolarHBondContact N-O 3.04Å; Y187-I198 PolarHBondContact O-N 3.34Å; Y187-L439 CarbonylContact C-O 3.56Å; Y187-L439 WeakPolarHBondContact CA-O 3.44Å; Y187-V440 HydrophobicContact CD1-CB 4.36Å; Y187-V440 HydrophobicContact CD1-CG1 3.89Å; Y187-V440 HydrophobicContact CD1-CG2 4.08Å; Y187-V440 HydrophobicContact CE1-CG1 3.89Å; Y187-W445 HydrophobicContact CE1-CB 4.17Å; Y187-W445 AromaticContact CE1-CD1 3.92Å; Y187-W445 HydrophobicContact CE1-CG 4.4Å; Y187-W445 VanDerWaalsContact OH-CD1 3.27Å; Y187-E448 PolarHBondContact OH-OE1 2.75Å; Y187-E448 PolarHBondContact OH-OE2 3Å
188A98.8Very high97.3Very high3 Ų320.2 Ų20.23%0.02511%0.111CC..EExtended strand (participates in β ladder)trans-127.1137.6160.900000108.8R168 M185 C196 F437 P438 L439R168-A188 HydrophobicContact CG-CB 4.18Å; M185-A188 HydrophobicContact SD-CB 3.8Å; A188-C196 WeakPolarHBondContact CA-O 3.22Å; A188-F437 HydrophobicContact CB-CD1 4.2Å; A188-F437 HydrophobicContact CB-CE1 3.81Å; A188-F437 HydrophobicContact CB-CZ 4.32Å; A188-F437 WeakPolarHBondContact CB-O 3.42Å; A188-P438 CarbonylContact O-C 3.3Å; A188-P438 WeakPolarHBondContact O-CA 3.31Å; A188-L439 HydrophobicContact CB-CB 4.28Å; A188-L439 PolarHBondContact N-O 3.31Å; A188-L439 PolarHBondContact O-N 2.99Å
189F98.8Very high97.8Very high6 Ų617.5 Ų17.53%0.02610%0.096CC..EExtended strand (participates in β ladder)trans-151.6172.1171.969.1-83.4000109.8L114 M116 F119 M147 C196 I198 F437L114-F189 HydrophobicContact CB-CB 4.04Å; L114-F189 HydrophobicContact CB-CD1 3.82Å; L114-F189 HydrophobicContact CB-CD2 4.39Å; L114-F189 HydrophobicContact CB-CE1 4.36Å; L114-F189 HydrophobicContact CB-CG 3.83Å; L114-F189 HydrophobicContact CD1-CD1 4.15Å; L114-F189 WeakPolarHBondContact O-CD2 3.41Å; M116-F189 HydrophobicContact CG-CE2 4.4Å; M116-F189 HydrophobicContact SD-CE2 3.94Å; M116-F189 HydrophobicContact SD-CZ 3.89Å; F119-F189 HydrophobicContact CD2-CE1 4.28Å; F119-F189 HydrophobicContact CD2-CZ 4.2Å; F119-F189 AromaticContact CE2-CE1 3.68Å; F119-F189 HydrophobicContact CE2-CE1 3.68Å; F119-F189 HydrophobicContact CE2-CZ 4.02Å; F119-F189 HydrophobicContact CZ-CE1 4.36Å; M147-F189 HydrophobicContact CE-CZ 4.34Å; F189-C196 HydrophobicContact CD1-CB 3.94Å; F189-C196 HydrophobicContact CD2-CB 4.18Å; F189-C196 HydrophobicContact CE1-CB 3.58Å; F189-C196 HydrophobicContact CE2-CB 3.83Å; F189-C196 HydrophobicContact CG-CB 4.22Å; F189-C196 HydrophobicContact CZ-CB 3.52Å; F189-C196 PolarHBondContact N-O 2.93Å; F189-C196 PolarHBondContact O-N 3.47Å; F189-I198 HydrophobicContact CD1-CG1 4.5Å; F189-I198 HydrophobicContact CE1-CD1 4.02Å; F189-I198 HydrophobicContact CE1-CG1 4.02Å; F189-F437 VanDerWaalsContact O-CE1 3.26Å; F189-F437 WeakPolarHBondContact O-CE1 3.31Å
190H98.3Very high98Very high59 Ų5918.5 Ų18.527%0.27310%0.101SC..EExtended strand (participates in β ladder)trans-141.9150.817774.186000111.9K152 K194 L195 F437K152-H190 PolarHBondContact NZ-ND1 2.92Å; K152-H190 VanDerWaalsContact NZ-ND1 3.12Å; H190-K194 VanDerWaalsContact CA-O 3.3Å; H190-K194 WeakPolarHBondContact CA-O 3.32Å; H190-K194 VanDerWaalsContact CB-O 3.25Å; H190-K194 WeakPolarHBondContact CB-O 3.14Å; H190-L195 HydrophobicContact CB-CD2 3.69Å; H190-F437 HydrophobicContact CB-CD1 4.25Å
191T96.9Very high97.9Very high27 Ų2720.4 Ų20.417%0.16611%0.111CC..  trans-98-178167.166.10000108.7M116 K152 D193 K194M116-T191 HydrophobicContact CG-CG2 3.82Å; K152-T191 PolarHBondContact NZ-O 3.28Å; T191-D193 PolarHBondContact O-N 2.95Å; T191-D193 PolarHBondContact OG1-N 2.97Å; T191-D193 PolarHBondContact OG1-OD1 3.28Å; T191-K194 PolarHBondContact N-O 3.13Å; T191-K194 WeakPolarHBondContact OG1-CB 3.35Å; T191-K194 PolarHBondContact OG1-N 3.38Å
192P96.2Very high97.6Very high99 Ų9921.1 Ų21.164%0.64311%0.114SC*.SBendtrans-56.6-28.9172.5-29.138.4000114L426 Q431P192-L426 WeakPolarHBondContact O-CD1 3.24Å; P192-Q431 PolarHBondContact O-NE2 3.04Å
193D96.2Very high97Very high69 Ų6923 Ų2337%0.36912%0.124SC..SBendtrans-122.2-14.4-17067-39.9000115.1K152 T191K152-D193 WeakPolarHBondContact CB-O 3.21Å; K152-D193 WeakPolarHBondContact CG-O 3.22Å; K152-D193 PolarHBondContact N-O 2.9Å; T191-D193 PolarHBondContact O-N 2.95Å; T191-D193 PolarHBondContact OG1-N 2.97Å; T191-D193 PolarHBondContact OG1-OD1 3.28Å
194K97.4Very high96.5Very high64 Ų6422.7 Ų22.728%0.27812%0.123SC..EExtended strand (participates in β ladder)trans-124.5149.1-178.9-52.8-64.5-177.5-179.10112.7L150 D151 H190 T191L150-K194 CarbonylContact O-C 3.54Å; L150-K194 VanDerWaalsContact O-CA 3.23Å; L150-K194 WeakPolarHBondContact O-CA 3.49Å; D151-K194 HydrophobicContact CB-CD 4.36Å; D151-K194 IonicContact OD2-NZ 2.7Å; D151-K194 PolarHBondContact OD2-NZ 2.88Å; H190-K194 VanDerWaalsContact CA-O 3.3Å; H190-K194 WeakPolarHBondContact CA-O 3.32Å; H190-K194 VanDerWaalsContact CB-O 3.25Å; H190-K194 WeakPolarHBondContact CB-O 3.14Å; T191-K194 PolarHBondContact N-O 3.13Å; T191-K194 WeakPolarHBondContact OG1-CB 3.35Å; T191-K194 PolarHBondContact OG1-N 3.38Å
195L98.6Very high96.1Very high0 Ų023.4 Ų23.40%013%0.13CC..EExtended strand (participates in β ladder)trans-103.7130.6160.1-57.6178.9000108.2C149 L150 K152 I155 A164 H190 Y434 F437C149-L195 CarbonylContact C-O 3.59Å; C149-L195 WeakPolarHBondContact CA-O 3.2Å; L150-L195 HydrophobicContact CB-CB 4.29Å; L150-L195 PolarHBondContact N-O 3.01Å; L150-L195 PolarHBondContact O-N 2.98Å; K152-L195 VanDerWaalsContact CE-CD2 3.44Å; K152-L195 HydrophobicContact CG-CD2 4.45Å; K152-L195 HydrophobicContact CG-CG 4.22Å; I155-L195 HydrophobicContact CD1-CD1 3.62Å; I155-L195 HydrophobicContact CD1-CG 4.28Å; A164-L195 HydrophobicContact CB-CD1 3.83Å; H190-L195 HydrophobicContact CB-CD2 3.69Å; L195-Y434 HydrophobicContact CD1-CD1 3.82Å; L195-Y434 HydrophobicContact CD1-CE1 3.58Å; L195-Y434 HydrophobicContact CD2-CD1 3.71Å; L195-Y434 HydrophobicContact CD2-CD2 4.33Å; L195-Y434 HydrophobicContact CD2-CE1 4.22Å; L195-Y434 HydrophobicContact CD2-CG 3.76Å; L195-Y434 HydrophobicContact CG-CD1 4.36Å; L195-Y434 HydrophobicContact CG-CE1 4.41Å; L195-F437 HydrophobicContact CB-CE1 3.99Å; L195-F437 HydrophobicContact CB-CE2 4.16Å; L195-F437 HydrophobicContact CB-CZ 3.73Å; L195-F437 HydrophobicContact CD1-CD2 4.27Å; L195-F437 HydrophobicContact CD1-CE2 3.94Å; L195-F437 HydrophobicContact CD1-CZ 4.36Å; L195-F437 HydrophobicContact CD2-CD1 4.1Å; L195-F437 HydrophobicContact CD2-CD2 4.12Å; L195-F437 HydrophobicContact CD2-CE1 4.26Å; L195-F437 HydrophobicContact CD2-CE2 4.29Å; L195-F437 HydrophobicContact CD2-CG 4.03Å; L195-F437 HydrophobicContact CD2-CZ 4.36Å; L195-F437 HydrophobicContact CG-CE2 4.37Å; L195-F437 HydrophobicContact CG-CZ 4.38Å
196C98.6Very high95.7Very high0 Ų024.9 Ų24.90%014%0.138CC..EExtended strand (participates in β ladder)trans-121.9125.1-174.2-60.80000110.5K148 C149 A188 F189K148-C196 WeakPolarHBondContact O-CA 3.44Å; C149-C196 VanDerWaalsContact SG-SG 3.69Å; A188-C196 WeakPolarHBondContact CA-O 3.22Å; F189-C196 HydrophobicContact CD1-CB 3.94Å; F189-C196 HydrophobicContact CD2-CB 4.18Å; F189-C196 HydrophobicContact CE1-CB 3.58Å; F189-C196 HydrophobicContact CE2-CB 3.83Å; F189-C196 HydrophobicContact CG-CB 4.22Å; F189-C196 HydrophobicContact CZ-CB 3.52Å; F189-C196 PolarHBondContact N-O 2.93Å; F189-C196 PolarHBondContact O-N 3.47Å
197F98.7Very high95.5Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-106.9133.4168.3-57-91.9000109.4M147 K148 L150 E167 R168 L171 M185 L199 F437M147-F197 CarbonylContact C-O 3.54Å; M147-F197 WeakPolarHBondContact CA-O 3.45Å; K148-F197 HydrophobicContact CB-CB 4.27Å; K148-F197 HydrophobicContact CB-CD2 4.46Å; K148-F197 HydrophobicContact CG-CD2 4.41Å; K148-F197 PolarHBondContact N-O 3.1Å; K148-F197 PolarHBondContact O-N 2.97Å; L150-F197 HydrophobicContact CD1-CE2 3.82Å; L150-F197 HydrophobicContact CG-CE2 4.2Å; E167-F197 HydrophobicContact CB-CZ 4.28Å; E167-F197 HydrophobicContact CG-CZ 4.41Å; R168-F197 HydrophobicContact CB-CE1 3.71Å; R168-F197 HydrophobicContact CB-CZ 4.23Å; R168-F197 HydrophobicContact CG-CE1 4.13Å; L171-F197 HydrophobicContact CD1-CD1 3.79Å; L171-F197 HydrophobicContact CD1-CE1 4.04Å; M185-F197 HydrophobicContact SD-CD1 3.75Å; M185-F197 HydrophobicContact SD-CE1 4.37Å; F197-L199 HydrophobicContact CB-CD1 4.26Å; F197-L199 HydrophobicContact CB-CD2 3.88Å; F197-L199 HydrophobicContact CB-CG 3.92Å; F197-F437 HydrophobicContact CD1-CZ 4.17Å; F197-F437 HydrophobicContact CD2-CZ 4.32Å; F197-F437 AromaticContact CE1-CE2 3.96Å; F197-F437 HydrophobicContact CE1-CE2 3.96Å; F197-F437 AromaticContact CE1-CZ 3.61Å; F197-F437 HydrophobicContact CE1-CZ 3.61Å; F197-F437 HydrophobicContact CE2-CE2 4.27Å; F197-F437 AromaticContact CE2-CZ 3.77Å; F197-F437 HydrophobicContact CE2-CZ 3.77Å; F197-F437 AromaticContact CZ-CE2 3.6Å; F197-F437 HydrophobicContact CZ-CE2 3.6Å; F197-F437 AromaticContact CZ-CZ 3.4Å; F197-F437 HydrophobicContact CZ-CZ 3.4Å
198I98.7Very high95.1Very high0 Ų029.2 Ų29.20%016%0.158CC..EExtended strand (participates in β ladder)trans-103.6111.4171.5-55.1-60.4000108F119 Y145 M147 M185 T186 Y187 F189F119-I198 HydrophobicContact CD1-CD1 4.11Å; F119-I198 HydrophobicContact CE1-CD1 3.64Å; F119-I198 HydrophobicContact CE1-CG1 3.91Å; F119-I198 HydrophobicContact CE1-CG2 4.18Å; F119-I198 HydrophobicContact CE2-CD1 4.12Å; F119-I198 HydrophobicContact CE2-CG1 4.32Å; F119-I198 HydrophobicContact CZ-CD1 3.67Å; F119-I198 HydrophobicContact CZ-CG1 3.63Å; Y145-I198 HydrophobicContact CD1-CG2 3.55Å; Y145-I198 HydrophobicContact CD2-CG2 3.72Å; Y145-I198 HydrophobicContact CE1-CG2 4.13Å; Y145-I198 HydrophobicContact CE2-CG2 4.28Å; Y145-I198 HydrophobicContact CG-CG2 3.32Å; M147-I198 HydrophobicContact CB-CD1 3.96Å; M147-I198 HydrophobicContact CE-CD1 3.79Å; M147-I198 HydrophobicContact CG-CD1 3.79Å; M185-I198 WeakPolarHBondContact CA-O 3.24Å; T186-I198 PolarHBondContact N-O 3.07Å; Y187-I198 HydrophobicContact CD2-CB 3.71Å; Y187-I198 HydrophobicContact CD2-CG1 4Å; Y187-I198 HydrophobicContact CD2-CG2 3.68Å; Y187-I198 HydrophobicContact CE2-CG2 4.32Å; Y187-I198 HydrophobicContact CG-CB 4.33Å; Y187-I198 HydrophobicContact CG-CG1 4.47Å; Y187-I198 PolarHBondContact N-O 3.04Å; Y187-I198 PolarHBondContact O-N 3.34Å; F189-I198 HydrophobicContact CD1-CG1 4.5Å; F189-I198 HydrophobicContact CE1-CD1 4.02Å; F189-I198 HydrophobicContact CE1-CG1 4.02Å
199L98.3Very high94.7Very high13 Ų1331.4 Ų31.47%0.06817%0.166CC..EExtended strand (participates in β ladder)trans-122.7160.3-166.7-55.8178.9000111.1Y145 A146 K148 L171 V183 C184 M185 F197 L201Y145-L199 WeakPolarHBondContact CD1-O 3.36Å; A146-L199 HydrophobicContact CB-CB 4.4Å; A146-L199 PolarHBondContact N-O 2.99Å; A146-L199 PolarHBondContact O-N 2.63Å; K148-L199 HydrophobicContact CB-CD1 4.05Å; K148-L199 HydrophobicContact CD-CD1 4.27Å; L171-L199 HydrophobicContact CD1-CD2 3.93Å; L171-L199 HydrophobicContact CD2-CD2 4.32Å; V183-L199 HydrophobicContact CG1-CB 3.85Å; V183-L199 HydrophobicContact CG1-CD1 4.29Å; C184-L199 VanDerWaalsContact O-CA 3.26Å; C184-L199 WeakPolarHBondContact O-CA 3.09Å; M185-L199 HydrophobicContact CB-CD2 3.81Å; M185-L199 HydrophobicContact CG-CD2 4.19Å; F197-L199 HydrophobicContact CB-CD1 4.26Å; F197-L199 HydrophobicContact CB-CD2 3.88Å; F197-L199 HydrophobicContact CB-CG 3.92Å; L199-L201 PolarHBondContact O-N 3.32Å
200D96.8Very high94.3Very high26 Ų2631.6 Ų31.614%0.13917%0.167CC..  trans-51.5134.2169.9-62-33.3000111V183 C184 M202 R260 R444V183-D200 HydrophobicContact CG1-CB 4.36Å; C184-D200 WeakPolarHBondContact CB-OD2 3.49Å; C184-D200 PolarHBondContact N-OD2 3.26Å; C184-D200 PolarHBondContact O-N 3.48Å; D200-M202 PolarHBondContact O-N 3.44Å; D200-R260 IonicContact OD2-NH1 2.82Å; D200-R260 PolarHBondContact OD2-NH1 3.24Å; D200-R444 VanDerWaalsContact CG-NH1 3.34Å; D200-R444 IonicContact OD1-NH1 2.68Å; D200-R444 PolarHBondContact OD1-NH1 3.29Å; D200-R444 IonicContact OD2-NH1 3.25Å; D200-R444 PolarHBondContact OD2-NH1 2.82Å
201L93.9Very high94Very high52 Ų5229.4 Ų29.427%0.27216%0.157SC..  trans-79.7118.1-178178.761.6000110.7I125 M144 A146 L199I125-L201 HydrophobicContact CD1-CD1 3.71Å; M144-L201 HydrophobicContact CB-CD2 4.11Å; M144-L201 HydrophobicContact CE-CD2 4.29Å; A146-L201 HydrophobicContact CB-CD1 4.17Å; L199-L201 PolarHBondContact O-N 3.32Å
202M92.3Very high93.7Very high15 Ų1531.7 Ų31.77%0.07417%0.174CC..  trans-116.3108.5173.6-56.1-58.6-7100108.9V183 D200 L252 L253 D254 R260V183-M202 HydrophobicContact CG2-CG 3.62Å; V183-M202 HydrophobicContact CG2-SD 4.38Å; D200-M202 PolarHBondContact O-N 3.44Å; M202-L252 HydrophobicContact CB-CB 3.73Å; M202-L252 HydrophobicContact CB-CD1 3.85Å; M202-L252 HydrophobicContact CB-CG 4.44Å; M202-L252 HydrophobicContact CE-CB 4.13Å; M202-L252 VanDerWaalsContact CE-O 3.31Å; M202-L252 WeakPolarHBondContact CE-O 3.42Å; M202-L252 HydrophobicContact CG-CB 3.93Å; M202-L252 HydrophobicContact CG-CD1 4.05Å; M202-L253 VanDerWaalsContact CE-C 3.41Å; M202-D254 HydrophobicContact CE-CB 3.97Å; M202-D254 HydrophobicContact SD-CB 4.34Å; M202-R260 HydrophobicContact CE-CB 3.78Å; M202-R260 HydrophobicContact CE-CG 3.54Å; M202-R260 HydrophobicContact SD-CB 4.26Å; M202-R260 VanDerWaalsContact SD-CD 3.53Å; M202-R260 HydrophobicContact SD-CG 3.91Å
203N85.8Confident93.3Very high40 Ų4033 Ų3321%0.21417%0.172CC..  trans-109.84.4-172.262.3-11.5000113.7E255 V405N203-E255 WeakPolarHBondContact OD1-CA 3.44Å; N203-E255 WeakPolarHBondContact OD1-CB 3.46Å; N203-E255 PolarHBondContact OD1-N 3.34Å; N203-V405 HydrophobicContact CB-CG1 3.88Å; N203-V405 WeakPolarHBondContact O-CA 3.41Å
204G88.4Confident93Very high3 Ų333.9 Ų33.93%0.03117%0.174CC..SBendtrans-93.46.8-177.700000114.7H210 L253G204-H210 PolarHBondContact O-NE2 2.99Å; G204-L253 WeakPolarHBondContact CA-O 3.47Å; G204-L253 PolarHBondContact N-O 2.87Å
205G88.6Confident92.8Very high15 Ų1532.2 Ų32.216%0.15518%0.175CC..  trans75.2-168.9-174.700000113.3L252 L253G205-L252 CarbonylContact O-C 3.57Å; G205-L252 WeakPolarHBondContact O-CA 3.49Å; G205-L253 PolarHBondContact O-N 3.25Å
206D91.3Very high92.7Very high30 Ų3036 Ų3616%0.1620%0.197CC..BIsolated β-bridgetrans-112.1158.6-178.87072000112.8H208 Y209 H210 I251 L252D206-H208 PolarHBondContact O-N 2.86Å; D206-H208 VanDerWaalsContact OD1-CA 3.27Å; D206-H208 WeakPolarHBondContact OD1-CA 3.47Å; D206-H208 WeakPolarHBondContact OD1-CB 3.36Å; D206-H208 PolarHBondContact OD1-N 2.85Å; D206-Y209 WeakPolarHBondContact O-CB 3.48Å; D206-Y209 PolarHBondContact O-N 3.1Å; D206-Y209 PolarHBondContact OD1-N 3.31Å; D206-H210 PolarHBondContact O-CD2 3.33Å; D206-H210 PolarHBondContact O-N 2.77Å; D206-H210 VanDerWaalsContact O-N 3.13Å; D206-I251 CarbonylContact C-O 3.48Å; D206-I251 WeakPolarHBondContact CA-O 3.45Å; D206-L252 HydrophobicContact CB-CD2 3.65Å
207L93.8Very high92.7Very high0 Ų036.3 Ų36.30%020%0.199CC..Hα-helixtrans-69.2-18.2-176.1-154.968.9000112.6L211 F217 Y225 P248 I251 L253 L312L207-L211 WeakPolarHBondContact O-CB 3.49Å; L207-L211 PolarHBondContact O-N 2.97Å; L207-F217 HydrophobicContact CD1-CE2 4.44Å; L207-F217 HydrophobicContact CD1-CZ 4.22Å; L207-Y225 HydrophobicContact CD1-CD1 4.32Å; L207-Y225 HydrophobicContact CD1-CD2 4.25Å; L207-Y225 HydrophobicContact CD1-CE1 4.05Å; L207-Y225 HydrophobicContact CD1-CE2 3.96Å; L207-Y225 HydrophobicContact CD1-CG 4.41Å; L207-Y225 HydrophobicContact CD2-CG 4.43Å; L207-P248 HydrophobicContact CB-CB 4.17Å; L207-P248 WeakPolarHBondContact CB-O 3.39Å; L207-P248 PolarHBondContact N-O 3.3Å; L207-I251 HydrophobicContact CB-CB 3.99Å; L207-I251 HydrophobicContact CB-CG2 4.22Å; L207-I251 HydrophobicContact CD2-CB 4.32Å; L207-I251 HydrophobicContact CD2-CG2 4.09Å; L207-I251 PolarHBondContact N-O 3.31Å; L207-L253 HydrophobicContact CB-CD1 4.31Å; L207-L253 HydrophobicContact CD1-CD1 3.96Å; L207-L312 HydrophobicContact CD2-CD1 3.87Å; L207-L312 HydrophobicContact CD2-CD2 3.64Å; L207-L312 HydrophobicContact CD2-CG 4.4Å; L207-L312 HydrophobicContact CG-CD2 3.97Å
208H91.9Very high92.7Very high92 Ų9239 Ų3943%0.42622%0.217SC..Hα-helixtrans-71.5-43.6172173.143.6000111.6D206 S212 P248 A249D206-H208 PolarHBondContact O-N 2.86Å; D206-H208 VanDerWaalsContact OD1-CA 3.27Å; D206-H208 WeakPolarHBondContact OD1-CA 3.47Å; D206-H208 WeakPolarHBondContact OD1-CB 3.36Å; D206-H208 PolarHBondContact OD1-N 2.85Å; H208-S212 PolarHBondContact O-N 2.83Å; H208-S212 VanDerWaalsContact O-N 3.17Å; H208-P248 HydrophobicContact CB-CB 4.04Å; H208-P248 PolarHBondContact N-O 3.39Å; H208-A249 HydrophobicContact CB-CB 3.88Å
209Y89.4Confident92.6Very high49 Ų4940.7 Ų40.719%0.19223%0.225CC..Hα-helixtrans-59-51.5172.3171.6-97.7000110.8D206 L211 S212 Q213 A407D206-Y209 WeakPolarHBondContact O-CB 3.48Å; D206-Y209 PolarHBondContact O-N 3.1Å; D206-Y209 PolarHBondContact OD1-N 3.31Å; Y209-L211 VanDerWaalsContact C-N 3.34Å; Y209-L211 PolarHBondContact O-N 2.96Å; Y209-S212 WeakPolarHBondContact O-CA 3.47Å; Y209-S212 WeakPolarHBondContact O-CB 3.19Å; Y209-S212 PolarHBondContact O-N 3.22Å; Y209-S212 PolarHBondContact O-OG 2.83Å; Y209-Q213 HydrophobicContact CD1-CG 4.29Å; Y209-Q213 HydrophobicContact CD2-CG 4.25Å; Y209-Q213 HydrophobicContact CE1-CG 3.8Å; Y209-Q213 HydrophobicContact CE2-CG 3.77Å; Y209-Q213 PolarHBondContact O-N 2.91Å; Y209-A407 HydrophobicContact CD2-CB 3.89Å; Y209-A407 WeakPolarHBondContact CD2-O 3.35Å; Y209-A407 VanDerWaalsContact CE2-O 3.28Å; Y209-A407 WeakPolarHBondContact CE2-O 3.46Å; Y209-A407 HydrophobicContact CG-CB 3.84Å
210H90.9Very high92.6Very high10 Ų1048.3 Ų48.35%0.04626%0.258CS..Hα-helixtrans-61.8-40.4-179.6-73.1-62.2000112.7G204 D206 S212 Q213 H214 F217 L398G204-H210 PolarHBondContact O-NE2 2.99Å; D206-H210 PolarHBondContact O-CD2 3.33Å; D206-H210 PolarHBondContact O-N 2.77Å; D206-H210 VanDerWaalsContact O-N 3.13Å; H210-S212 PolarHBondContact O-N 3.11Å; H210-Q213 PolarHBondContact O-N 3.44Å; H210-H214 WeakPolarHBondContact O-CB 3.34Å; H210-H214 PolarHBondContact O-N 2.94Å; H210-F217 HydrophobicContact CB-CZ 4.5Å; H210-L398 HydrophobicContact CB-CD1 4.09Å
211L92.4Very high92.6Very high14 Ų1449.3 Ų49.37%0.07326%0.262CS..Hα-helixtrans-58.9-32.1172.5-177.967000112.6L207 Y209 G215 F217 K311 L312L207-L211 WeakPolarHBondContact O-CB 3.49Å; L207-L211 PolarHBondContact O-N 2.97Å; Y209-L211 VanDerWaalsContact C-N 3.34Å; Y209-L211 PolarHBondContact O-N 2.96Å; L211-G215 CarbonylContact O-C 3.49Å; L211-G215 VanDerWaalsContact O-CA 3.27Å; L211-G215 WeakPolarHBondContact O-CA 3.46Å; L211-G215 PolarHBondContact O-N 3.45Å; L211-F217 HydrophobicContact CB-CE2 4.21Å; L211-F217 HydrophobicContact CD1-CD2 3.93Å; L211-F217 HydrophobicContact CD1-CE2 3.95Å; L211-K311 HydrophobicContact CD2-CD 4.49Å; L211-K311 HydrophobicContact CD2-CG 3.97Å; L211-L312 HydrophobicContact CD1-CD2 4.48Å; L211-L312 HydrophobicContact CD2-CD2 4.48Å
212S89.2Confident92.8Very high74 Ų7446.8 Ų46.852%0.51725%0.249SC..Hα-helixtrans-76.1-33.5178.279.40000113.4H208 Y209 H210H208-S212 PolarHBondContact O-N 2.83Å; H208-S212 VanDerWaalsContact O-N 3.17Å; Y209-S212 WeakPolarHBondContact O-CA 3.47Å; Y209-S212 WeakPolarHBondContact O-CB 3.19Å; Y209-S212 PolarHBondContact O-N 3.22Å; Y209-S212 PolarHBondContact O-OG 2.83Å; H210-S212 PolarHBondContact O-N 3.11Å
213Q88.8Confident93.1Very high126 Ų12649.5 Ų49.559%0.58926%0.258SS*.Hα-helixtrans-87.5-50-178.7-61.9-53.8-52.400112.3Y209 H210 G215Y209-Q213 HydrophobicContact CD1-CG 4.29Å; Y209-Q213 HydrophobicContact CD2-CG 4.25Å; Y209-Q213 HydrophobicContact CE1-CG 3.8Å; Y209-Q213 HydrophobicContact CE2-CG 3.77Å; Y209-Q213 PolarHBondContact O-N 2.91Å; H210-Q213 PolarHBondContact O-N 3.44Å; Q213-G215 VanDerWaalsContact C-N 3.34Å
214H90.1Very high93.7Very high89 Ų8948.7 Ų48.741%0.41225%0.253SS..Hα-helixtrans-71.4-30.5179.5-178.5-94.5000112.2H210 F217 E221 L398H210-H214 WeakPolarHBondContact O-CB 3.34Å; H210-H214 PolarHBondContact O-N 2.94Å; H214-F217 AromaticContact CE1-CD1 3.97Å; H214-F217 AromaticContact ND1-CD1 3.86Å; H214-F217 AromaticContact ND1-CE1 3.78Å; H214-E221 IonicContact CE1-OE1 3.92Å; H214-E221 IonicContact NE2-OE1 2.79Å; H214-L398 HydrophobicContact CB-CD1 4.11Å
215G93.6Very high94.2Very high29 Ų2948.5 Ų48.530%0.29925%0.251SS..  trans83.4-170-163.800000111.6L211 Q213L211-G215 CarbonylContact O-C 3.49Å; L211-G215 VanDerWaalsContact O-CA 3.27Å; L211-G215 WeakPolarHBondContact O-CA 3.46Å; L211-G215 PolarHBondContact O-N 3.45Å; Q213-G215 VanDerWaalsContact C-N 3.34Å
216V96.3Very high94.7Very high79 Ų7947.8 Ų47.848%0.47924%0.244SC..SBendtrans-62.4147-178.5-61.60000111.7L312 L313V216-L312 WeakPolarHBondContact CA-O 3.49Å; V216-L313 WeakPolarHBondContact CB-O 3.37Å
217F97.7Very high95.1Very high6 Ų646.5 Ų46.53%0.02624%0.237CC..PPolyproline II helixtrans-85.9148.3177.2-65.6-80.9000110.7L207 H210 L211 H214 E221 M222 Y225 L312 L313L207-F217 HydrophobicContact CD1-CE2 4.44Å; L207-F217 HydrophobicContact CD1-CZ 4.22Å; H210-F217 HydrophobicContact CB-CZ 4.5Å; L211-F217 HydrophobicContact CB-CE2 4.21Å; L211-F217 HydrophobicContact CD1-CD2 3.93Å; L211-F217 HydrophobicContact CD1-CE2 3.95Å; H214-F217 AromaticContact CE1-CD1 3.97Å; H214-F217 AromaticContact ND1-CD1 3.86Å; H214-F217 AromaticContact ND1-CE1 3.78Å; F217-E221 HydrophobicContact CB-CB 4.15Å; F217-E221 HydrophobicContact CD1-CB 4.03Å; F217-M222 HydrophobicContact CB-CB 4.49Å; F217-Y225 HydrophobicContact CD1-CE2 4.01Å; F217-Y225 AromaticContact CE1-CE2 3.74Å; F217-Y225 HydrophobicContact CE1-CE2 3.74Å; F217-Y225 HydrophobicContact CZ-CE2 4.07Å; F217-L312 HydrophobicContact CD2-CB 4.02Å; F217-L312 HydrophobicContact CD2-CD2 3.85Å; F217-L312 HydrophobicContact CD2-CG 4.44Å; F217-L312 HydrophobicContact CE2-CD2 3.88Å; F217-L312 PolarHBondContact N-O 2.78Å; F217-L313 WeakPolarHBondContact O-CD2 3.37Å
218S97.9Very high95.3Very high56 Ų5646.6 Ų46.639%0.39224%0.237SC..PPolyproline II helixtrans-69.7163.2165.967.60000111.2K220 E221 M222S218-K220 PolarHBondContact O-N 3.41Å; S218-E221 VanDerWaalsContact CB-OE2 3.32Å; S218-E221 WeakPolarHBondContact CB-OE2 3.42Å; S218-E221 PolarHBondContact N-OE2 2.72Å; S218-E221 PolarHBondContact O-N 3.41Å; S218-E221 WeakPolarHBondContact OG-CG 3.32Å; S218-E221 PolarHBondContact OG-N 3.17Å; S218-E221 PolarHBondContact OG-OE2 2.8Å; S218-M222 WeakPolarHBondContact O-CB 3.39Å; S218-M222 PolarHBondContact O-N 3.33Å
219E97.8Very high95.6Very high36 Ų3642.2 Ų42.217%0.16822%0.217CC..Hα-helixtrans-58.7-35.3178.2-57.3-167.5-172.200112.9R223 L313 T346 L349 F380E219-R223 VanDerWaalsContact O-CB 3.27Å; E219-R223 WeakPolarHBondContact O-CB 3.38Å; E219-R223 PolarHBondContact O-N 3.19Å; E219-L313 HydrophobicContact CG-CD2 4.14Å; E219-T346 PolarHBondContact OE1-N 3.15Å; E219-T346 VanDerWaalsContact OE1-N 3.13Å; E219-T346 WeakPolarHBondContact OE2-CG2 3.42Å; E219-T346 PolarHBondContact OE2-OG1 3.4Å; E219-L349 HydrophobicContact CG-CD2 3.74Å; E219-L349 VanDerWaalsContact OE1-CD2 3.26Å; E219-L349 WeakPolarHBondContact OE1-CD2 3.27Å; E219-F380 HydrophobicContact CB-CE2 4.43Å; E219-F380 HydrophobicContact CB-CZ 4.45Å
220K97.2Very high96.1Very high174 Ų17439.9 Ų39.976%0.75721%0.208SC*.Hα-helixtrans-66.6-43.9178.6-175.9-176.5175.7-172.40111.6S218 R223 F224S218-K220 PolarHBondContact O-N 3.41Å; K220-R223 PolarHBondContact O-N 3Å; K220-F224 PolarHBondContact O-N 3.27Å
221E97.9Very high96.5Very high46 Ų4640 Ų4022%0.21521%0.209CC..Hα-helixtrans-70.5-43.1179.3-61.4164139.100110.7H214 F217 S218 R223 F224 Y225 P397H214-E221 IonicContact CE1-OE1 3.92Å; H214-E221 IonicContact NE2-OE1 2.79Å; F217-E221 HydrophobicContact CB-CB 4.15Å; F217-E221 HydrophobicContact CD1-CB 4.03Å; S218-E221 VanDerWaalsContact CB-OE2 3.32Å; S218-E221 WeakPolarHBondContact CB-OE2 3.42Å; S218-E221 PolarHBondContact N-OE2 2.72Å; S218-E221 PolarHBondContact O-N 3.41Å; S218-E221 WeakPolarHBondContact OG-CG 3.32Å; S218-E221 PolarHBondContact OG-N 3.17Å; S218-E221 PolarHBondContact OG-OE2 2.8Å; E221-R223 VanDerWaalsContact C-N 3.29Å; E221-R223 PolarHBondContact O-N 3.4Å; E221-F224 WeakPolarHBondContact O-CB 3.47Å; E221-F224 PolarHBondContact O-N 2.72Å; E221-Y225 WeakPolarHBondContact O-CD2 3.09Å; E221-Y225 PolarHBondContact O-N 3.05Å; E221-P397 HydrophobicContact CB-CB 3.72Å; E221-P397 HydrophobicContact CB-CG 4.03Å; E221-P397 HydrophobicContact CG-CB 3.54Å; E221-P397 HydrophobicContact CG-CG 4.41Å
222M98.1Very high96.8Very high0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-59.4-40.3174.1178.3-79.3-7600111.5F217 S218 F224 Y225 A226 L309 L312 L313 L349 F380F217-M222 HydrophobicContact CB-CB 4.49Å; S218-M222 WeakPolarHBondContact O-CB 3.39Å; S218-M222 PolarHBondContact O-N 3.33Å; M222-F224 VanDerWaalsContact C-N 3.27Å; M222-F224 PolarHBondContact O-N 2.82Å; M222-Y225 PolarHBondContact O-N 3.25Å; M222-A226 WeakPolarHBondContact O-CB 3.38Å; M222-A226 PolarHBondContact O-N 3.46Å; M222-A226 HydrophobicContact SD-CB 3.99Å; M222-L309 HydrophobicContact CG-CB 4.37Å; M222-L309 HydrophobicContact CG-CD2 4.06Å; M222-L309 HydrophobicContact SD-CB 4Å; M222-L309 HydrophobicContact SD-CD1 3.89Å; M222-L309 HydrophobicContact SD-CD2 3.67Å; M222-L309 HydrophobicContact SD-CG 4.02Å; M222-L312 HydrophobicContact CG-CB 4.25Å; M222-L312 HydrophobicContact CG-CD1 4.26Å; M222-L313 HydrophobicContact CB-CD2 4.13Å; M222-L313 HydrophobicContact CE-CD1 3.86Å; M222-L313 HydrophobicContact CE-CD2 4.32Å; M222-L313 HydrophobicContact CE-CG 4.32Å; M222-L313 HydrophobicContact CG-CD2 4.42Å; M222-L313 HydrophobicContact CG-CG 4.32Å; M222-L349 HydrophobicContact CE-CD1 3.57Å; M222-F380 HydrophobicContact CE-CE1 3.92Å; M222-F380 HydrophobicContact CE-CE2 4.44Å; M222-F380 HydrophobicContact CE-CZ 3.56Å; M222-F380 HydrophobicContact SD-CE1 4.42Å
223R98.6Very high97.2Very high71 Ų7135.8 Ų35.827%0.26818%0.181SC..Hα-helixtrans-58.4-37.6178.4-174.6-179.9-61.7169.40.1112.6E219 K220 E221 A227 F380 F381E219-R223 VanDerWaalsContact O-CB 3.27Å; E219-R223 WeakPolarHBondContact O-CB 3.38Å; E219-R223 PolarHBondContact O-N 3.19Å; K220-R223 PolarHBondContact O-N 3Å; E221-R223 VanDerWaalsContact C-N 3.29Å; E221-R223 PolarHBondContact O-N 3.4Å; R223-A227 WeakPolarHBondContact O-CB 3.24Å; R223-A227 PolarHBondContact O-N 3.45Å; R223-F380 HydrophobicContact CB-CE1 3.67Å; R223-F380 HydrophobicContact CB-CZ 3.96Å; R223-F380 HydrophobicContact CG-CD1 4.26Å; R223-F380 HydrophobicContact CG-CE1 3.66Å; R223-F380 HydrophobicContact CG-CZ 4.32Å; R223-F380 PolarHBondContact NE-O 3.02Å; R223-F380 VanDerWaalsContact NH2-CE2 3.33Å; R223-F380 PolarHBondContact NH2-O 3.08Å; R223-F381 HydrophobicContact CG-CD1 3.89Å; R223-F381 HydrophobicContact CG-CE1 3.98Å
224F98.6Very high97.7Very high23 Ų2332 Ų3210%0.10116%0.163CC..Hα-helixtrans-60.3-55.7174.8171-89.4000110.8K220 E221 M222 A226 A227 E228 H258 Y394 P396 P397K220-F224 PolarHBondContact O-N 3.27Å; E221-F224 WeakPolarHBondContact O-CB 3.47Å; E221-F224 PolarHBondContact O-N 2.72Å; M222-F224 VanDerWaalsContact C-N 3.27Å; M222-F224 PolarHBondContact O-N 2.82Å; F224-A226 VanDerWaalsContact C-N 3.31Å; F224-A226 PolarHBondContact O-N 2.8Å; F224-A227 PolarHBondContact O-N 2.94Å; F224-A227 VanDerWaalsContact O-N 3.16Å; F224-E228 HydrophobicContact CZ-CG 4.4Å; F224-E228 WeakPolarHBondContact CZ-OE1 3.39Å; F224-E228 PolarHBondContact O-N 3.48Å; F224-H258 AromaticContact CZ-ND1 3.66Å; F224-Y394 WeakPolarHBondContact CE2-O 3.38Å; F224-P396 HydrophobicContact CE1-CB 3.98Å; F224-P396 HydrophobicContact CE1-CG 4.36Å; F224-P396 HydrophobicContact CE2-CB 4.47Å; F224-P396 HydrophobicContact CE2-CG 4.29Å; F224-P396 HydrophobicContact CZ-CB 3.8Å; F224-P396 HydrophobicContact CZ-CG 3.71Å; F224-P397 HydrophobicContact CB-CG 4.43Å; F224-P397 HydrophobicContact CD1-CG 4Å; F224-P397 HydrophobicContact CG-CG 4.39Å
225Y98.6Very high98.1Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-63-38.3-179.8-62.8-55.2000112.4L207 F217 E221 M222 A227 E228 I229 V259 P397 L398L207-Y225 HydrophobicContact CD1-CD1 4.32Å; L207-Y225 HydrophobicContact CD1-CD2 4.25Å; L207-Y225 HydrophobicContact CD1-CE1 4.05Å; L207-Y225 HydrophobicContact CD1-CE2 3.96Å; L207-Y225 HydrophobicContact CD1-CG 4.41Å; L207-Y225 HydrophobicContact CD2-CG 4.43Å; F217-Y225 HydrophobicContact CD1-CE2 4.01Å; F217-Y225 AromaticContact CE1-CE2 3.74Å; F217-Y225 HydrophobicContact CE1-CE2 3.74Å; F217-Y225 HydrophobicContact CZ-CE2 4.07Å; E221-Y225 WeakPolarHBondContact O-CD2 3.09Å; E221-Y225 PolarHBondContact O-N 3.05Å; M222-Y225 PolarHBondContact O-N 3.25Å; Y225-A227 VanDerWaalsContact C-N 3.33Å; Y225-A227 PolarHBondContact O-N 2.95Å; Y225-E228 PolarHBondContact O-N 2.95Å; Y225-I229 WeakPolarHBondContact O-CB 3.44Å; Y225-I229 WeakPolarHBondContact O-CD1 3.43Å; Y225-I229 WeakPolarHBondContact O-CG1 3.4Å; Y225-I229 PolarHBondContact O-N 3.39Å; Y225-V259 HydrophobicContact CD1-CB 4.4Å; Y225-V259 HydrophobicContact CD1-CG1 3.46Å; Y225-V259 VanDerWaalsContact CD1-CG1 3.46Å; Y225-V259 HydrophobicContact CD1-CG2 4.04Å; Y225-V259 HydrophobicContact CE1-CG1 3.61Å; Y225-P397 HydrophobicContact CD2-CG 4.35Å; Y225-P397 HydrophobicContact CE1-CG 4.22Å; Y225-P397 HydrophobicContact CE2-CG 3.57Å; Y225-P397 WeakPolarHBondContact OH-CG 3.15Å; Y225-L398 WeakPolarHBondContact OH-CB 3.38Å
226A98.8Very high98.3Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-59.2-44.7175.600000111.5M222 F224 E228 I229 I230 L309 F381M222-A226 WeakPolarHBondContact O-CB 3.38Å; M222-A226 PolarHBondContact O-N 3.46Å; M222-A226 HydrophobicContact SD-CB 3.99Å; F224-A226 VanDerWaalsContact C-N 3.31Å; F224-A226 PolarHBondContact O-N 2.8Å; A226-E228 PolarHBondContact O-N 2.85Å; A226-I229 PolarHBondContact O-N 3.33Å; A226-I230 WeakPolarHBondContact O-CB 3.15Å; A226-I230 VanDerWaalsContact O-CD1 3.29Å; A226-I230 WeakPolarHBondContact O-CD1 3.35Å; A226-I230 WeakPolarHBondContact O-CG1 3.28Å; A226-I230 PolarHBondContact O-N 3.49Å; A226-L309 HydrophobicContact CB-CD1 3.97Å; A226-L309 HydrophobicContact CB-CD2 3.67Å; A226-L309 HydrophobicContact CB-CG 4.48Å; A226-F381 HydrophobicContact CB-CE1 3.99Å; A226-F381 HydrophobicContact CB-CZ 4.01Å
227A98.8Very high98.5Very high2 Ų224.7 Ų24.72%0.01712%0.116CC..Hα-helixtrans-61.6-45.3-179.500000112.3R223 F224 Y225 I230 L231 W386 V389R223-A227 WeakPolarHBondContact O-CB 3.24Å; R223-A227 PolarHBondContact O-N 3.45Å; F224-A227 PolarHBondContact O-N 2.94Å; F224-A227 VanDerWaalsContact O-N 3.16Å; Y225-A227 VanDerWaalsContact C-N 3.33Å; Y225-A227 PolarHBondContact O-N 2.95Å; A227-I230 PolarHBondContact O-N 2.9Å; A227-L231 PolarHBondContact O-N 3.49Å; A227-W386 HydrophobicContact CB-CH2 4.14Å; A227-W386 HydrophobicContact CB-CZ3 3.96Å; A227-V389 HydrophobicContact CB-CG1 4.03Å; A227-V389 HydrophobicContact CB-CG2 4.18Å
228E98.8Very high98.5Very high2 Ų229.8 Ų29.81%0.00914%0.143CC..Hα-helixtrans-65.5-43.1177.4-65.2-161.3151.900112F181 F224 Y225 A226 I230 L231 G232 H258 V259 V389F181-E228 WeakPolarHBondContact CB-O 3.32Å; F181-E228 HydrophobicContact CD1-CB 3.59Å; F181-E228 HydrophobicContact CD1-CG 3.98Å; F181-E228 HydrophobicContact CE1-CB 3.72Å; F181-E228 HydrophobicContact CE1-CG 3.59Å; F181-E228 HydrophobicContact CG-CB 4.43Å; F181-E228 WeakPolarHBondContact CG-O 3.46Å; F181-E228 HydrophobicContact CZ-CG 4.45Å; F224-E228 HydrophobicContact CZ-CG 4.4Å; F224-E228 WeakPolarHBondContact CZ-OE1 3.39Å; F224-E228 PolarHBondContact O-N 3.48Å; Y225-E228 PolarHBondContact O-N 2.95Å; A226-E228 PolarHBondContact O-N 2.85Å; E228-I230 PolarHBondContact O-N 3.21Å; E228-L231 PolarHBondContact O-N 3.41Å; E228-G232 PolarHBondContact O-N 3.48Å; E228-H258 IonicContact OE1-CE1 2.72Å; E228-H258 IonicContact OE1-CG 2.72Å; E228-H258 IonicContact OE1-ND1 3.93Å; E228-H258 PolarHBondContact OE1-ND1 2.48Å; E228-H258 IonicContact OE2-ND1 3.53Å; E228-V259 HydrophobicContact CB-CG2 3.68Å; E228-V259 HydrophobicContact CG-CG2 4.49Å; E228-V259 VanDerWaalsContact OE2-CG2 3.24Å; E228-V259 WeakPolarHBondContact OE2-CG2 3.45Å; E228-V259 PolarHBondContact OE2-N 3.44Å; E228-V389 HydrophobicContact CG-CG1 4.04Å
229I98.9Very high98.5Very high1 Ų130.5 Ų30.51%0.00514%0.138CC..Hα-helixtrans-65.8-38.5179.1-66.4166.2000111.3Y225 A226 L231 G232 L233 L246 I251 V259 I261 L305 M308Y225-I229 WeakPolarHBondContact O-CB 3.44Å; Y225-I229 WeakPolarHBondContact O-CD1 3.43Å; Y225-I229 WeakPolarHBondContact O-CG1 3.4Å; Y225-I229 PolarHBondContact O-N 3.39Å; A226-I229 PolarHBondContact O-N 3.33Å; I229-L231 VanDerWaalsContact C-N 3.29Å; I229-L231 PolarHBondContact O-N 2.9Å; I229-G232 PolarHBondContact O-N 2.97Å; I229-L233 HydrophobicContact CG2-CD1 4.34Å; I229-L233 HydrophobicContact CG2-CG 4.36Å; I229-L233 WeakPolarHBondContact O-CG 3.43Å; I229-L233 PolarHBondContact O-N 2.91Å; I229-L246 HydrophobicContact CG2-CD1 4Å; I229-L246 HydrophobicContact CG2-CD2 4.16Å; I229-I251 HydrophobicContact CD1-CD1 3.97Å; I229-I251 HydrophobicContact CD1-CG1 3.97Å; I229-I251 HydrophobicContact CD1-CG2 4.08Å; I229-I251 HydrophobicContact CG1-CD1 4.1Å; I229-I251 HydrophobicContact CG1-CG2 4.47Å; I229-V259 HydrophobicContact CG1-CG2 4.09Å; I229-I261 HydrophobicContact CG2-CD1 4.22Å; I229-L305 HydrophobicContact CG2-CD1 3.98Å; I229-M308 HydrophobicContact CD1-CE 3.28Å; I229-M308 HydrophobicContact CD1-SD 3.91Å; I229-M308 HydrophobicContact CG1-CE 4.48Å; I229-M308 HydrophobicContact CG2-CE 4.24Å
230I98.9Very high98.5Very high0 Ų034.1 Ų34.10%015%0.153CC..Hα-helixtrans-58.3-42.9175.7-74.3160.8000110.7A226 A227 E228 L233 E234 W302 L305 A372 V375 K376 F381 W386A226-I230 WeakPolarHBondContact O-CB 3.15Å; A226-I230 VanDerWaalsContact O-CD1 3.29Å; A226-I230 WeakPolarHBondContact O-CD1 3.35Å; A226-I230 WeakPolarHBondContact O-CG1 3.28Å; A226-I230 PolarHBondContact O-N 3.49Å; A227-I230 PolarHBondContact O-N 2.9Å; E228-I230 PolarHBondContact O-N 3.21Å; I230-L233 PolarHBondContact O-N 2.86Å; I230-E234 WeakPolarHBondContact O-CB 3.44Å; I230-E234 PolarHBondContact O-N 2.95Å; I230-W302 HydrophobicContact CG1-CZ3 4.29Å; I230-W302 HydrophobicContact CG2-CH2 4.42Å; I230-W302 HydrophobicContact CG2-CZ3 4.49Å; I230-L305 HydrophobicContact CD1-CD2 4.36Å; I230-L305 HydrophobicContact CG1-CD2 3.76Å; I230-A372 HydrophobicContact CG2-CB 4.5Å; I230-V375 HydrophobicContact CD1-CG1 3.61Å; I230-V375 HydrophobicContact CG1-CG1 4.13Å; I230-K376 HydrophobicContact CG2-CG 4.05Å; I230-F381 HydrophobicContact CD1-CE1 4.09Å; I230-F381 HydrophobicContact CD1-CE2 3.85Å; I230-F381 HydrophobicContact CD1-CZ 3.49Å; I230-F381 VanDerWaalsContact CD1-CZ 3.49Å; I230-W386 HydrophobicContact CB-CH2 4.38Å; I230-W386 HydrophobicContact CB-CZ3 4.19Å; I230-W386 HydrophobicContact CD1-CH2 3.96Å; I230-W386 HydrophobicContact CG2-CH2 4.13Å; I230-W386 HydrophobicContact CG2-CZ3 3.96Å
231L98.8Very high98.6Very high11 Ų1125.9 Ų25.96%0.05812%0.117CC..Hα-helixtrans-68.5-36.2177.4-67.5-179.3000112.3F181 A227 E228 I229 E234 H235 K376 W386 V389F181-L231 HydrophobicContact CD2-CB 3.33Å; F181-L231 HydrophobicContact CD2-CD1 4.15Å; F181-L231 HydrophobicContact CD2-CG 4.38Å; F181-L231 HydrophobicContact CE2-CB 3.45Å; F181-L231 VanDerWaalsContact CE2-CB 3.45Å; F181-L231 HydrophobicContact CE2-CD1 3.33Å; F181-L231 HydrophobicContact CE2-CG 4.02Å; F181-L231 HydrophobicContact CG-CB 4.23Å; F181-L231 HydrophobicContact CZ-CB 4.42Å; F181-L231 HydrophobicContact CZ-CD1 3.79Å; A227-L231 PolarHBondContact O-N 3.49Å; E228-L231 PolarHBondContact O-N 3.41Å; I229-L231 VanDerWaalsContact C-N 3.29Å; I229-L231 PolarHBondContact O-N 2.9Å; L231-E234 WeakPolarHBondContact CD2-OE2 3.48Å; L231-H235 PolarHBondContact O-N 3.38Å; L231-H235 VanDerWaalsContact O-N 3.09Å; L231-K376 VanDerWaalsContact CD2-CE 3.4Å; L231-W386 HydrophobicContact CD1-CE3 4.31Å; L231-W386 HydrophobicContact CD2-CE3 3.92Å; L231-W386 HydrophobicContact CD2-CZ3 4.43Å; L231-W386 HydrophobicContact CG-CE3 4.03Å; L231-W386 HydrophobicContact CG-CZ3 4.27Å; L231-V389 HydrophobicContact CD1-CB 3.92Å; L231-V389 HydrophobicContact CD1-CG1 3.58Å
232G98.8Very high98.6Very high0 Ų023.7 Ų23.70%011%0.107CC..Hα-helixtrans-62.8-45.2171.600000112.8E228 I229 H235 M236E228-G232 PolarHBondContact O-N 3.48Å; I229-G232 PolarHBondContact O-N 2.97Å; G232-H235 PolarHBondContact O-N 2.96Å; G232-M236 PolarHBondContact O-N 3.04Å
233L98.9Very high98.6Very high0 Ų023.7 Ų23.70%011%0.107CC..Hα-helixtrans-63.1-44.9175.7-69.2178.8000111.8I229 I230 H235 M236 H237 L246 I261 D301 W302 L305I229-L233 HydrophobicContact CG2-CD1 4.34Å; I229-L233 HydrophobicContact CG2-CG 4.36Å; I229-L233 WeakPolarHBondContact O-CG 3.43Å; I229-L233 PolarHBondContact O-N 2.91Å; I230-L233 PolarHBondContact O-N 2.86Å; L233-H235 VanDerWaalsContact C-N 3.28Å; L233-H235 PolarHBondContact O-N 3.05Å; L233-M236 PolarHBondContact O-N 3.12Å; L233-M236 VanDerWaalsContact O-N 3.13Å; L233-H237 WeakPolarHBondContact O-CB 3.49Å; L233-H237 PolarHBondContact O-CD2 2.68Å; L233-H237 VanDerWaalsContact O-CD2 3.29Å; L233-H237 PolarHBondContact O-N 2.86Å; L233-L246 HydrophobicContact CD1-CD2 4.05Å; L233-I261 HydrophobicContact CD2-CD1 4.02Å; L233-I261 HydrophobicContact CG-CD1 4.18Å; L233-D301 HydrophobicContact CD1-CB 4.32Å; L233-D301 HydrophobicContact CD2-CB 3.97Å; L233-W302 HydrophobicContact CB-CH2 4.27Å; L233-W302 HydrophobicContact CB-CZ3 4.46Å; L233-W302 HydrophobicContact CD1-CE3 4.21Å; L233-W302 HydrophobicContact CD1-CZ3 3.93Å; L233-L305 HydrophobicContact CD1-CB 4.46Å; L233-L305 HydrophobicContact CD1-CD2 4.46Å
234E98.7Very high98.6Very high47 Ų4721.6 Ų21.622%0.2210%0.099CC..Hα-helixtrans-55.1-44.1176.1-179.9-178.3-132.600111.8I230 L231 M236 H237 N238 A372 K376I230-E234 WeakPolarHBondContact O-CB 3.44Å; I230-E234 PolarHBondContact O-N 2.95Å; L231-E234 WeakPolarHBondContact CD2-OE2 3.48Å; E234-M236 VanDerWaalsContact C-N 3.33Å; E234-M236 PolarHBondContact O-N 3.32Å; E234-H237 PolarHBondContact O-N 2.59Å; E234-N238 VanDerWaalsContact O-CB 3.32Å; E234-N238 WeakPolarHBondContact O-CB 3.07Å; E234-N238 PolarHBondContact O-N 3.21Å; E234-N238 PolarHBondContact O-ND2 3.39Å; E234-A372 HydrophobicContact CB-CB 3.69Å; E234-A372 HydrophobicContact CG-CB 3.79Å; E234-K376 IonicContact OE1-NZ 2.68Å; E234-K376 PolarHBondContact OE1-NZ 3.07Å; E234-K376 WeakPolarHBondContact OE2-CE 3.44Å; E234-K376 IonicContact OE2-NZ 2.64Å; E234-K376 PolarHBondContact OE2-NZ 3.26Å
235H98.6Very high98.5Very high21 Ų2120.8 Ų20.810%0.09710%0.096CC..Hα-helixtrans-61.6-40.2178.3-178.793.1000112.9V174 T176 C179 I182 L231 G232 L233 R239V174-H235 PolarHBondContact O-NE2 3.25Å; T176-H235 PolarHBondContact O-CE1 3.28Å; T176-H235 VanDerWaalsContact O-CE1 3.26Å; C179-H235 HydrophobicContact CB-CB 4.28Å; C179-H235 VanDerWaalsContact CB-CE1 3.5Å; C179-H235 WeakPolarHBondContact CB-CE1 3.4Å; I182-H235 HydrophobicContact CD1-CB 4.07Å; I182-H235 VanDerWaalsContact CD1-CD2 3.41Å; I182-H235 WeakPolarHBondContact CD1-CD2 3.29Å; L231-H235 PolarHBondContact O-N 3.38Å; L231-H235 VanDerWaalsContact O-N 3.09Å; G232-H235 PolarHBondContact O-N 2.96Å; L233-H235 VanDerWaalsContact C-N 3.28Å; L233-H235 PolarHBondContact O-N 3.05Å; H235-R239 PolarHBondContact CE1-NH1 3.31Å; H235-R239 PolarHBondContact CE1-NH2 2.7Å; H235-R239 PolarHBondContact ND1-NH1 3.42Å; H235-R239 WeakPolarHBondContact O-CD 3.42Å; H235-R239 PolarHBondContact O-NH1 2.79Å; H235-R239 VanDerWaalsContact O-NH1 3.12Å
236M98.7Very high98.5Very high0 Ų020.8 Ų20.80%010%0.096CC..Hα-helixtrans-68.6-45.5175-62.8-166.7-167.600111.4V174 I182 G232 L233 E234 N238 R239 F240 V241 Y243 I261 L264V174-M236 HydrophobicContact CG1-CG 4.1Å; I182-M236 HydrophobicContact CB-CE 4.48Å; I182-M236 HydrophobicContact CD1-CE 3.68Å; I182-M236 HydrophobicContact CD1-CG 3.65Å; I182-M236 HydrophobicContact CG1-CE 3.78Å; I182-M236 HydrophobicContact CG2-CE 3.87Å; G232-M236 PolarHBondContact O-N 3.04Å; L233-M236 PolarHBondContact O-N 3.12Å; L233-M236 VanDerWaalsContact O-N 3.13Å; E234-M236 VanDerWaalsContact C-N 3.33Å; E234-M236 PolarHBondContact O-N 3.32Å; M236-N238 PolarHBondContact O-N 3.18Å; M236-R239 CarbonylContact O-C 3.48Å; M236-R239 WeakPolarHBondContact O-CA 3.4Å; M236-R239 WeakPolarHBondContact O-CB 3.24Å; M236-R239 PolarHBondContact O-N 3.35Å; M236-F240 PolarHBondContact O-N 3.44Å; M236-V241 CarbonylContact C-O 3.55Å; M236-V241 HydrophobicContact CB-CB 4.15Å; M236-V241 HydrophobicContact CB-CG1 4.39Å; M236-V241 PolarHBondContact O-N 3.4Å; M236-Y243 HydrophobicContact CE-CD2 3.99Å; M236-Y243 HydrophobicContact SD-CD2 3.92Å; M236-Y243 HydrophobicContact SD-CG 4.2Å; M236-I261 HydrophobicContact CE-CB 4.11Å; M236-I261 HydrophobicContact CE-CD1 4.36Å; M236-I261 HydrophobicContact CE-CG2 3.75Å; M236-L264 HydrophobicContact CE-CD1 4.28Å; M236-L264 HydrophobicContact CE-CD2 4.17Å; M236-L264 HydrophobicContact CE-CG 4.31Å
237H98.6Very high98.4Very high22 Ų2222.8 Ų22.810%0.10210%0.104CC..Hα-helixtrans-65.9-37.8-177.2-65.1177.4000112.2L233 E234 R239 F240 V241 S298 D301 W302L233-H237 WeakPolarHBondContact O-CB 3.49Å; L233-H237 PolarHBondContact O-CD2 2.68Å; L233-H237 VanDerWaalsContact O-CD2 3.29Å; L233-H237 PolarHBondContact O-N 2.86Å; E234-H237 PolarHBondContact O-N 2.59Å; H237-R239 PolarHBondContact O-N 2.64Å; H237-R239 VanDerWaalsContact O-N 3.13Å; H237-F240 PolarHBondContact O-N 2.79Å; H237-V241 PolarHBondContact CD2-O 2.54Å; H237-S298 WeakPolarHBondContact ND1-CB 3.46Å; H237-D301 IonicContact CD2-OD2 3.21Å; H237-D301 IonicContact CE1-OD2 3.44Å; H237-D301 IonicContact NE2-OD2 2.65Å; H237-D301 PolarHBondContact NE2-OD2 3.01Å; H237-W302 AromaticContact CE1-CE2 3.88Å; H237-W302 AromaticContact CE1-CZ2 3.88Å; H237-W302 AromaticContact ND1-CE2 3.9Å; H237-W302 AromaticContact ND1-CZ2 3.61Å
238N97.9Very high98.2Very high113 Ų11322.7 Ų22.760%0.60410%0.104SC*.THydrogen-bonded Turntrans-62.8-16.4172.7-73.8-17.6000113.1E234 M236E234-N238 VanDerWaalsContact O-CB 3.32Å; E234-N238 WeakPolarHBondContact O-CB 3.07Å; E234-N238 PolarHBondContact O-N 3.21Å; E234-N238 PolarHBondContact O-ND2 3.39Å; M236-N238 PolarHBondContact O-N 3.18Å
239R98.3Very high97.9Very high72 Ų7224.4 Ų24.427%0.27212%0.118SC..THydrogen-bonded Turntrans-107.314.9174.8-68.9165.6172.972.9-1112.4L173 T176 H235 M236 H237 V241L173-R239 VanDerWaalsContact O-CD 3.31Å; L173-R239 WeakPolarHBondContact O-CD 3.5Å; T176-R239 PolarHBondContact O-NH2 3.16Å; H235-R239 PolarHBondContact CE1-NH1 3.31Å; H235-R239 PolarHBondContact CE1-NH2 2.7Å; H235-R239 PolarHBondContact ND1-NH1 3.42Å; H235-R239 WeakPolarHBondContact O-CD 3.42Å; H235-R239 PolarHBondContact O-NH1 2.79Å; H235-R239 VanDerWaalsContact O-NH1 3.12Å; M236-R239 CarbonylContact O-C 3.48Å; M236-R239 WeakPolarHBondContact O-CA 3.4Å; M236-R239 WeakPolarHBondContact O-CB 3.24Å; M236-R239 PolarHBondContact O-N 3.35Å; H237-R239 PolarHBondContact O-N 2.64Å; H237-R239 VanDerWaalsContact O-N 3.13Å; R239-V241 PolarHBondContact O-N 2.8Å
240F98.3Very high97.8Very high112 Ų11225 Ų2549%0.49112%0.121SC..THydrogen-bonded Turntrans56.633.2-178.7-51.2-86.3000113.6M236 H237 D269 F270M236-F240 PolarHBondContact O-N 3.44Å; H237-F240 PolarHBondContact O-N 2.79Å; F240-D269 CarbonylContact O-C 3.53Å; F240-D269 WeakPolarHBondContact O-CA 3.19Å; F240-F270 VanDerWaalsContact C-CD1 3.42Å; F240-F270 HydrophobicContact CB-CD2 4.2Å; F240-F270 HydrophobicContact CB-CE1 4.42Å; F240-F270 HydrophobicContact CB-CE2 4.05Å; F240-F270 HydrophobicContact CB-CG 4.45Å; F240-F270 HydrophobicContact CB-CZ 4.17Å; F240-F270 HydrophobicContact CD1-CD2 4.34Å; F240-F270 AromaticContact CD1-CE2 3.82Å; F240-F270 HydrophobicContact CD1-CE2 3.82Å; F240-F270 HydrophobicContact CD1-CZ 4.4Å; F240-F270 HydrophobicContact CG-CE2 4.44Å; F240-F270 WeakPolarHBondContact O-CD1 3.31Å; F240-F270 VanDerWaalsContact O-CE1 3.31Å; F240-F270 WeakPolarHBondContact O-CE1 3.39Å; F240-F270 WeakPolarHBondContact O-CG 3.39Å; F240-F270 PolarHBondContact O-N 2.96Å
241V98.7Very high97.8Very high0 Ų025 Ų250%012%0.121CC..EExtended strand (participates in β ladder)trans-104.6123.9174.6176.40000109.2M170 L173 V174 M236 H237 R239 A267 C268M170-V241 HydrophobicContact SD-CG1 4.18Å; L173-V241 HydrophobicContact CB-CG2 4.22Å; L173-V241 HydrophobicContact CD1-CG2 4.04Å; V174-V241 HydrophobicContact CG1-CB 4.43Å; V174-V241 HydrophobicContact CG1-CG1 4.41Å; V174-V241 HydrophobicContact CG1-CG2 4.22Å; M236-V241 CarbonylContact C-O 3.55Å; M236-V241 HydrophobicContact CB-CB 4.15Å; M236-V241 HydrophobicContact CB-CG1 4.39Å; M236-V241 PolarHBondContact O-N 3.4Å; H237-V241 PolarHBondContact CD2-O 2.54Å; R239-V241 PolarHBondContact O-N 2.8Å; V241-A267 HydrophobicContact CG1-CB 3.98Å; V241-C268 WeakPolarHBondContact CA-O 3.5Å
242V98.7Very high97.6Very high0 Ų026.5 Ų26.50%013%0.129CC..EExtended strand (participates in β ladder)trans-96.6131.3168.460.30000109R244 A267 C268 F270 P275 D297 A300 D301V242-R244 HydrophobicContact CB-CG 4.29Å; V242-R244 HydrophobicContact CG1-CG 3.86Å; V242-R244 HydrophobicContact CG2-CG 3.67Å; V242-A267 CarbonylContact O-C 3.52Å; V242-A267 WeakPolarHBondContact O-CA 3.4Å; V242-A267 WeakPolarHBondContact O-CB 3.19Å; V242-C268 HydrophobicContact CG1-CB 3.96Å; V242-C268 WeakPolarHBondContact CG1-O 3.34Å; V242-C268 PolarHBondContact N-O 3.06Å; V242-C268 PolarHBondContact O-N 2.74Å; V242-F270 HydrophobicContact CB-CD1 3.94Å; V242-F270 HydrophobicContact CB-CE1 4.1Å; V242-F270 HydrophobicContact CG1-CD1 4.05Å; V242-P275 HydrophobicContact CG1-CG 4.22Å; V242-D297 VanDerWaalsContact CG2-O 3.28Å; V242-D297 WeakPolarHBondContact CG2-O 3.45Å; V242-A300 HydrophobicContact CG2-CB 4.2Å; V242-D301 WeakPolarHBondContact CG2-OD2 3.32Å
243Y98.6Very high97.4Very high0 Ų026.5 Ų26.50%013%0.129CC..  trans-81.4-41.9-171.3179.5-113.6000113.4M236 D245 L246 N250 I261 S262 D263 L264 A267 D301M236-Y243 HydrophobicContact CE-CD2 3.99Å; M236-Y243 HydrophobicContact SD-CD2 3.92Å; M236-Y243 HydrophobicContact SD-CG 4.2Å; Y243-D245 HydrophobicContact CE1-CB 4.41Å; Y243-D245 WeakPolarHBondContact CE1-O 2.92Å; Y243-D245 PolarHBondContact O-N 2.94Å; Y243-L246 HydrophobicContact CD1-CB 3.97Å; Y243-L246 HydrophobicContact CD1-CD1 4.16Å; Y243-L246 HydrophobicContact CE1-CB 4.16Å; Y243-L246 HydrophobicContact CE1-CD1 4.1Å; Y243-N250 WeakPolarHBondContact OH-CB 3.38Å; Y243-N250 PolarHBondContact OH-ND2 2.91Å; Y243-I261 HydrophobicContact CD1-CG2 4.21Å; Y243-I261 HydrophobicContact CD2-CG2 3.95Å; Y243-I261 HydrophobicContact CE1-CG2 3.79Å; Y243-I261 HydrophobicContact CE2-CG2 3.51Å; Y243-I261 HydrophobicContact CG-CG2 4.29Å; Y243-I261 VanDerWaalsContact CZ-CG2 3.45Å; Y243-S262 WeakPolarHBondContact CE2-O 3.48Å; Y243-S262 PolarHBondContact OH-O 2.84Å; Y243-D263 VanDerWaalsContact CE2-O 3.3Å; Y243-D263 WeakPolarHBondContact CE2-O 3.49Å; Y243-D263 PolarHBondContact OH-O 2.93Å; Y243-L264 HydrophobicContact CD2-CG 4.3Å; Y243-L264 HydrophobicContact CE2-CD1 4.29Å; Y243-L264 HydrophobicContact CE2-CG 4.21Å; Y243-A267 HydrophobicContact CD2-CB 4.48Å; Y243-A267 WeakPolarHBondContact O-CA 3.32Å; Y243-D301 PolarHBondContact N-OD1 2.88Å; Y243-D301 PolarHBondContact N-OD2 3.46Å
244R98Very high97.1Very high27 Ų2727.5 Ų27.510%0.10214%0.135CC..  trans66.3-8.5171.8-52.2-170.4-65179.7-3.5118.1V242 L266 A267 G280 Y296 D301V242-R244 HydrophobicContact CB-CG 4.29Å; V242-R244 HydrophobicContact CG1-CG 3.86Å; V242-R244 HydrophobicContact CG2-CG 3.67Å; R244-L266 PolarHBondContact NE-O 3.49Å; R244-L266 PolarHBondContact NH2-O 2.88Å; R244-A267 PolarHBondContact NH2-O 2.8Å; R244-G280 WeakPolarHBondContact O-CA 3.5Å; R244-Y296 VanDerWaalsContact CD-OH 3.28Å; R244-Y296 WeakPolarHBondContact CD-OH 3.28Å; R244-Y296 HydrophobicContact CG-CE2 4.25Å; R244-Y296 PolarHBondContact NH1-OH 3.41Å; R244-D301 PolarHBondContact N-OD1 2.73Å
245D97.1Very high96.7Very high7 Ų730.2 Ų30.24%0.03715%0.147CC..  trans-128.737.1-179.7-159.137.1000113.7Y243 K247 N250 L266 T281Y243-D245 HydrophobicContact CE1-CB 4.41Å; Y243-D245 WeakPolarHBondContact CE1-O 2.92Å; Y243-D245 PolarHBondContact O-N 2.94Å; D245-K247 PolarHBondContact O-N 3.48Å; D245-K247 VanDerWaalsContact O-N 3.15Å; D245-K247 IonicContact OD1-NZ 3.52Å; D245-K247 PolarHBondContact OD1-NZ 2.98Å; D245-K247 WeakPolarHBondContact OD2-CE 3.48Å; D245-K247 IonicContact OD2-NZ 3.73Å; D245-K247 PolarHBondContact OD2-NZ 2.91Å; D245-N250 PolarHBondContact O-ND2 3.36Å; D245-N250 PolarHBondContact OD2-ND2 3.39Å; D245-L266 HydrophobicContact CB-CB 4.27Å; D245-L266 HydrophobicContact CB-CD1 3.95Å; D245-T281 WeakPolarHBondContact OD1-CB 3.33Å; D245-T281 PolarHBondContact OD1-N 3.46Å; D245-T281 PolarHBondContact OD1-OG1 3.09Å
246L98.3Very high96.4Very high0 Ų034.3 Ų34.30%017%0.166CC..  trans-68.9111.8-179.9-16468.3000111.7I229 L233 Y243 I251 I261 Y284 L305 M308I229-L246 HydrophobicContact CG2-CD1 4Å; I229-L246 HydrophobicContact CG2-CD2 4.16Å; L233-L246 HydrophobicContact CD1-CD2 4.05Å; Y243-L246 HydrophobicContact CD1-CB 3.97Å; Y243-L246 HydrophobicContact CD1-CD1 4.16Å; Y243-L246 HydrophobicContact CE1-CB 4.16Å; Y243-L246 HydrophobicContact CE1-CD1 4.1Å; L246-I251 HydrophobicContact CD1-CD1 3.83Å; L246-I261 HydrophobicContact CD1-CD1 4.46Å; L246-I261 HydrophobicContact CD1-CG1 4.46Å; L246-Y284 WeakPolarHBondContact O-CD1 3.27Å; L246-L305 HydrophobicContact CD2-CB 3.9Å; L246-L305 HydrophobicContact CD2-CD1 4.13Å; L246-M308 HydrophobicContact CD1-SD 4.21Å; L246-M308 HydrophobicContact CD2-SD 4.28Å; L246-M308 HydrophobicContact CG-SD 3.86Å
247K96Very high96.3Very high41 Ų4134.3 Ų34.318%0.17817%0.166CC..SBendtrans-156.2158.9178.969-160.7-176.4-154.60109.9D245 A249 N250 T281 Y284D245-K247 PolarHBondContact O-N 3.48Å; D245-K247 VanDerWaalsContact O-N 3.15Å; D245-K247 IonicContact OD1-NZ 3.52Å; D245-K247 PolarHBondContact OD1-NZ 2.98Å; D245-K247 WeakPolarHBondContact OD2-CE 3.48Å; D245-K247 IonicContact OD2-NZ 3.73Å; D245-K247 PolarHBondContact OD2-NZ 2.91Å; K247-A249 HydrophobicContact CG-CB 4.3Å; K247-A249 PolarHBondContact O-N 3.4Å; K247-A249 VanDerWaalsContact O-N 3.08Å; K247-N250 WeakPolarHBondContact CE-OD1 3.31Å; K247-N250 HydrophobicContact CG-CB 4.38Å; K247-N250 PolarHBondContact O-N 3.03Å; K247-T281 HydrophobicContact CD-CG2 4.23Å; K247-T281 WeakPolarHBondContact CD-OG1 3.27Å; K247-T281 PolarHBondContact NZ-OG1 3.15Å; K247-Y284 HydrophobicContact CB-CD1 4.43Å; K247-Y284 HydrophobicContact CB-CD2 4.27Å; K247-Y284 HydrophobicContact CB-CE1 4.13Å; K247-Y284 HydrophobicContact CB-CE2 3.95Å; K247-Y284 HydrophobicContact CB-CG 4.49Å
248P95.4Very high96.2Very high1 Ų134 Ų341%0.00617%0.165CC..G310 helixtrans-57.2-31.3-176.8-27.836.9000114.6L207 H208 N250 I251 M308 K311 L312L207-P248 HydrophobicContact CB-CB 4.17Å; L207-P248 WeakPolarHBondContact CB-O 3.39Å; L207-P248 PolarHBondContact N-O 3.3Å; H208-P248 HydrophobicContact CB-CB 4.04Å; H208-P248 PolarHBondContact N-O 3.39Å; P248-N250 PolarHBondContact O-N 3.47Å; P248-I251 PolarHBondContact O-N 3.41Å; P248-M308 HydrophobicContact CG-CG 4.09Å; P248-K311 HydrophobicContact CG-CD 4.01Å; P248-K311 HydrophobicContact CG-CG 4.45Å; P248-L312 HydrophobicContact CG-CD2 4.29Å
249A92.5Very high96.2Very high38 Ų3828.7 Ų28.731%0.31414%0.137SC..G310 helixtrans-69.1-16.6179.600000114.2H208 K247H208-A249 HydrophobicContact CB-CB 3.88Å; K247-A249 HydrophobicContact CG-CB 4.3Å; K247-A249 PolarHBondContact O-N 3.4Å; K247-A249 VanDerWaalsContact O-N 3.08Å
250N96.4Very high96.3Very high12 Ų1227.3 Ų27.36%0.06413%0.131CC..G310 helixtrans-102.14.2177.2-66.11.7000112.4Y243 D245 K247 P248 S262Y243-N250 WeakPolarHBondContact OH-CB 3.38Å; Y243-N250 PolarHBondContact OH-ND2 2.91Å; D245-N250 PolarHBondContact O-ND2 3.36Å; D245-N250 PolarHBondContact OD2-ND2 3.39Å; K247-N250 WeakPolarHBondContact CE-OD1 3.31Å; K247-N250 HydrophobicContact CG-CB 4.38Å; K247-N250 PolarHBondContact O-N 3.03Å; P248-N250 PolarHBondContact O-N 3.47Å; N250-S262 PolarHBondContact O-N 2.96Å; N250-S262 PolarHBondContact O-OG 2.83Å
251I97.8Very high96.3Very high0 Ų022 Ų220%011%0.108CC..EExtended strand (participates in β ladder)trans-102.1107175.3-56.3-54000107.6D206 L207 I229 L246 P248 V259 I261 M308D206-I251 CarbonylContact C-O 3.48Å; D206-I251 WeakPolarHBondContact CA-O 3.45Å; L207-I251 HydrophobicContact CB-CB 3.99Å; L207-I251 HydrophobicContact CB-CG2 4.22Å; L207-I251 HydrophobicContact CD2-CB 4.32Å; L207-I251 HydrophobicContact CD2-CG2 4.09Å; L207-I251 PolarHBondContact N-O 3.31Å; I229-I251 HydrophobicContact CD1-CD1 3.97Å; I229-I251 HydrophobicContact CD1-CG1 3.97Å; I229-I251 HydrophobicContact CD1-CG2 4.08Å; I229-I251 HydrophobicContact CG1-CD1 4.1Å; I229-I251 HydrophobicContact CG1-CG2 4.47Å; L246-I251 HydrophobicContact CD1-CD1 3.83Å; P248-I251 PolarHBondContact O-N 3.41Å; I251-V259 HydrophobicContact CG2-CB 3.53Å; I251-V259 HydrophobicContact CG2-CG1 3.7Å; I251-V259 HydrophobicContact CG2-CG2 4.05Å; I251-I261 HydrophobicContact CD1-CB 4.41Å; I251-I261 HydrophobicContact CD1-CG1 3.75Å; I251-M308 HydrophobicContact CG1-SD 4.06Å
252L95.6Very high96.2Very high43 Ų4322.7 Ų22.723%0.22511%0.113CC..EExtended strand (participates in β ladder)trans-95.4148.1-178.1-56.4-175.2000110.8V183 M202 G205 D206 V259 R260V183-L252 HydrophobicContact CG2-CD1 4.28Å; M202-L252 HydrophobicContact CB-CB 3.73Å; M202-L252 HydrophobicContact CB-CD1 3.85Å; M202-L252 HydrophobicContact CB-CG 4.44Å; M202-L252 HydrophobicContact CE-CB 4.13Å; M202-L252 VanDerWaalsContact CE-O 3.31Å; M202-L252 WeakPolarHBondContact CE-O 3.42Å; M202-L252 HydrophobicContact CG-CB 3.93Å; M202-L252 HydrophobicContact CG-CD1 4.05Å; G205-L252 CarbonylContact O-C 3.57Å; G205-L252 WeakPolarHBondContact O-CA 3.49Å; D206-L252 HydrophobicContact CB-CD2 3.65Å; L252-V259 CarbonylContact O-C 3.51Å; L252-V259 WeakPolarHBondContact O-CA 3.34Å; L252-R260 PolarHBondContact N-O 3.46Å; L252-R260 PolarHBondContact O-N 2.64Å
253L94.5Very high95.9Very high0 Ų025.8 Ų25.80%013%0.129CC..EExtended strand (participates in β ladder)trans-102.5144.5174.4-7073.2000110.2M202 G204 G205 L207 H258 V259 L398 P400M202-L253 VanDerWaalsContact CE-C 3.41Å; G204-L253 WeakPolarHBondContact CA-O 3.47Å; G204-L253 PolarHBondContact N-O 2.87Å; G205-L253 PolarHBondContact O-N 3.25Å; L207-L253 HydrophobicContact CB-CD1 4.31Å; L207-L253 HydrophobicContact CD1-CD1 3.96Å; L253-H258 WeakPolarHBondContact CA-O 3.38Å; L253-V259 HydrophobicContact CD1-CG1 4.05Å; L253-V259 HydrophobicContact CG-CG1 3.89Å; L253-L398 HydrophobicContact CD2-CD2 4.02Å; L253-P400 HydrophobicContact CB-CG 4.11Å; L253-P400 HydrophobicContact CD2-CG 4.05Å
254D92.5Very high95.8Very high21 Ų2125.8 Ų25.811%0.11213%0.129CC..  trans-85.9-177.2164.671.211.9000111.1M202 H256 G257 H258 P400M202-D254 HydrophobicContact CE-CB 3.97Å; M202-D254 HydrophobicContact SD-CB 4.34Å; D254-H256 PolarHBondContact O-N 2.96Å; D254-H256 WeakPolarHBondContact OD1-CA 3.32Å; D254-H256 WeakPolarHBondContact OD1-CB 3.37Å; D254-H256 PolarHBondContact OD1-N 2.91Å; D254-G257 PolarHBondContact O-N 3.43Å; D254-G257 PolarHBondContact OD1-N 3.26Å; D254-H258 PolarHBondContact N-O 3.1Å; D254-H258 PolarHBondContact OD1-N 3.37Å; D254-P400 WeakPolarHBondContact O-CG 3.23Å
255E90.1Very high95.5Very high105 Ų10524.6 Ų24.649%0.49113%0.125SC..THydrogen-bonded Turntrans-66-16.5-179.368-175.8126.800114.2N203N203-E255 WeakPolarHBondContact OD1-CA 3.44Å; N203-E255 WeakPolarHBondContact OD1-CB 3.46Å; N203-E255 PolarHBondContact OD1-N 3.34Å
256H93.5Very high95.4Very high107 Ų10726.4 Ų26.450%0.49514%0.135SC..THydrogen-bonded Turntrans-96.9-13.5179.6-55.1104.6000111.9D254 P396D254-H256 PolarHBondContact O-N 2.96Å; D254-H256 WeakPolarHBondContact OD1-CA 3.32Å; D254-H256 WeakPolarHBondContact OD1-CB 3.37Å; D254-H256 PolarHBondContact OD1-N 2.91Å; H256-P396 VanDerWaalsContact O-CG 3.3Å; H256-P396 WeakPolarHBondContact O-CG 3.43Å
257G94.9Very high95.4Very high0 Ų026.4 Ų26.40%014%0.135CC..SBendtrans97.45.118000000114.7D254 L398D254-G257 PolarHBondContact O-N 3.43Å; D254-G257 PolarHBondContact OD1-N 3.26Å; G257-L398 WeakPolarHBondContact CA-O 3.38Å
258H97.9Very high95.5Very high16 Ų1625.7 Ų25.77%0.07414%0.135CC..  trans-74.7146.9172.7-68.9-76.8000110.6F224 E228 L253 D254 Q392 Y394F224-H258 AromaticContact CZ-ND1 3.66Å; E228-H258 IonicContact OE1-CE1 2.72Å; E228-H258 IonicContact OE1-CG 2.72Å; E228-H258 IonicContact OE1-ND1 3.93Å; E228-H258 PolarHBondContact OE1-ND1 2.48Å; E228-H258 IonicContact OE2-ND1 3.53Å; L253-H258 WeakPolarHBondContact CA-O 3.38Å; D254-H258 PolarHBondContact N-O 3.1Å; D254-H258 PolarHBondContact OD1-N 3.37Å; H258-Q392 VanDerWaalsContact CB-NE2 3.31Å; H258-Q392 PolarHBondContact CE1-O 2.91Å; H258-Q392 PolarHBondContact NE2-O 3.19Å; H258-Y394 PolarHBondContact CE1-O 2.59Å
259V98.3Very high95.6Very high1 Ų128.1 Ų28.11%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-105.4146.6-173.2-650000114.3Y225 E228 I229 I251 L252 L253Y225-V259 HydrophobicContact CD1-CB 4.4Å; Y225-V259 HydrophobicContact CD1-CG1 3.46Å; Y225-V259 VanDerWaalsContact CD1-CG1 3.46Å; Y225-V259 HydrophobicContact CD1-CG2 4.04Å; Y225-V259 HydrophobicContact CE1-CG1 3.61Å; E228-V259 HydrophobicContact CB-CG2 3.68Å; E228-V259 HydrophobicContact CG-CG2 4.49Å; E228-V259 VanDerWaalsContact OE2-CG2 3.24Å; E228-V259 WeakPolarHBondContact OE2-CG2 3.45Å; E228-V259 PolarHBondContact OE2-N 3.44Å; I229-V259 HydrophobicContact CG1-CG2 4.09Å; I251-V259 HydrophobicContact CG2-CB 3.53Å; I251-V259 HydrophobicContact CG2-CG1 3.7Å; I251-V259 HydrophobicContact CG2-CG2 4.05Å; L252-V259 CarbonylContact O-C 3.51Å; L252-V259 WeakPolarHBondContact O-CA 3.34Å; L253-V259 HydrophobicContact CD1-CG1 4.05Å; L253-V259 HydrophobicContact CG-CG1 3.89Å
260R98.6Very high95.8Very high43 Ų4327.5 Ų27.516%0.16214%0.138CC..EExtended strand (participates in β ladder)trans-132.2141.3170.4-56.4-167.7-176.4-140.3-7.8111.8P180 F181 V183 D200 M202 L252P180-R260 WeakPolarHBondContact O-CD 3.5Å; P180-R260 VanDerWaalsContact O-CG 3.25Å; P180-R260 WeakPolarHBondContact O-CG 3.32Å; P180-R260 PolarHBondContact O-NE 3.44Å; P180-R260 PolarHBondContact O-NH2 2.97Å; F181-R260 CarbonylContact O-C 3.59Å; F181-R260 WeakPolarHBondContact O-CA 3.37Å; V183-R260 HydrophobicContact CG2-CB 3.76Å; D200-R260 IonicContact OD2-NH1 2.82Å; D200-R260 PolarHBondContact OD2-NH1 3.24Å; M202-R260 HydrophobicContact CE-CB 3.78Å; M202-R260 HydrophobicContact CE-CG 3.54Å; M202-R260 HydrophobicContact SD-CB 4.26Å; M202-R260 VanDerWaalsContact SD-CD 3.53Å; M202-R260 HydrophobicContact SD-CG 3.91Å; L252-R260 PolarHBondContact N-O 3.46Å; L252-R260 PolarHBondContact O-N 2.64Å
261I98.7Very high95.8Very high1 Ų129.8 Ų29.81%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-71.6129.2169.5-60.1167.4000108.7F181 I182 V183 I229 L233 M236 Y243 L246 I251F181-I261 PolarHBondContact O-N 3.19Å; I182-I261 WeakPolarHBondContact CA-O 3.49Å; V183-I261 PolarHBondContact N-O 2.79Å; I229-I261 HydrophobicContact CG2-CD1 4.22Å; L233-I261 HydrophobicContact CD2-CD1 4.02Å; L233-I261 HydrophobicContact CG-CD1 4.18Å; M236-I261 HydrophobicContact CE-CB 4.11Å; M236-I261 HydrophobicContact CE-CD1 4.36Å; M236-I261 HydrophobicContact CE-CG2 3.75Å; Y243-I261 HydrophobicContact CD1-CG2 4.21Å; Y243-I261 HydrophobicContact CD2-CG2 3.95Å; Y243-I261 HydrophobicContact CE1-CG2 3.79Å; Y243-I261 HydrophobicContact CE2-CG2 3.51Å; Y243-I261 HydrophobicContact CG-CG2 4.29Å; Y243-I261 VanDerWaalsContact CZ-CG2 3.45Å; L246-I261 HydrophobicContact CD1-CD1 4.46Å; L246-I261 HydrophobicContact CD1-CG1 4.46Å; I251-I261 HydrophobicContact CD1-CB 4.41Å; I251-I261 HydrophobicContact CD1-CG1 3.75Å
262S96.3Very high95.7Very high13 Ų1339 Ų399%0.09120%0.195CC..  trans-121175.8-179.870.40000111.9Y243 N250Y243-S262 WeakPolarHBondContact CE2-O 3.48Å; Y243-S262 PolarHBondContact OH-O 2.84Å; N250-S262 PolarHBondContact O-N 2.96Å; N250-S262 PolarHBondContact O-OG 2.83Å
263D93.1Very high95.7Very high65 Ų6544.3 Ų44.335%0.34822%0.216SC..  trans53.284.7175.4-163.2-2.1000115.1K148 Y243 G265K148-D263 IonicContact NZ-OD1 2.64Å; Y243-D263 VanDerWaalsContact CE2-O 3.3Å; Y243-D263 WeakPolarHBondContact CE2-O 3.49Å; Y243-D263 PolarHBondContact OH-O 2.93Å; D263-G265 VanDerWaalsContact C-N 3.29Å; D263-G265 PolarHBondContact O-N 2.96Å; D263-G265 PolarHBondContact OD1-N 3.42Å
264L96Very high95.8Very high1 Ų149 Ų491%0.00524%0.236CC..  trans-92.315.5-179.7-78.574.1000112.6M170 L171 V174 I182 M236 Y243 L266 A267M170-L264 HydrophobicContact CB-CB 3.94Å; M170-L264 HydrophobicContact CB-CD2 4.18Å; L171-L264 HydrophobicContact CD2-CD1 4.26Å; L171-L264 HydrophobicContact CD2-CD2 4.46Å; V174-L264 HydrophobicContact CB-CD2 4.41Å; V174-L264 HydrophobicContact CG1-CD2 4.1Å; V174-L264 HydrophobicContact CG2-CD2 3.49Å; V174-L264 VanDerWaalsContact CG2-CD2 3.49Å; I182-L264 HydrophobicContact CG2-CD1 4.39Å; M236-L264 HydrophobicContact CE-CD1 4.28Å; M236-L264 HydrophobicContact CE-CD2 4.17Å; M236-L264 HydrophobicContact CE-CG 4.31Å; Y243-L264 HydrophobicContact CD2-CG 4.3Å; Y243-L264 HydrophobicContact CE2-CD1 4.29Å; Y243-L264 HydrophobicContact CE2-CG 4.21Å; L264-L266 PolarHBondContact O-N 2.98Å; L264-A267 HydrophobicContact CB-CB 4.14Å; L264-A267 HydrophobicContact CG-CB 4.41Å; L264-A267 WeakPolarHBondContact O-CB 3.28Å; L264-A267 PolarHBondContact O-N 3.02Å
265G92.1Very high95.9Very high1 Ų148.6 Ų48.61%0.0124%0.235CC..THydrogen-bonded Turntrans-57.9-34.6-177.100000113.3L163 N166 D263L163-G265 WeakPolarHBondContact CD1-O 3.34Å; N166-G265 PolarHBondContact ND2-O 3.4Å; D263-G265 VanDerWaalsContact C-N 3.29Å; D263-G265 PolarHBondContact O-N 2.96Å; D263-G265 PolarHBondContact OD1-N 3.42Å
266L95.1Very high96.1Very high46 Ų4648.1 Ų48.124%0.24123%0.232CC..THydrogen-bonded Turntrans-951177.5-60.4177.9000113.8L163 R244 D245 L264 V279L163-L266 HydrophobicContact CD1-CD2 3.45Å; L163-L266 VanDerWaalsContact CD1-CD2 3.45Å; L163-L266 HydrophobicContact CD1-CG 4.28Å; R244-L266 PolarHBondContact NE-O 3.49Å; R244-L266 PolarHBondContact NH2-O 2.88Å; D245-L266 HydrophobicContact CB-CB 4.27Å; D245-L266 HydrophobicContact CB-CD1 3.95Å; L264-L266 PolarHBondContact O-N 2.98Å; L266-V279 HydrophobicContact CB-CG1 4.1Å; L266-V279 HydrophobicContact CD1-CG1 4.33Å; L266-V279 HydrophobicContact CD2-CG1 3.63Å; L266-V279 HydrophobicContact CG-CG1 4.23Å
267A98Very high96.1Very high0 Ų045.2 Ų45.20%023%0.227CC..  trans-68.8164.417700000111.7N166 M170 V241 V242 Y243 R244 L264N166-A267 PolarHBondContact ND2-O 3.23Å; M170-A267 HydrophobicContact CB-CB 4.15Å; M170-A267 HydrophobicContact CG-CB 3.8Å; M170-A267 HydrophobicContact SD-CB 4.08Å; V241-A267 HydrophobicContact CG1-CB 3.98Å; V242-A267 CarbonylContact O-C 3.52Å; V242-A267 WeakPolarHBondContact O-CA 3.4Å; V242-A267 WeakPolarHBondContact O-CB 3.19Å; Y243-A267 HydrophobicContact CD2-CB 4.48Å; Y243-A267 WeakPolarHBondContact O-CA 3.32Å; R244-A267 PolarHBondContact NH2-O 2.8Å; L264-A267 HydrophobicContact CB-CB 4.14Å; L264-A267 HydrophobicContact CG-CB 4.41Å; L264-A267 WeakPolarHBondContact O-CB 3.28Å; L264-A267 PolarHBondContact O-N 3.02Å
268C98.1Very high96Very high26 Ų2648.1 Ų48.118%0.17625%0.247CC..EExtended strand (participates in β ladder)trans-148136.3-179.7-174.50000112.1M170 V241 V242M170-C268 VanDerWaalsContact SD-CA 3.58Å; V241-C268 WeakPolarHBondContact CA-O 3.5Å; V242-C268 HydrophobicContact CG1-CB 3.96Å; V242-C268 WeakPolarHBondContact CG1-O 3.34Å; V242-C268 PolarHBondContact N-O 3.06Å; V242-C268 PolarHBondContact O-N 2.74Å
269D97.9Very high95.8Very high52 Ų5249.2 Ų49.228%0.27826%0.255SS..EExtended strand (participates in β ladder)trans-76.5121167.7172.913.8000110.2M170 L173 F240 S271M170-D269 HydrophobicContact CE-CB 4.01Å; L173-D269 HydrophobicContact CD1-CB 3.98Å; F240-D269 CarbonylContact O-C 3.53Å; F240-D269 WeakPolarHBondContact O-CA 3.19Å; D269-S271 VanDerWaalsContact CG-OG 3.29Å; D269-S271 WeakPolarHBondContact OD1-CB 3.4Å; D269-S271 PolarHBondContact OD1-N 2.89Å; D269-S271 PolarHBondContact OD1-OG 3.49Å; D269-S271 PolarHBondContact OD2-OG 3.32Å
270F97.4Very high95.6Very high25 Ų2550.1 Ų50.111%0.1126%0.264CS..  trans-108.68.9177.666.6-96.8000113.8F240 V242 K272 D297F240-F270 VanDerWaalsContact C-CD1 3.42Å; F240-F270 HydrophobicContact CB-CD2 4.2Å; F240-F270 HydrophobicContact CB-CE1 4.42Å; F240-F270 HydrophobicContact CB-CE2 4.05Å; F240-F270 HydrophobicContact CB-CG 4.45Å; F240-F270 HydrophobicContact CB-CZ 4.17Å; F240-F270 HydrophobicContact CD1-CD2 4.34Å; F240-F270 AromaticContact CD1-CE2 3.82Å; F240-F270 HydrophobicContact CD1-CE2 3.82Å; F240-F270 HydrophobicContact CD1-CZ 4.4Å; F240-F270 HydrophobicContact CG-CE2 4.44Å; F240-F270 WeakPolarHBondContact O-CD1 3.31Å; F240-F270 VanDerWaalsContact O-CE1 3.31Å; F240-F270 WeakPolarHBondContact O-CE1 3.39Å; F240-F270 WeakPolarHBondContact O-CG 3.39Å; F240-F270 PolarHBondContact O-N 2.96Å; V242-F270 HydrophobicContact CB-CD1 3.94Å; V242-F270 HydrophobicContact CB-CE1 4.1Å; V242-F270 HydrophobicContact CG1-CD1 4.05Å; F270-K272 VanDerWaalsContact C-N 3.27Å; F270-K272 PolarHBondContact O-N 3.46Å; F270-D297 HydrophobicContact CD2-CB 3.96Å; F270-D297 HydrophobicContact CE2-CB 4.01Å; F270-D297 HydrophobicContact CG-CB 4.26Å; F270-D297 HydrophobicContact CZ-CB 4.35Å
271S96.6Very high95.3Very high59 Ų5949.9 Ų49.941%0.41327%0.268SS..SBendtrans-59-35.9-179.661.40000113.4D269D269-S271 VanDerWaalsContact CG-OG 3.29Å; D269-S271 WeakPolarHBondContact OD1-CB 3.4Å; D269-S271 PolarHBondContact OD1-N 2.89Å; D269-S271 PolarHBondContact OD1-OG 3.49Å; D269-S271 PolarHBondContact OD2-OG 3.32Å
272K95.3Very high95Very high194 Ų19452.1 Ų52.184%0.84328%0.278SS*.SBendtrans-101.8-40-179.3-65.8178.5-177173.30113F270F270-K272 VanDerWaalsContact C-N 3.27Å; F270-K272 PolarHBondContact O-N 3.46Å
273K95.5Very high94.9Very high154 Ų15451.6 Ų51.667%0.6728%0.275SS*.SBendtrans-148.7126.2-175.4-175.2177.8179.9179.70110
274K95.9Very high95Very high98 Ų9849.2 Ų49.243%0.42626%0.261SS..  trans-65.9132.8173.8-68.8-166.9-175.7-164.20111.2A295 Y296 D297K274-A295 HydrophobicContact CB-CB 3.91Å; K274-Y296 WeakPolarHBondContact CB-O 3.38Å; K274-D297 HydrophobicContact CD-CB 4.34Å; K274-D297 IonicContact NZ-OD2 3.29Å; K274-D297 PolarHBondContact NZ-OD2 3.34Å
275P95.1Very high95.1Very high13 Ų1349.5 Ų49.58%0.08426%0.262CS..  trans-65.8157.4170.329-37.1000111.4V242 A295 Y296V242-P275 HydrophobicContact CG1-CG 4.22Å; P275-A295 CarbonylContact O-C 3.56Å; P275-A295 VanDerWaalsContact O-CA 3.27Å; P275-A295 WeakPolarHBondContact O-CA 3.46Å; P275-Y296 HydrophobicContact CB-CE1 4.3Å; P275-Y296 HydrophobicContact CB-CE2 4.1Å; P275-Y296 VanDerWaalsContact CD-O 3.29Å; P275-Y296 WeakPolarHBondContact CD-O 3.26Å; P275-Y296 HydrophobicContact CG-CD2 3.87Å; P275-Y296 HydrophobicContact CG-CE1 4.36Å; P275-Y296 HydrophobicContact CG-CE2 3.46Å; P275-Y296 VanDerWaalsContact CG-CE2 3.46Å; P275-Y296 HydrophobicContact CG-CG 4.46Å; P275-Y296 WeakPolarHBondContact O-CD1 3.46Å; P275-Y296 PolarHBondContact O-N 3.18Å
276H94.7Very high95.4Very high95 Ų9549.4 Ų49.444%0.4426%0.262SS..  trans-139.51.7176.159.5-82.8000112.3T294H276-T294 WeakPolarHBondContact CA-O 3.22Å
277A92.4Very high95.5Very high46 Ų4647.5 Ų47.538%0.3825%0.252SS..SBendtrans-79.9138.2-179.700000109.6V279 Y296A277-V279 HydrophobicContact CB-CG2 3.88Å; A277-V279 PolarHBondContact O-N 3.08Å; A277-V279 VanDerWaalsContact O-N 3.14Å; A277-Y296 WeakPolarHBondContact O-CE1 3.42Å; A277-Y296 PolarHBondContact O-OH 3.01Å
278S94Very high95.4Very high62 Ų6248 Ų4843%0.43425%0.254SS..  trans-75.7101.6172.6-169.90000109.1V289S278-V289 WeakPolarHBondContact CA-O 3.36Å; S278-V289 WeakPolarHBondContact CB-O 3.44Å; S278-V289 PolarHBondContact OG-O 2.87Å
279V92.9Very high95.4Very high38 Ų3847 Ų4723%0.2325%0.247CC..  trans-138.6131.9-174.7-179.70000108.2L266 A277L266-V279 HydrophobicContact CB-CG1 4.1Å; L266-V279 HydrophobicContact CD1-CG1 4.33Å; L266-V279 HydrophobicContact CD2-CG1 3.63Å; L266-V279 HydrophobicContact CG-CG1 4.23Å; A277-V279 HydrophobicContact CB-CG2 3.88Å; A277-V279 PolarHBondContact O-N 3.08Å; A277-V279 VanDerWaalsContact O-N 3.14Å
280G93.3Very high95.3Very high20 Ų2045.5 Ų45.521%0.20624%0.239CC..SBendtrans142.1-178.7179.300000111.7R244R244-G280 WeakPolarHBondContact O-CA 3.5Å
281T92.8Very high95.1Very high39 Ų3948.8 Ų48.824%0.23926%0.255CS..  trans-85.4126.4176.2-630000111.3D245 K247 G283 Y284 M285D245-T281 WeakPolarHBondContact OD1-CB 3.33Å; D245-T281 PolarHBondContact OD1-N 3.46Å; D245-T281 PolarHBondContact OD1-OG1 3.09Å; K247-T281 HydrophobicContact CD-CG2 4.23Å; K247-T281 WeakPolarHBondContact CD-OG1 3.27Å; K247-T281 PolarHBondContact NZ-OG1 3.15Å; T281-G283 PolarHBondContact O-N 2.91Å; T281-Y284 HydrophobicContact CG2-CD2 3.81Å; T281-Y284 HydrophobicContact CG2-CE2 3.92Å; T281-Y284 PolarHBondContact O-N 2.75Å; T281-Y284 VanDerWaalsContact O-N 3.08Å; T281-M285 PolarHBondContact O-N 2.88Å
282H93Very high94.3Very high48 Ų4855.5 Ų55.522%0.22228%0.277CS..THydrogen-bonded Turntrans-55.4132.5174.6-64.8-85.7000111.9M285 R320 I330 D331H282-M285 HydrophobicContact CB-CE 4.39Å; H282-M285 WeakPolarHBondContact ND1-CE 3.3Å; H282-R320 PolarHBondContact O-NH2 2.98Å; H282-I330 HydrophobicContact CB-CG2 4.49Å; H282-D331 IonicContact CE1-OD1 3.75Å; H282-D331 IonicContact CE1-OD2 3.29Å; H282-D331 PolarHBondContact CE1-OD2 3.36Å; H282-D331 VanDerWaalsContact CE1-OD2 3.29Å; H282-D331 IonicContact CG-OD1 2.7Å; H282-D331 IonicContact ND1-OD1 2.81Å; H282-D331 PolarHBondContact ND1-OD1 2.83Å; H282-D331 IonicContact ND1-OD2 3.14Å; H282-D331 PolarHBondContact ND1-OD2 3.05Å; H282-D331 VanDerWaalsContact ND1-OD2 3.14Å
283G93.4Very high93.9Very high1 Ų149.2 Ų49.21%0.0127%0.266CS..THydrogen-bonded Turntrans93.2-0.1-173.300000114.6T281 S317T281-G283 PolarHBondContact O-N 2.91Å; G283-S317 PolarHBondContact O-OG 3.19Å
284Y96.6Very high93.8Very high15 Ų1544.1 Ų44.16%0.05925%0.249CC..THydrogen-bonded Turntrans-128.6-22.9169.3-52.4-93.2000112.6L246 K247 T281 A286 S304 C307 M308 K311L246-Y284 WeakPolarHBondContact O-CD1 3.27Å; K247-Y284 HydrophobicContact CB-CD1 4.43Å; K247-Y284 HydrophobicContact CB-CD2 4.27Å; K247-Y284 HydrophobicContact CB-CE1 4.13Å; K247-Y284 HydrophobicContact CB-CE2 3.95Å; K247-Y284 HydrophobicContact CB-CG 4.49Å; T281-Y284 HydrophobicContact CG2-CD2 3.81Å; T281-Y284 HydrophobicContact CG2-CE2 3.92Å; T281-Y284 PolarHBondContact O-N 2.75Å; T281-Y284 VanDerWaalsContact O-N 3.08Å; Y284-A286 PolarHBondContact O-N 2.75Å; Y284-S304 PolarHBondContact O-OG 2.81Å; Y284-S304 VanDerWaalsContact O-OG 3.06Å; Y284-C307 HydrophobicContact CD1-CB 3.69Å; Y284-C307 HydrophobicContact CE1-CB 4.45Å; Y284-C307 HydrophobicContact CG-CB 4.36Å; Y284-M308 HydrophobicContact CE1-CB 4.46Å; Y284-K311 HydrophobicContact CE1-CD 4.39Å; Y284-K311 WeakPolarHBondContact OH-CD 3.5Å; Y284-K311 PolarHBondContact OH-NZ 2.9Å
285M97.3Very high93.8Very high7 Ų742.3 Ų42.33%0.03425%0.251CS..  trans-58.7133.7177.3-70.4-171.6-76.400112.1T281 H282 V289 L290 T334T281-M285 PolarHBondContact O-N 2.88Å; H282-M285 HydrophobicContact CB-CE 4.39Å; H282-M285 WeakPolarHBondContact ND1-CE 3.3Å; M285-V289 HydrophobicContact CB-CG1 4.41Å; M285-V289 HydrophobicContact CG-CG1 4.35Å; M285-V289 HydrophobicContact SD-CG1 4.2Å; M285-L290 HydrophobicContact CB-CD2 4Å; M285-L290 HydrophobicContact CB-CG 4.13Å; M285-L290 HydrophobicContact CE-CD2 3.61Å; M285-L290 HydrophobicContact SD-CD2 4.07Å; M285-T334 WeakPolarHBondContact O-CG2 3.38Å
286A97.6Very high93.9Very high0 Ų041.8 Ų41.80%025%0.248CC..  trans-72.5157.7178.100000113Y284 E288 V289 L290 A300 F303Y284-A286 PolarHBondContact O-N 2.75Å; A286-E288 VanDerWaalsContact C-N 3.32Å; A286-E288 WeakPolarHBondContact CB-OE1 3.36Å; A286-E288 WeakPolarHBondContact CB-OE2 3.46Å; A286-E288 PolarHBondContact O-N 3.33Å; A286-V289 HydrophobicContact CB-CG2 4.15Å; A286-V289 WeakPolarHBondContact O-CB 3.5Å; A286-V289 PolarHBondContact O-N 2.87Å; A286-L290 PolarHBondContact O-N 3.22Å; A286-L290 VanDerWaalsContact O-N 3.11Å; A286-A300 HydrophobicContact CB-CB 4.36Å; A286-F303 VanDerWaalsContact CA-CD1 3.44Å; A286-F303 HydrophobicContact CB-CB 3.66Å; A286-F303 HydrophobicContact CB-CD1 3.82Å; A286-F303 HydrophobicContact CB-CG 3.76Å
287P97.3Very high94.1Very high5 Ų538.9 Ų38.93%0.03224%0.235CC..Hα-helixtrans-52.3-44.8178.3-30.638.2000114.2V289 L290 Q291 F303 T334 L335 R359P287-V289 PolarHBondContact O-N 2.9Å; P287-L290 PolarHBondContact O-N 2.82Å; P287-Q291 WeakPolarHBondContact O-CG 3.39Å; P287-Q291 PolarHBondContact O-N 3.28Å; P287-F303 HydrophobicContact CG-CE2 4.22Å; P287-F303 HydrophobicContact CG-CZ 4.39Å; P287-T334 HydrophobicContact CG-CG2 4.08Å; P287-L335 HydrophobicContact CB-CD2 3.98Å; P287-R359 HydrophobicContact CG-CB 4.07Å; P287-R359 HydrophobicContact CG-CG 3.92Å
288E97.5Very high94.4Very high12 Ų1238 Ų386%0.05623%0.226CC..Hα-helixtrans-69-21179.569.2-78.4-178.800113.5A286 T294 Y296 A300 V361 R364A286-E288 VanDerWaalsContact C-N 3.32Å; A286-E288 WeakPolarHBondContact CB-OE1 3.36Å; A286-E288 WeakPolarHBondContact CB-OE2 3.46Å; A286-E288 PolarHBondContact O-N 3.33Å; E288-T294 HydrophobicContact CB-CG2 3.9Å; E288-Y296 HydrophobicContact CG-CG 4.47Å; E288-A300 PolarHBondContact OE1-N 3.23Å; E288-V361 HydrophobicContact CB-CG2 4.37Å; E288-V361 HydrophobicContact CG-CG2 4.04Å; E288-R364 IonicContact OE1-CZ 3.33Å; E288-R364 IonicContact OE1-NH1 3.64Å; E288-R364 PolarHBondContact OE1-NH1 3.29Å; E288-R364 IonicContact OE1-NH2 2.93Å; E288-R364 IonicContact OE2-CZ 2.67Å; E288-R364 IonicContact OE2-NH1 3.01Å; E288-R364 PolarHBondContact OE2-NH1 3.46Å; E288-R364 IonicContact OE2-NH2 2.84Å; E288-R364 PolarHBondContact OE2-NH2 2.87Å
289V97.3Very high94.6Very high3 Ų335.1 Ų35.12%0.01821%0.207CC..Hα-helixtrans-80.6-35173.1179.70000110.9S278 M285 A286 P287 Y296 A300S278-V289 WeakPolarHBondContact CA-O 3.36Å; S278-V289 WeakPolarHBondContact CB-O 3.44Å; S278-V289 PolarHBondContact OG-O 2.87Å; M285-V289 HydrophobicContact CB-CG1 4.41Å; M285-V289 HydrophobicContact CG-CG1 4.35Å; M285-V289 HydrophobicContact SD-CG1 4.2Å; A286-V289 HydrophobicContact CB-CG2 4.15Å; A286-V289 WeakPolarHBondContact O-CB 3.5Å; A286-V289 PolarHBondContact O-N 2.87Å; P287-V289 PolarHBondContact O-N 2.9Å; V289-Y296 HydrophobicContact CB-CD1 4.43Å; V289-Y296 HydrophobicContact CB-CE1 4.23Å; V289-Y296 HydrophobicContact CG1-CE1 4.13Å; V289-Y296 HydrophobicContact CG2-CD1 3.93Å; V289-Y296 HydrophobicContact CG2-CD2 3.88Å; V289-Y296 HydrophobicContact CG2-CE1 3.96Å; V289-Y296 HydrophobicContact CG2-CE2 3.9Å; V289-Y296 HydrophobicContact CG2-CG 3.9Å; V289-A300 HydrophobicContact CG2-CB 3.55Å
290L95.7Very high94.8Very high21 Ų2133.4 Ų33.411%0.1120%0.196CC..Hα-helixtrans-74.4-30.3177.8-68174.4000112.5M285 A286 P287 K292 D331 T334 L335M285-L290 HydrophobicContact CB-CD2 4Å; M285-L290 HydrophobicContact CB-CG 4.13Å; M285-L290 HydrophobicContact CE-CD2 3.61Å; M285-L290 HydrophobicContact SD-CD2 4.07Å; A286-L290 PolarHBondContact O-N 3.22Å; A286-L290 VanDerWaalsContact O-N 3.11Å; P287-L290 PolarHBondContact O-N 2.82Å; L290-K292 PolarHBondContact O-N 2.73Å; L290-D331 HydrophobicContact CD1-CB 4.07Å; L290-D331 HydrophobicContact CD2-CB 4.19Å; L290-T334 HydrophobicContact CD1-CG2 3.72Å; L290-L335 HydrophobicContact CB-CD2 4.37Å; L290-L335 HydrophobicContact CD1-CG 4.41Å
291Q92.3Very high95.1Very high94 Ų9432.4 Ų32.444%0.43919%0.186SC..SBendtrans-74.5110.7178.6-72.8175.615.300111.4P287 G293 T294 L335P287-Q291 WeakPolarHBondContact O-CG 3.39Å; P287-Q291 PolarHBondContact O-N 3.28Å; Q291-G293 PolarHBondContact O-N 3.34Å; Q291-T294 WeakPolarHBondContact CB-OG1 3.46Å; Q291-T294 WeakPolarHBondContact O-CB 3.34Å; Q291-T294 PolarHBondContact O-N 3.45Å; Q291-T294 PolarHBondContact OE1-OG1 3.38Å; Q291-L335 HydrophobicContact CG-CD2 4.1Å
292K81.3Confident95.4Very high201 Ų20130.6 Ų30.687%0.87418%0.175SC*.THydrogen-bonded Turntrans-58.4127.3178.3-69.6-177.2179.6178.50111.2L290 T294L290-K292 PolarHBondContact O-N 2.73Å; K292-T294 VanDerWaalsContact C-N 3.29Å
293G85.4Confident95.7Very high61 Ų6128.3 Ų28.363%0.62916%0.164SC*.THydrogen-bonded Turntrans86.6-6.2176.700000114.4Q291Q291-G293 PolarHBondContact O-N 3.34Å
294T94.1Very high95.9Very high48 Ų4828.3 Ų28.329%0.29416%0.164SC..  trans-79.4123171.7-58.30000109.1H276 E288 Q291 K292H276-T294 WeakPolarHBondContact CA-O 3.22Å; E288-T294 HydrophobicContact CB-CG2 3.9Å; Q291-T294 WeakPolarHBondContact CB-OG1 3.46Å; Q291-T294 WeakPolarHBondContact O-CB 3.34Å; Q291-T294 PolarHBondContact O-N 3.45Å; Q291-T294 PolarHBondContact OE1-OG1 3.38Å; K292-T294 VanDerWaalsContact C-N 3.29Å
295A96.8Very high96Very high59 Ų5927.6 Ų27.649%0.48816%0.162SC..  trans-80.7141.1175.700000110.6K274 P275K274-A295 HydrophobicContact CB-CB 3.91Å; P275-A295 CarbonylContact O-C 3.56Å; P275-A295 VanDerWaalsContact O-CA 3.27Å; P275-A295 WeakPolarHBondContact O-CA 3.46Å
296Y97.4Very high96.1Very high3 Ų327.3 Ų27.31%0.01216%0.16CC..  trans-138171.9-178.262.4-95.1000112R244 K274 P275 A277 E288 V289 A300R244-Y296 VanDerWaalsContact CD-OH 3.28Å; R244-Y296 WeakPolarHBondContact CD-OH 3.28Å; R244-Y296 HydrophobicContact CG-CE2 4.25Å; R244-Y296 PolarHBondContact NH1-OH 3.41Å; K274-Y296 WeakPolarHBondContact CB-O 3.38Å; P275-Y296 HydrophobicContact CB-CE1 4.3Å; P275-Y296 HydrophobicContact CB-CE2 4.1Å; P275-Y296 VanDerWaalsContact CD-O 3.29Å; P275-Y296 WeakPolarHBondContact CD-O 3.26Å; P275-Y296 HydrophobicContact CG-CD2 3.87Å; P275-Y296 HydrophobicContact CG-CE1 4.36Å; P275-Y296 HydrophobicContact CG-CE2 3.46Å; P275-Y296 VanDerWaalsContact CG-CE2 3.46Å; P275-Y296 HydrophobicContact CG-CG 4.46Å; P275-Y296 WeakPolarHBondContact O-CD1 3.46Å; P275-Y296 PolarHBondContact O-N 3.18Å; A277-Y296 WeakPolarHBondContact O-CE1 3.42Å; A277-Y296 PolarHBondContact O-OH 3.01Å; E288-Y296 HydrophobicContact CG-CG 4.47Å; V289-Y296 HydrophobicContact CB-CD1 4.43Å; V289-Y296 HydrophobicContact CB-CE1 4.23Å; V289-Y296 HydrophobicContact CG1-CE1 4.13Å; V289-Y296 HydrophobicContact CG2-CD1 3.93Å; V289-Y296 HydrophobicContact CG2-CD2 3.88Å; V289-Y296 HydrophobicContact CG2-CE1 3.96Å; V289-Y296 HydrophobicContact CG2-CE2 3.9Å; V289-Y296 HydrophobicContact CG2-CG 3.9Å; Y296-A300 HydrophobicContact CD2-CB 4.08Å; Y296-A300 HydrophobicContact CE2-CB 4.49Å
297D97.6Very high96.1Very high33 Ų3327.3 Ų27.318%0.17616%0.16CC..  trans-142.4-147.7-178.15326.6000109.8V242 F270 K274 S299 A300V242-D297 VanDerWaalsContact CG2-O 3.28Å; V242-D297 WeakPolarHBondContact CG2-O 3.45Å; F270-D297 HydrophobicContact CD2-CB 3.96Å; F270-D297 HydrophobicContact CE2-CB 4.01Å; F270-D297 HydrophobicContact CG-CB 4.26Å; F270-D297 HydrophobicContact CZ-CB 4.35Å; K274-D297 HydrophobicContact CD-CB 4.34Å; K274-D297 IonicContact NZ-OD2 3.29Å; K274-D297 PolarHBondContact NZ-OD2 3.34Å; D297-S299 PolarHBondContact O-N 2.95Å; D297-S299 VanDerWaalsContact OD1-CB 3.31Å; D297-S299 WeakPolarHBondContact OD1-CB 3.49Å; D297-S299 PolarHBondContact OD1-N 2.84Å; D297-S299 PolarHBondContact OD1-OG 3.32Å; D297-A300 PolarHBondContact O-N 2.93Å
298S98.1Very high96.1Very high27 Ų2727 Ų2719%0.18916%0.159CC..THydrogen-bonded Turntrans-54.5-19.3176.349.20000114.6H237 A300 D301H237-S298 WeakPolarHBondContact ND1-CB 3.46Å; S298-A300 PolarHBondContact O-N 3Å; S298-A300 VanDerWaalsContact O-N 3.12Å; S298-D301 PolarHBondContact O-N 2.98Å
299S98.4Very high96.2Very high3 Ų326.5 Ų26.52%0.02116%0.156CC..Hα-helixtrans-50.3-34174.545.50000114.3D297 D301 W302 R364 C367D297-S299 PolarHBondContact O-N 2.95Å; D297-S299 VanDerWaalsContact OD1-CB 3.31Å; D297-S299 WeakPolarHBondContact OD1-CB 3.49Å; D297-S299 PolarHBondContact OD1-N 2.84Å; D297-S299 PolarHBondContact OD1-OG 3.32Å; S299-D301 VanDerWaalsContact C-N 3.31Å; S299-D301 PolarHBondContact O-N 3.4Å; S299-W302 PolarHBondContact O-N 3.12Å; S299-R364 PolarHBondContact O-NH1 3.34Å; S299-C367 VanDerWaalsContact CB-SG 3.54Å
300A98.5Very high96.2Very high1 Ų126.8 Ų26.81%0.00816%0.157CC..Hα-helixtrans-64-35.1179.800000113.1V242 A286 E288 V289 Y296 D297 S298 S304V242-A300 HydrophobicContact CG2-CB 4.2Å; A286-A300 HydrophobicContact CB-CB 4.36Å; E288-A300 PolarHBondContact OE1-N 3.23Å; V289-A300 HydrophobicContact CG2-CB 3.55Å; Y296-A300 HydrophobicContact CD2-CB 4.08Å; Y296-A300 HydrophobicContact CE2-CB 4.49Å; D297-A300 PolarHBondContact O-N 2.93Å; S298-A300 PolarHBondContact O-N 3Å; S298-A300 VanDerWaalsContact O-N 3.12Å; A300-S304 PolarHBondContact O-N 2.88Å; A300-S304 VanDerWaalsContact O-N 3.1Å; A300-S304 PolarHBondContact O-OG 3.23Å
301D98.8Very high96.2Very high0 Ų027.3 Ų27.30%016%0.158CC..Hα-helixtrans-74.8-33.5-176.2-66.6-28.2000111.6L233 H237 V242 Y243 R244 S298 S299 F303 S304 L305L233-D301 HydrophobicContact CD1-CB 4.32Å; L233-D301 HydrophobicContact CD2-CB 3.97Å; H237-D301 IonicContact CD2-OD2 3.21Å; H237-D301 IonicContact CE1-OD2 3.44Å; H237-D301 IonicContact NE2-OD2 2.65Å; H237-D301 PolarHBondContact NE2-OD2 3.01Å; V242-D301 WeakPolarHBondContact CG2-OD2 3.32Å; Y243-D301 PolarHBondContact N-OD1 2.88Å; Y243-D301 PolarHBondContact N-OD2 3.46Å; R244-D301 PolarHBondContact N-OD1 2.73Å; S298-D301 PolarHBondContact O-N 2.98Å; S299-D301 VanDerWaalsContact C-N 3.31Å; S299-D301 PolarHBondContact O-N 3.4Å; D301-F303 VanDerWaalsContact C-N 3.35Å; D301-F303 PolarHBondContact O-N 3.4Å; D301-S304 CarbonylContact O-C 3.58Å; D301-S304 PolarHBondContact O-N 2.95Å; D301-L305 WeakPolarHBondContact O-CB 3.25Å; D301-L305 PolarHBondContact O-N 2.9Å
302W98.8Very high96.5Very high0 Ų022.9 Ų22.90%014%0.138CC..Hα-helixtrans-65.3-38.5175.8-62.8129.1000112.6I230 L233 H237 S299 L305 G306 L356 G366 A372 V375I230-W302 HydrophobicContact CG1-CZ3 4.29Å; I230-W302 HydrophobicContact CG2-CH2 4.42Å; I230-W302 HydrophobicContact CG2-CZ3 4.49Å; L233-W302 HydrophobicContact CB-CH2 4.27Å; L233-W302 HydrophobicContact CB-CZ3 4.46Å; L233-W302 HydrophobicContact CD1-CE3 4.21Å; L233-W302 HydrophobicContact CD1-CZ3 3.93Å; H237-W302 AromaticContact CE1-CE2 3.88Å; H237-W302 AromaticContact CE1-CZ2 3.88Å; H237-W302 AromaticContact ND1-CE2 3.9Å; H237-W302 AromaticContact ND1-CZ2 3.61Å; S299-W302 PolarHBondContact O-N 3.12Å; W302-L305 HydrophobicContact CE3-CD2 3.82Å; W302-L305 HydrophobicContact CZ3-CD2 3.92Å; W302-L305 WeakPolarHBondContact O-CB 3.47Å; W302-L305 PolarHBondContact O-N 3.04Å; W302-G306 PolarHBondContact O-N 3.18Å; W302-G306 VanDerWaalsContact O-N 3.13Å; W302-L356 HydrophobicContact CB-CD2 4.16Å; W302-G366 PolarHBondContact NE1-O 3.4Å; W302-A372 HydrophobicContact CH2-CB 3.71Å; W302-A372 HydrophobicContact CZ2-CB 3.84Å; W302-V375 HydrophobicContact CD2-CG2 4.15Å; W302-V375 HydrophobicContact CE3-CG2 3.82Å; W302-V375 HydrophobicContact CH2-CG2 4.2Å; W302-V375 HydrophobicContact CZ2-CG2 4.47Å; W302-V375 HydrophobicContact CZ3-CB 4.45Å; W302-V375 HydrophobicContact CZ3-CG2 3.85Å
303F98.7Very high97.2Very high0 Ų014 Ų140%010%0.099CC..Hα-helixtrans-66.3-43.6172.4-173.4-86.9000111.7A286 P287 D301 L305 G306 C307 F319 T334 L356 L357A286-F303 VanDerWaalsContact CA-CD1 3.44Å; A286-F303 HydrophobicContact CB-CB 3.66Å; A286-F303 HydrophobicContact CB-CD1 3.82Å; A286-F303 HydrophobicContact CB-CG 3.76Å; P287-F303 HydrophobicContact CG-CE2 4.22Å; P287-F303 HydrophobicContact CG-CZ 4.39Å; D301-F303 VanDerWaalsContact C-N 3.35Å; D301-F303 PolarHBondContact O-N 3.4Å; F303-L305 PolarHBondContact O-N 3.16Å; F303-G306 PolarHBondContact O-N 2.98Å; F303-C307 WeakPolarHBondContact CE1-SG 3.48Å; F303-C307 PolarHBondContact O-N 3.45Å; F303-C307 PolarHBondContact O-SG 3.48Å; F303-C307 VanDerWaalsContact O-SG 3.39Å; F303-F319 HydrophobicContact CE1-CD2 4.5Å; F303-F319 AromaticContact CE1-CE2 3.71Å; F303-F319 HydrophobicContact CE1-CE2 3.71Å; F303-F319 HydrophobicContact CE1-CZ 4.37Å; F303-F319 HydrophobicContact CE2-CE2 4.42Å; F303-F319 HydrophobicContact CE2-CZ 4.33Å; F303-F319 HydrophobicContact CZ-CD2 4.42Å; F303-F319 AromaticContact CZ-CE2 3.35Å; F303-F319 HydrophobicContact CZ-CE2 3.35Å; F303-F319 AromaticContact CZ-CZ 3.56Å; F303-F319 HydrophobicContact CZ-CZ 3.56Å; F303-T334 HydrophobicContact CE1-CG2 3.97Å; F303-T334 HydrophobicContact CZ-CG2 3.79Å; F303-L356 WeakPolarHBondContact CA-O 3.45Å; F303-L357 HydrophobicContact CD2-CD2 4.24Å; F303-L357 HydrophobicContact CE1-CD2 4.43Å; F303-L357 HydrophobicContact CE2-CB 4.38Å; F303-L357 HydrophobicContact CE2-CD2 4.04Å; F303-L357 HydrophobicContact CZ-CD2 4.15Å
304S98.7Very high97.7Very high2 Ų216.1 Ų16.11%0.0149%0.089CC..Hα-helixtrans-61.7-35.9177-54.30000111.4Y284 A300 D301 C307 M308Y284-S304 PolarHBondContact O-OG 2.81Å; Y284-S304 VanDerWaalsContact O-OG 3.06Å; A300-S304 PolarHBondContact O-N 2.88Å; A300-S304 VanDerWaalsContact O-N 3.1Å; A300-S304 PolarHBondContact O-OG 3.23Å; D301-S304 CarbonylContact O-C 3.58Å; D301-S304 PolarHBondContact O-N 2.95Å; S304-C307 WeakPolarHBondContact O-CB 3.4Å; S304-C307 PolarHBondContact O-N 3.45Å; S304-M308 WeakPolarHBondContact O-CB 3.36Å; S304-M308 PolarHBondContact O-N 3.44Å
305L98.9Very high97.6Very high0 Ų015.6 Ų15.60%09%0.093CC..Hα-helixtrans-60.3-51.9173.1179.165.3000110.1I229 I230 L233 L246 D301 W302 F303 C307 M308 L309 L356I229-L305 HydrophobicContact CG2-CD1 3.98Å; I230-L305 HydrophobicContact CD1-CD2 4.36Å; I230-L305 HydrophobicContact CG1-CD2 3.76Å; L233-L305 HydrophobicContact CD1-CB 4.46Å; L233-L305 HydrophobicContact CD1-CD2 4.46Å; L246-L305 HydrophobicContact CD2-CB 3.9Å; L246-L305 HydrophobicContact CD2-CD1 4.13Å; D301-L305 WeakPolarHBondContact O-CB 3.25Å; D301-L305 PolarHBondContact O-N 2.9Å; W302-L305 HydrophobicContact CE3-CD2 3.82Å; W302-L305 HydrophobicContact CZ3-CD2 3.92Å; W302-L305 WeakPolarHBondContact O-CB 3.47Å; W302-L305 PolarHBondContact O-N 3.04Å; F303-L305 PolarHBondContact O-N 3.16Å; L305-C307 VanDerWaalsContact C-N 3.27Å; L305-C307 PolarHBondContact O-N 3.33Å; L305-M308 HydrophobicContact CD1-CE 3.67Å; L305-M308 PolarHBondContact O-N 3.14Å; L305-L309 HydrophobicContact CD1-CD1 4.24Å; L305-L309 HydrophobicContact CD1-CD2 3.97Å; L305-L309 HydrophobicContact CD1-CG 3.99Å; L305-L309 HydrophobicContact CG-CD1 4.13Å; L305-L309 HydrophobicContact CG-CG 4.2Å; L305-L309 VanDerWaalsContact O-CG 3.31Å; L305-L309 WeakPolarHBondContact O-CG 3.33Å; L305-L309 PolarHBondContact O-N 3.34Å; L305-L356 HydrophobicContact CD2-CD1 4.3Å; L305-L356 HydrophobicContact CD2-CD2 4.49Å; L305-L356 HydrophobicContact CG-CD1 4.34Å
306G98.6Very high97.4Very high0 Ų016.6 Ų16.60%09%0.087CC..Hα-helixtrans-53.5-43.2175.400000112.9W302 F303 F310W302-G306 PolarHBondContact O-N 3.18Å; W302-G306 VanDerWaalsContact O-N 3.13Å; F303-G306 PolarHBondContact O-N 2.98Å; G306-F310 WeakPolarHBondContact O-CB 3.38Å; G306-F310 PolarHBondContact O-N 2.83Å
307C98.3Very high97.1Very high0 Ų016.7 Ų16.70%09%0.088CC..Hα-helixtrans-63.7-42.6176.8-66.40000112.6Y284 F303 S304 L305 K311 P318Y284-C307 HydrophobicContact CD1-CB 3.69Å; Y284-C307 HydrophobicContact CE1-CB 4.45Å; Y284-C307 HydrophobicContact CG-CB 4.36Å; F303-C307 WeakPolarHBondContact CE1-SG 3.48Å; F303-C307 PolarHBondContact O-N 3.45Å; F303-C307 PolarHBondContact O-SG 3.48Å; F303-C307 VanDerWaalsContact O-SG 3.39Å; S304-C307 WeakPolarHBondContact O-CB 3.4Å; S304-C307 PolarHBondContact O-N 3.45Å; L305-C307 VanDerWaalsContact C-N 3.27Å; L305-C307 PolarHBondContact O-N 3.33Å; C307-K311 PolarHBondContact O-N 3.15Å; C307-K311 VanDerWaalsContact O-N 3.09Å; C307-P318 HydrophobicContact CB-CG 4.28Å
308M97.9Very high96.8Very high0 Ų015.6 Ų15.60%08%0.083CC..Hα-helixtrans-67.4-45.9179.3-177.5-163.476.200111.5I229 L246 P248 I251 Y284 S304 L305 F310 K311 L312I229-M308 HydrophobicContact CD1-CE 3.28Å; I229-M308 HydrophobicContact CD1-SD 3.91Å; I229-M308 HydrophobicContact CG1-CE 4.48Å; I229-M308 HydrophobicContact CG2-CE 4.24Å; L246-M308 HydrophobicContact CD1-SD 4.21Å; L246-M308 HydrophobicContact CD2-SD 4.28Å; L246-M308 HydrophobicContact CG-SD 3.86Å; P248-M308 HydrophobicContact CG-CG 4.09Å; I251-M308 HydrophobicContact CG1-SD 4.06Å; Y284-M308 HydrophobicContact CE1-CB 4.46Å; S304-M308 WeakPolarHBondContact O-CB 3.36Å; S304-M308 PolarHBondContact O-N 3.44Å; L305-M308 HydrophobicContact CD1-CE 3.67Å; L305-M308 PolarHBondContact O-N 3.14Å; M308-F310 PolarHBondContact O-N 2.93Å; M308-K311 WeakPolarHBondContact O-CA 3.4Å; M308-K311 WeakPolarHBondContact O-CB 3.28Å; M308-K311 PolarHBondContact O-N 3.05Å; M308-K311 VanDerWaalsContact O-N 3.1Å; M308-L312 WeakPolarHBondContact O-CG 3.25Å; M308-L312 PolarHBondContact O-N 3.26Å
309L98.4Very high96.5Very high0 Ų014.6 Ų14.60%08%0.076CC..Hα-helixtrans-62.1-44178.5-61.1-171.7000111.3M222 A226 L305 K311 L312 L313 L352 L353 L356M222-L309 HydrophobicContact CG-CB 4.37Å; M222-L309 HydrophobicContact CG-CD2 4.06Å; M222-L309 HydrophobicContact SD-CB 4Å; M222-L309 HydrophobicContact SD-CD1 3.89Å; M222-L309 HydrophobicContact SD-CD2 3.67Å; M222-L309 HydrophobicContact SD-CG 4.02Å; A226-L309 HydrophobicContact CB-CD1 3.97Å; A226-L309 HydrophobicContact CB-CD2 3.67Å; A226-L309 HydrophobicContact CB-CG 4.48Å; L305-L309 HydrophobicContact CD1-CD1 4.24Å; L305-L309 HydrophobicContact CD1-CD2 3.97Å; L305-L309 HydrophobicContact CD1-CG 3.99Å; L305-L309 HydrophobicContact CG-CD1 4.13Å; L305-L309 HydrophobicContact CG-CG 4.2Å; L305-L309 VanDerWaalsContact O-CG 3.31Å; L305-L309 WeakPolarHBondContact O-CG 3.33Å; L305-L309 PolarHBondContact O-N 3.34Å; L309-K311 VanDerWaalsContact C-N 3.27Å; L309-K311 PolarHBondContact O-N 2.89Å; L309-L312 HydrophobicContact CD2-CD1 4.42Å; L309-L312 PolarHBondContact O-N 2.67Å; L309-L312 VanDerWaalsContact O-N 3.15Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.93Å; L309-L352 HydrophobicContact CD1-CD2 4.42Å; L309-L353 HydrophobicContact CB-CD2 4.18Å; L309-L356 HydrophobicContact CD1-CD1 4.33Å
310F97.8Very high95.7Very high10 Ų1018.7 Ų18.74%0.0449%0.091CC..Hα-helixtrans-57-42.8173-176.6-80000111.4G306 M308 L312 L313 R314 H316 P318 V339 L341 F345 L353G306-F310 WeakPolarHBondContact O-CB 3.38Å; G306-F310 PolarHBondContact O-N 2.83Å; M308-F310 PolarHBondContact O-N 2.93Å; F310-L312 PolarHBondContact O-N 2.84Å; F310-L313 PolarHBondContact O-N 3.01Å; F310-R314 HydrophobicContact CD1-CB 4.12Å; F310-R314 HydrophobicContact CD1-CG 4.11Å; F310-R314 HydrophobicContact CD2-CG 4.48Å; F310-R314 HydrophobicContact CE1-CB 3.73Å; F310-R314 HydrophobicContact CE1-CG 3.7Å; F310-R314 HydrophobicContact CE2-CG 4.11Å; F310-R314 HydrophobicContact CG-CG 4.48Å; F310-R314 HydrophobicContact CZ-CB 4.22Å; F310-R314 HydrophobicContact CZ-CG 3.71Å; F310-R314 WeakPolarHBondContact O-CB 3.49Å; F310-R314 PolarHBondContact O-N 3.34Å; F310-H316 WeakPolarHBondContact CD1-O 3.21Å; F310-H316 AromaticContact CE1-CE1 3.78Å; F310-P318 HydrophobicContact CB-CG 4.32Å; F310-P318 HydrophobicContact CD1-CB 3.84Å; F310-P318 HydrophobicContact CD1-CG 4.22Å; F310-P318 HydrophobicContact CD2-CB 4.21Å; F310-P318 HydrophobicContact CE1-CB 4.04Å; F310-P318 HydrophobicContact CE2-CB 4.38Å; F310-P318 HydrophobicContact CG-CB 3.93Å; F310-P318 HydrophobicContact CG-CG 4.23Å; F310-P318 HydrophobicContact CZ-CB 4.3Å; F310-V339 HydrophobicContact CD2-CG1 4.39Å; F310-V339 HydrophobicContact CE2-CG1 4.07Å; F310-L341 HydrophobicContact CD2-CD2 3.97Å; F310-L341 HydrophobicContact CE2-CD2 3.89Å; F310-F345 HydrophobicContact CD2-CE2 4.42Å; F310-F345 HydrophobicContact CE2-CE2 4.44Å; F310-L353 HydrophobicContact CD2-CD1 4.31Å
311K96.1Very high94.5Very high32 Ų3221.9 Ų21.914%0.13911%0.105CC..Hα-helixtrans-63.9-37.8177.4178.3171.1177.3176.20113L211 P248 Y284 C307 M308 L309 L313 R314 G315 H316L211-K311 HydrophobicContact CD2-CD 4.49Å; L211-K311 HydrophobicContact CD2-CG 3.97Å; P248-K311 HydrophobicContact CG-CD 4.01Å; P248-K311 HydrophobicContact CG-CG 4.45Å; Y284-K311 HydrophobicContact CE1-CD 4.39Å; Y284-K311 WeakPolarHBondContact OH-CD 3.5Å; Y284-K311 PolarHBondContact OH-NZ 2.9Å; C307-K311 PolarHBondContact O-N 3.15Å; C307-K311 VanDerWaalsContact O-N 3.09Å; M308-K311 WeakPolarHBondContact O-CA 3.4Å; M308-K311 WeakPolarHBondContact O-CB 3.28Å; M308-K311 PolarHBondContact O-N 3.05Å; M308-K311 VanDerWaalsContact O-N 3.1Å; L309-K311 VanDerWaalsContact C-N 3.27Å; L309-K311 PolarHBondContact O-N 2.89Å; K311-L313 PolarHBondContact O-N 2.64Å; K311-R314 PolarHBondContact O-N 3.14Å; K311-G315 WeakPolarHBondContact O-CA 3.31Å; K311-G315 PolarHBondContact O-N 3.32Å; K311-H316 VanDerWaalsContact CA-O 3.29Å; K311-H316 WeakPolarHBondContact CA-O 3.32Å
312L97.4Very high93.3Very high0 Ų030.8 Ų30.80%015%0.147CC..Hα-helixtrans-62.9-34.1176.1-65.9177.2000111.7L207 L211 V216 F217 M222 P248 M308 L309 F310L207-L312 HydrophobicContact CD2-CD1 3.87Å; L207-L312 HydrophobicContact CD2-CD2 3.64Å; L207-L312 HydrophobicContact CD2-CG 4.4Å; L207-L312 HydrophobicContact CG-CD2 3.97Å; L211-L312 HydrophobicContact CD1-CD2 4.48Å; L211-L312 HydrophobicContact CD2-CD2 4.48Å; V216-L312 WeakPolarHBondContact CA-O 3.49Å; F217-L312 HydrophobicContact CD2-CB 4.02Å; F217-L312 HydrophobicContact CD2-CD2 3.85Å; F217-L312 HydrophobicContact CD2-CG 4.44Å; F217-L312 HydrophobicContact CE2-CD2 3.88Å; F217-L312 PolarHBondContact N-O 2.78Å; M222-L312 HydrophobicContact CG-CB 4.25Å; M222-L312 HydrophobicContact CG-CD1 4.26Å; P248-L312 HydrophobicContact CG-CD2 4.29Å; M308-L312 WeakPolarHBondContact O-CG 3.25Å; M308-L312 PolarHBondContact O-N 3.26Å; L309-L312 HydrophobicContact CD2-CD1 4.42Å; L309-L312 PolarHBondContact O-N 2.67Å; L309-L312 VanDerWaalsContact O-N 3.15Å; F310-L312 PolarHBondContact O-N 2.84Å
313L97.3Very high92.2Very high14 Ų1439.9 Ų39.97%0.07319%0.186CC..Hα-helixtrans-82.9-29.4179.9-64.5165.5000114.1V216 F217 E219 M222 L309 F310 K311 F345 L349 L353V216-L313 WeakPolarHBondContact CB-O 3.37Å; F217-L313 WeakPolarHBondContact O-CD2 3.37Å; E219-L313 HydrophobicContact CG-CD2 4.14Å; M222-L313 HydrophobicContact CB-CD2 4.13Å; M222-L313 HydrophobicContact CE-CD1 3.86Å; M222-L313 HydrophobicContact CE-CD2 4.32Å; M222-L313 HydrophobicContact CE-CG 4.32Å; M222-L313 HydrophobicContact CG-CD2 4.42Å; M222-L313 HydrophobicContact CG-CG 4.32Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.93Å; F310-L313 PolarHBondContact O-N 3.01Å; K311-L313 PolarHBondContact O-N 2.64Å; L313-F345 HydrophobicContact CB-CE1 4.22Å; L313-F345 HydrophobicContact CB-CZ 3.93Å; L313-F345 HydrophobicContact CD1-CE1 4.32Å; L313-F345 HydrophobicContact CD1-CE2 4.35Å; L313-F345 HydrophobicContact CD1-CZ 3.93Å; L313-L349 HydrophobicContact CD1-CD1 4.01Å; L313-L349 HydrophobicContact CD1-CD2 3.6Å; L313-L349 HydrophobicContact CD1-CG 4.37Å; L313-L353 HydrophobicContact CD1-CD1 4.48Å
314R94.9Very high91.3Very high106 Ų10641.1 Ų41.140%0.419%0.193SC..Hα-helixtrans-119.6-10.8-170.9-59-58.2-62.6-171.2-2.9114.9F310 K311 H316 F345F310-R314 HydrophobicContact CD1-CB 4.12Å; F310-R314 HydrophobicContact CD1-CG 4.11Å; F310-R314 HydrophobicContact CD2-CG 4.48Å; F310-R314 HydrophobicContact CE1-CB 3.73Å; F310-R314 HydrophobicContact CE1-CG 3.7Å; F310-R314 HydrophobicContact CE2-CG 4.11Å; F310-R314 HydrophobicContact CG-CG 4.48Å; F310-R314 HydrophobicContact CZ-CB 4.22Å; F310-R314 HydrophobicContact CZ-CG 3.71Å; F310-R314 WeakPolarHBondContact O-CB 3.49Å; F310-R314 PolarHBondContact O-N 3.34Å; K311-R314 PolarHBondContact O-N 3.14Å; R314-H316 PolarHBondContact O-CD2 2.77Å; R314-H316 PolarHBondContact O-N 2.85Å; R314-F345 HydrophobicContact CG-CZ 3.89Å
315G92.6Very high90.6Very high38 Ų3850.2 Ų50.239%0.39223%0.233SC..SBendtrans81.1-8.3-178.800000114.9K311K311-G315 WeakPolarHBondContact O-CA 3.31Å; K311-G315 PolarHBondContact O-N 3.32Å
316H91.1Very high90.3Very high79 Ų7954 Ų5437%0.36625%0.253SS..SBendtrans-138.4160.5179.164.883000112F310 K311 R314F310-H316 WeakPolarHBondContact CD1-O 3.21Å; F310-H316 AromaticContact CE1-CE1 3.78Å; K311-H316 VanDerWaalsContact CA-O 3.29Å; K311-H316 WeakPolarHBondContact CA-O 3.32Å; R314-H316 PolarHBondContact O-CD2 2.77Å; R314-H316 PolarHBondContact O-N 2.85Å
317S91.1Very high89.9Confident5 Ų559.9 Ų59.94%0.03528%0.279CS..  trans-66.2147.5174.5159.30000110.7G283 F319 R320G283-S317 PolarHBondContact O-OG 3.19Å; S317-F319 PolarHBondContact O-N 2.89Å; S317-F319 PolarHBondContact OG-N 3.19Å; S317-R320 PolarHBondContact O-N 2.88Å; S317-R320 VanDerWaalsContact O-N 3.15Å
318P92.9Very high89.6Confident10 Ų1066.4 Ų66.47%0.06531%0.309CS..THydrogen-bonded Turntrans-61.2-26.1178.223-32.2000113.2C307 F310 V339 L357C307-P318 HydrophobicContact CB-CG 4.28Å; F310-P318 HydrophobicContact CB-CG 4.32Å; F310-P318 HydrophobicContact CD1-CB 3.84Å; F310-P318 HydrophobicContact CD1-CG 4.22Å; F310-P318 HydrophobicContact CD2-CB 4.21Å; F310-P318 HydrophobicContact CE1-CB 4.04Å; F310-P318 HydrophobicContact CE2-CB 4.38Å; F310-P318 HydrophobicContact CG-CB 3.93Å; F310-P318 HydrophobicContact CG-CG 4.23Å; F310-P318 HydrophobicContact CZ-CB 4.3Å; P318-V339 HydrophobicContact CB-CB 4.47Å; P318-V339 HydrophobicContact CB-CG1 3.63Å; P318-V339 HydrophobicContact CB-CG2 3.92Å; P318-L357 HydrophobicContact CG-CD1 4.47Å
319F90.7Very high89.2Confident7 Ų769.9 Ų69.93%0.03133%0.325CS..THydrogen-bonded Turntrans-102.417.6-179.4-51.4-69.8000113.1F303 S317 I330 M333 T334 V339 L357F303-F319 HydrophobicContact CE1-CD2 4.5Å; F303-F319 AromaticContact CE1-CE2 3.71Å; F303-F319 HydrophobicContact CE1-CE2 3.71Å; F303-F319 HydrophobicContact CE1-CZ 4.37Å; F303-F319 HydrophobicContact CE2-CE2 4.42Å; F303-F319 HydrophobicContact CE2-CZ 4.33Å; F303-F319 HydrophobicContact CZ-CD2 4.42Å; F303-F319 AromaticContact CZ-CE2 3.35Å; F303-F319 HydrophobicContact CZ-CE2 3.35Å; F303-F319 AromaticContact CZ-CZ 3.56Å; F303-F319 HydrophobicContact CZ-CZ 3.56Å; S317-F319 PolarHBondContact O-N 2.89Å; S317-F319 PolarHBondContact OG-N 3.19Å; F319-I330 HydrophobicContact CB-CG2 4.39Å; F319-M333 HydrophobicContact CB-CB 4.13Å; F319-M333 HydrophobicContact CD1-CB 4.27Å; F319-T334 WeakPolarHBondContact CD2-OG1 3.47Å; F319-T334 HydrophobicContact CE2-CG2 4.5Å; F319-T334 WeakPolarHBondContact CG-OG1 3.48Å; F319-V339 HydrophobicContact CD1-CG2 4.28Å; F319-V339 HydrophobicContact CE1-CG2 3.39Å; F319-V339 HydrophobicContact CE2-CG2 4.4Å; F319-V339 HydrophobicContact CZ-CG2 3.45Å; F319-V339 VanDerWaalsContact CZ-CG2 3.45Å; F319-L357 HydrophobicContact CE2-CD2 4.32Å
320R82.8Confident88.9Confident89 Ų8970 Ų7034%0.33633%0.326SS..  trans-123.369.3177-166.1-176.9-68.9-170.2-1.8110.6H282 S317 T324 I330H282-R320 PolarHBondContact O-NH2 2.98Å; S317-R320 PolarHBondContact O-N 2.88Å; S317-R320 VanDerWaalsContact O-N 3.15Å; R320-T324 HydrophobicContact CG-CG2 4.22Å; R320-T324 WeakPolarHBondContact CG-O 3.49Å; R320-I330 HydrophobicContact CG-CD1 4.2Å; R320-I330 HydrophobicContact CG-CG1 4.45Å
321Q73.4Confident88.7Confident68 Ų6870.8 Ų70.832%0.31833%0.33SS..G310 helixtrans-68.6148.4175-63-177.5-9.900110.7K323 T324 M333Q321-K323 PolarHBondContact O-N 3.44Å; Q321-T324 PolarHBondContact O-N 2.95Å; Q321-T324 VanDerWaalsContact O-N 3.12Å; Q321-M333 HydrophobicContact CB-CE 4.34Å; Q321-M333 HydrophobicContact CG-SD 4.42Å
322H73.9Confident88.6Confident187 Ų18776.7 Ų76.787%0.86635%0.352SS*.G310 helixtrans50.328176.3-57.5-66.9000116.9T324H322-T324 PolarHBondContact O-N 3.27Å
323K74Confident88.4Confident190 Ų19077.6 Ų77.683%0.82636%0.356SS*.G310 helixtrans57.427.6-178.2-55.4-179.3178.4179.40113.6Q321 K325Q321-K323 PolarHBondContact O-N 3.44Å; K323-K325 PolarHBondContact O-N 2.87Å
324T81.1Confident88.2Confident26 Ų2677 Ų7716%0.1635%0.353CS..  trans-54138.8174-174.90000110.9R320 Q321 H322 D326 E329 I330R320-T324 HydrophobicContact CG-CG2 4.22Å; R320-T324 WeakPolarHBondContact CG-O 3.49Å; Q321-T324 PolarHBondContact O-N 2.95Å; Q321-T324 VanDerWaalsContact O-N 3.12Å; H322-T324 PolarHBondContact O-N 3.27Å; T324-D326 PolarHBondContact OG1-N 3.24Å; T324-E329 VanDerWaalsContact CB-OE2 3.31Å; T324-E329 WeakPolarHBondContact CB-OE2 3.42Å; T324-E329 PolarHBondContact OG1-OE2 3.06Å; T324-I330 HydrophobicContact CG2-CD1 4.48Å; T324-I330 HydrophobicContact CG2-CG1 3.96Å
325K84.4Confident88.1Confident193 Ų19374.7 Ų74.784%0.83935%0.349SS*.  trans-104.5-3.4174.7-66.5-175.7-179.8179.40111.8K323 K327K323-K325 PolarHBondContact O-N 2.87Å; K325-K327 PolarHBondContact O-N 3.47Å
326D90.7Very high88.1Confident81 Ų8177 Ų7743%0.43336%0.355SS..  trans-73.3112.2178.3-174.1-6.3000109.8T324 H328 E329 I330T324-D326 PolarHBondContact OG1-N 3.24Å; D326-H328 VanDerWaalsContact C-N 3.29Å; D326-H328 PolarHBondContact O-N 2.7Å; D326-H328 WeakPolarHBondContact OD1-CB 3.49Å; D326-H328 IonicContact OD1-CD2 3.92Å; D326-H328 PolarHBondContact OD1-N 3.4Å; D326-E329 HydrophobicContact CB-CB 3.93Å; D326-E329 PolarHBondContact O-N 3.49Å; D326-I330 WeakPolarHBondContact O-CG1 3.5Å; D326-I330 PolarHBondContact O-N 2.98Å; D326-I330 VanDerWaalsContact O-N 3.14Å
327K90.8Very high87.9Confident123 Ų12376.8 Ų76.854%0.53536%0.355SS..Hα-helixtrans-62-38179.7-65.8173.4172.1-170.60111.6K325 E329 I330 D331K325-K327 PolarHBondContact O-N 3.47Å; K327-E329 VanDerWaalsContact C-N 3.34Å; K327-I330 PolarHBondContact O-N 2.81Å; K327-D331 WeakPolarHBondContact O-CB 3.19Å; K327-D331 PolarHBondContact O-N 3.48Å
328H91.3Very high87.5Confident137 Ų13782.2 Ų82.263%0.63438%0.384SS*.Hα-helixtrans-70.1-34.1-178.6-67.1-59000112.2D326 R332D326-H328 VanDerWaalsContact C-N 3.29Å; D326-H328 PolarHBondContact O-N 2.7Å; D326-H328 WeakPolarHBondContact OD1-CB 3.49Å; D326-H328 IonicContact OD1-CD2 3.92Å; D326-H328 PolarHBondContact OD1-N 3.4Å; H328-R332 VanDerWaalsContact O-CB 3.28Å; H328-R332 WeakPolarHBondContact O-CB 3.47Å; H328-R332 PolarHBondContact O-N 3.35Å
329E91.2Very high87.3Confident73 Ų7383.4 Ų83.434%0.34139%0.391SS..Hα-helixtrans-65.7-48.9173.2-169.9-175.1-17500110.7T324 D326 K327 D331 R332 M333T324-E329 VanDerWaalsContact CB-OE2 3.31Å; T324-E329 WeakPolarHBondContact CB-OE2 3.42Å; T324-E329 PolarHBondContact OG1-OE2 3.06Å; D326-E329 HydrophobicContact CB-CB 3.93Å; D326-E329 PolarHBondContact O-N 3.49Å; K327-E329 VanDerWaalsContact C-N 3.34Å; E329-D331 VanDerWaalsContact C-N 3.35Å; E329-D331 PolarHBondContact O-N 2.86Å; E329-R332 WeakPolarHBondContact O-CB 3.45Å; E329-R332 PolarHBondContact O-N 3.35Å; E329-M333 HydrophobicContact CG-CE 3.95Å; E329-M333 WeakPolarHBondContact O-CG 3.34Å; E329-M333 PolarHBondContact O-N 2.87Å; E329-M333 WeakPolarHBondContact OE1-CE 3.34Å
330I92.1Very high87.1Confident2 Ų290.8 Ų90.81%0.0143%0.425CS..Hα-helixtrans-57-48.6177.3-65.7164.6000110.8H282 F319 R320 T324 D326 K327 R332 M333 T334H282-I330 HydrophobicContact CB-CG2 4.49Å; F319-I330 HydrophobicContact CB-CG2 4.39Å; R320-I330 HydrophobicContact CG-CD1 4.2Å; R320-I330 HydrophobicContact CG-CG1 4.45Å; T324-I330 HydrophobicContact CG2-CD1 4.48Å; T324-I330 HydrophobicContact CG2-CG1 3.96Å; D326-I330 WeakPolarHBondContact O-CG1 3.5Å; D326-I330 PolarHBondContact O-N 2.98Å; D326-I330 VanDerWaalsContact O-N 3.14Å; K327-I330 PolarHBondContact O-N 2.81Å; I330-R332 VanDerWaalsContact C-N 3.31Å; I330-R332 PolarHBondContact O-N 2.94Å; I330-M333 WeakPolarHBondContact O-CB 3.34Å; I330-M333 PolarHBondContact O-N 2.81Å; I330-T334 PolarHBondContact O-N 2.98Å; I330-T334 VanDerWaalsContact O-N 3.07Å; I330-T334 PolarHBondContact O-OG1 2.84Å
331D93.6Very high87.7Confident26 Ų2687.8 Ų87.814%0.13942%0.416CS..Hα-helixtrans-64-37.9-179.6-65.1-14000111.4H282 L290 K327 E329 T334 L335H282-D331 IonicContact CE1-OD1 3.75Å; H282-D331 IonicContact CE1-OD2 3.29Å; H282-D331 PolarHBondContact CE1-OD2 3.36Å; H282-D331 VanDerWaalsContact CE1-OD2 3.29Å; H282-D331 IonicContact CG-OD1 2.7Å; H282-D331 IonicContact ND1-OD1 2.81Å; H282-D331 PolarHBondContact ND1-OD1 2.83Å; H282-D331 IonicContact ND1-OD2 3.14Å; H282-D331 PolarHBondContact ND1-OD2 3.05Å; H282-D331 VanDerWaalsContact ND1-OD2 3.14Å; L290-D331 HydrophobicContact CD1-CB 4.07Å; L290-D331 HydrophobicContact CD2-CB 4.19Å; K327-D331 WeakPolarHBondContact O-CB 3.19Å; K327-D331 PolarHBondContact O-N 3.48Å; E329-D331 VanDerWaalsContact C-N 3.35Å; E329-D331 PolarHBondContact O-N 2.86Å; D331-T334 PolarHBondContact O-N 3.43Å; D331-L335 WeakPolarHBondContact O-CG 3.42Å; D331-L335 PolarHBondContact O-N 3.32Å
332R93.3Very high88.6Confident157 Ų15786 Ų8659%0.59241%0.41SS*.Hα-helixtrans-63.4-45.7174.5-171.7-165-44.9-82.2-4.4111.1H328 E329 I330 T334 L335 T336H328-R332 VanDerWaalsContact O-CB 3.28Å; H328-R332 WeakPolarHBondContact O-CB 3.47Å; H328-R332 PolarHBondContact O-N 3.35Å; E329-R332 WeakPolarHBondContact O-CB 3.45Å; E329-R332 PolarHBondContact O-N 3.35Å; I330-R332 VanDerWaalsContact C-N 3.31Å; I330-R332 PolarHBondContact O-N 2.94Å; R332-T334 VanDerWaalsContact C-N 3.31Å; R332-T334 PolarHBondContact O-N 3.22Å; R332-L335 PolarHBondContact O-N 2.6Å; R332-T336 HydrophobicContact CG-CG2 4.38Å; R332-T336 PolarHBondContact O-N 3.05Å; R332-T336 PolarHBondContact O-OG1 3.22Å
333M92.3Very high89.5Confident18 Ų1884.2 Ų84.29%0.08941%0.407CS..Hα-helixtrans-57-45.5177.6-69.9-175.8173.900111F319 Q321 E329 I330 L335 T336 M337F319-M333 HydrophobicContact CB-CB 4.13Å; F319-M333 HydrophobicContact CD1-CB 4.27Å; Q321-M333 HydrophobicContact CB-CE 4.34Å; Q321-M333 HydrophobicContact CG-SD 4.42Å; E329-M333 HydrophobicContact CG-CE 3.95Å; E329-M333 WeakPolarHBondContact O-CG 3.34Å; E329-M333 PolarHBondContact O-N 2.87Å; E329-M333 WeakPolarHBondContact OE1-CE 3.34Å; I330-M333 WeakPolarHBondContact O-CB 3.34Å; I330-M333 PolarHBondContact O-N 2.81Å; M333-L335 VanDerWaalsContact C-N 3.26Å; M333-L335 PolarHBondContact O-N 2.89Å; M333-T336 PolarHBondContact O-N 3.41Å; M333-M337 HydrophobicContact CB-SD 4.26Å; M333-M337 HydrophobicContact CE-SD 4.44Å; M333-M337 HydrophobicContact CG-SD 3.72Å; M333-M337 WeakPolarHBondContact O-CB 3.21Å; M333-M337 PolarHBondContact O-N 3.34Å; M333-M337 HydrophobicContact SD-SD 4.46Å
334T93.8Very high90.5Very high1 Ų179.5 Ų79.51%0.00640%0.398CS..Hα-helixtrans-56.6-37.9175.2-60.70000113M285 P287 L290 F303 F319 I330 D331 R332M285-T334 WeakPolarHBondContact O-CG2 3.38Å; P287-T334 HydrophobicContact CG-CG2 4.08Å; L290-T334 HydrophobicContact CD1-CG2 3.72Å; F303-T334 HydrophobicContact CE1-CG2 3.97Å; F303-T334 HydrophobicContact CZ-CG2 3.79Å; F319-T334 WeakPolarHBondContact CD2-OG1 3.47Å; F319-T334 HydrophobicContact CE2-CG2 4.5Å; F319-T334 WeakPolarHBondContact CG-OG1 3.48Å; I330-T334 PolarHBondContact O-N 2.98Å; I330-T334 VanDerWaalsContact O-N 3.07Å; I330-T334 PolarHBondContact O-OG1 2.84Å; D331-T334 PolarHBondContact O-N 3.43Å; R332-T334 VanDerWaalsContact C-N 3.31Å; R332-T334 PolarHBondContact O-N 3.22Å
335L93.3Very high91.2Very high59 Ų5979.1 Ų79.131%0.30939%0.394SS..Hα-helixtrans-80.7-35.1-177.7-67.1169.5000112.9P287 L290 Q291 D331 R332 M333 R359P287-L335 HydrophobicContact CB-CD2 3.98Å; L290-L335 HydrophobicContact CB-CD2 4.37Å; L290-L335 HydrophobicContact CD1-CG 4.41Å; Q291-L335 HydrophobicContact CG-CD2 4.1Å; D331-L335 WeakPolarHBondContact O-CG 3.42Å; D331-L335 PolarHBondContact O-N 3.32Å; R332-L335 PolarHBondContact O-N 2.6Å; M333-L335 VanDerWaalsContact C-N 3.26Å; M333-L335 PolarHBondContact O-N 2.89Å; L335-R359 WeakPolarHBondContact O-CD 3.29Å; L335-R359 PolarHBondContact O-NH1 3Å
336T91.4Very high91.9Very high86 Ų8672.2 Ų72.253%0.52837%0.368SS..Hα-helixtrans-114.2-29.8-166.165.50000115R332 M333R332-T336 HydrophobicContact CG-CG2 4.38Å; R332-T336 PolarHBondContact O-N 3.05Å; R332-T336 PolarHBondContact O-OG1 3.22Å; M333-T336 PolarHBondContact O-N 3.41Å
337M87.6Confident92.3Very high75 Ų7573 Ų7337%0.36938%0.378SS..PPolyproline II helixtrans-97.7139.5-172.1-64.7-174.768.400111.9M333M333-M337 HydrophobicContact CB-SD 4.26Å; M333-M337 HydrophobicContact CE-SD 4.44Å; M333-M337 HydrophobicContact CG-SD 3.72Å; M333-M337 WeakPolarHBondContact O-CB 3.21Å; M333-M337 PolarHBondContact O-N 3.34Å; M333-M337 HydrophobicContact SD-SD 4.46Å
338N83.5Confident92.6Very high119 Ų11971.1 Ų71.164%0.63637%0.371SS*.PPolyproline II helixtrans-78.5144.9165.5-67.3-26.5000108.9E340 R359N338-E340 PolarHBondContact O-N 2.6Å; N338-R359 PolarHBondContact OD1-NH2 2.76Å
339V87.8Confident92.9Very high34 Ų3464.6 Ų64.621%0.20634%0.341CS..PPolyproline II helixtrans-78.4122.2178.2-1780000108.9F310 P318 F319 L341 L357F310-V339 HydrophobicContact CD2-CG1 4.39Å; F310-V339 HydrophobicContact CE2-CG1 4.07Å; P318-V339 HydrophobicContact CB-CB 4.47Å; P318-V339 HydrophobicContact CB-CG1 3.63Å; P318-V339 HydrophobicContact CB-CG2 3.92Å; F319-V339 HydrophobicContact CD1-CG2 4.28Å; F319-V339 HydrophobicContact CE1-CG2 3.39Å; F319-V339 HydrophobicContact CE2-CG2 4.4Å; F319-V339 HydrophobicContact CZ-CG2 3.45Å; F319-V339 VanDerWaalsContact CZ-CG2 3.45Å; V339-L341 HydrophobicContact CG1-CD2 3.82Å; V339-L341 PolarHBondContact O-N 3.02Å; V339-L357 HydrophobicContact CB-CD1 4.48Å; V339-L357 HydrophobicContact CG1-CD1 4.45Å; V339-L357 HydrophobicContact CG2-CD1 4.15Å
340E87.9Confident93.3Very high163 Ų16363.4 Ų63.476%0.76233%0.334SS*.  trans-80.2114.7172.6-68.2179.9-179.300109.5N338N338-E340 PolarHBondContact O-N 2.6Å
341L93.4Very high93.6Very high26 Ų2667.5 Ų67.514%0.13636%0.356CS..  trans-93.8128.6179.7-61.2-176.3000110.7F310 V339 F345 K350 L353 E354F310-L341 HydrophobicContact CD2-CD2 3.97Å; F310-L341 HydrophobicContact CE2-CD2 3.89Å; V339-L341 HydrophobicContact CG1-CD2 3.82Å; V339-L341 PolarHBondContact O-N 3.02Å; L341-F345 HydrophobicContact CB-CD2 4.35Å; L341-F345 HydrophobicContact CD2-CE2 4.39Å; L341-K350 HydrophobicContact CB-CG 4.25Å; L341-K350 HydrophobicContact CD1-CB 4.07Å; L341-K350 HydrophobicContact CD1-CG 4.15Å; L341-L353 HydrophobicContact CD1-CB 3.96Å; L341-L353 HydrophobicContact CD2-CB 4.3Å; L341-L353 HydrophobicContact CD2-CD1 3.99Å; L341-E354 HydrophobicContact CD1-CG 3.8Å
342P92.6Very high93.8Very high29 Ų2966.3 Ų66.319%0.18835%0.35CS..  trans-57.6146.2179.7-25.433.1000113.9S344 F345 K350P342-S344 PolarHBondContact O-N 3.08Å; P342-S344 VanDerWaalsContact O-N 3.16Å; P342-F345 HydrophobicContact CG-CE1 4.45Å; P342-F345 HydrophobicContact CG-CE2 4.29Å; P342-F345 HydrophobicContact CG-CZ 4.22Å; P342-F345 PolarHBondContact O-N 3.13Å; P342-F345 VanDerWaalsContact O-N 3.12Å; P342-K350 WeakPolarHBondContact O-CE 3.31Å
343D92.9Very high94.1Very high151 Ų15158.8 Ų58.881%0.80732%0.321SS*.THydrogen-bonded Turntrans-64.7-16.9174.4-68.9-31.4000114.5F345 K350D343-F345 PolarHBondContact O-N 3.12Å; D343-K350 IonicContact OD1-NZ 3.69Å; D343-K350 PolarHBondContact OD1-NZ 3.45Å
344S94.9Very high94.3Very high90 Ų9062.9 Ų62.963%0.62934%0.34SS*.THydrogen-bonded Turntrans-70.6-15.8174.160.20000114P342P342-S344 PolarHBondContact O-N 3.08Å; P342-S344 VanDerWaalsContact O-N 3.16Å
345F97.5Very high94.5Very high18 Ų1863.7 Ų63.78%0.07935%0.349CS..SBendtrans-79.3141.5179.2-70.7-7.4000111.4F310 L313 R314 L341 P342 D343 L349 K350 L353F310-F345 HydrophobicContact CD2-CE2 4.42Å; F310-F345 HydrophobicContact CE2-CE2 4.44Å; L313-F345 HydrophobicContact CB-CE1 4.22Å; L313-F345 HydrophobicContact CB-CZ 3.93Å; L313-F345 HydrophobicContact CD1-CE1 4.32Å; L313-F345 HydrophobicContact CD1-CE2 4.35Å; L313-F345 HydrophobicContact CD1-CZ 3.93Å; R314-F345 HydrophobicContact CG-CZ 3.89Å; L341-F345 HydrophobicContact CB-CD2 4.35Å; L341-F345 HydrophobicContact CD2-CE2 4.39Å; P342-F345 HydrophobicContact CG-CE1 4.45Å; P342-F345 HydrophobicContact CG-CE2 4.29Å; P342-F345 HydrophobicContact CG-CZ 4.22Å; P342-F345 PolarHBondContact O-N 3.13Å; P342-F345 VanDerWaalsContact O-N 3.12Å; D343-F345 PolarHBondContact O-N 3.12Å; F345-L349 HydrophobicContact CB-CD2 3.87Å; F345-L349 HydrophobicContact CB-CG 4.35Å; F345-L349 HydrophobicContact CD1-CD2 3.81Å; F345-L349 HydrophobicContact CD2-CD2 3.85Å; F345-L349 HydrophobicContact CD2-CG 4.29Å; F345-L349 HydrophobicContact CE1-CD2 4.26Å; F345-L349 HydrophobicContact CE2-CD2 4.28Å; F345-L349 HydrophobicContact CG-CD2 3.59Å; F345-L349 HydrophobicContact CG-CG 4.34Å; F345-L349 HydrophobicContact CZ-CD2 4.46Å; F345-K350 HydrophobicContact CB-CG 3.83Å; F345-L353 HydrophobicContact CD2-CD1 4.18Å; F345-L353 HydrophobicContact CE2-CD1 3.88Å
346T98Very high94.8Very high49 Ų4960.9 Ų60.930%0.30133%0.334SS..  trans-64.7155.4175.881.60000111.4E219 E348 L349 K350E219-T346 PolarHBondContact OE1-N 3.15Å; E219-T346 VanDerWaalsContact OE1-N 3.13Å; E219-T346 WeakPolarHBondContact OE2-CG2 3.42Å; E219-T346 PolarHBondContact OE2-OG1 3.4Å; T346-E348 VanDerWaalsContact CB-OE2 3.26Å; T346-E348 WeakPolarHBondContact CB-OE2 3.3Å; T346-E348 PolarHBondContact O-N 2.98Å; T346-E348 PolarHBondContact OG1-OE2 2.73Å; T346-L349 PolarHBondContact O-N 3.21Å; T346-L349 VanDerWaalsContact O-N 3.14Å; T346-L349 PolarHBondContact OG1-N 3.01Å; T346-K350 PolarHBondContact O-N 3Å
347P98.2Very high95.1Very high97 Ų9757.6 Ų57.663%0.6331%0.313SS*.Hα-helixtrans-54.2-39.5176.4-26.636000113K350 D351P347-K350 PolarHBondContact O-N 2.71Å; P347-D351 WeakPolarHBondContact O-CB 3.36Å; P347-D351 PolarHBondContact O-N 3.03Å
348E98.1Very high95.6Very high84 Ų8457.5 Ų57.539%0.39331%0.312SS..Hα-helixtrans-69.1-35.1-179.5-53.874.3-161.600112.1T346 L352 H378 Q379 F380T346-E348 VanDerWaalsContact CB-OE2 3.26Å; T346-E348 WeakPolarHBondContact CB-OE2 3.3Å; T346-E348 PolarHBondContact O-N 2.98Å; T346-E348 PolarHBondContact OG1-OE2 2.73Å; E348-L352 WeakPolarHBondContact O-CB 3.26Å; E348-L352 PolarHBondContact O-N 2.83Å; E348-L352 VanDerWaalsContact O-N 3.07Å; E348-H378 PolarHBondContact O-CE1 2.83Å; E348-Q379 HydrophobicContact CG-CB 4.35Å; E348-F380 HydrophobicContact CB-CB 4.29Å; E348-F380 HydrophobicContact CB-CD2 4.35Å
349L98.4Very high96.2Very high0 Ų056.5 Ų56.50%030%0.299CS..Hα-helixtrans-70.3-41.5174.1174.861.9000111.2E219 M222 L313 F345 T346 L352 L353 F380E219-L349 HydrophobicContact CG-CD2 3.74Å; E219-L349 VanDerWaalsContact OE1-CD2 3.26Å; E219-L349 WeakPolarHBondContact OE1-CD2 3.27Å; M222-L349 HydrophobicContact CE-CD1 3.57Å; L313-L349 HydrophobicContact CD1-CD1 4.01Å; L313-L349 HydrophobicContact CD1-CD2 3.6Å; L313-L349 HydrophobicContact CD1-CG 4.37Å; F345-L349 HydrophobicContact CB-CD2 3.87Å; F345-L349 HydrophobicContact CB-CG 4.35Å; F345-L349 HydrophobicContact CD1-CD2 3.81Å; F345-L349 HydrophobicContact CD2-CD2 3.85Å; F345-L349 HydrophobicContact CD2-CG 4.29Å; F345-L349 HydrophobicContact CE1-CD2 4.26Å; F345-L349 HydrophobicContact CE2-CD2 4.28Å; F345-L349 HydrophobicContact CG-CD2 3.59Å; F345-L349 HydrophobicContact CG-CG 4.34Å; F345-L349 HydrophobicContact CZ-CD2 4.46Å; T346-L349 PolarHBondContact O-N 3.21Å; T346-L349 VanDerWaalsContact O-N 3.14Å; T346-L349 PolarHBondContact OG1-N 3.01Å; L349-L352 PolarHBondContact O-N 2.76Å; L349-L353 HydrophobicContact CD1-CD1 3.94Å; L349-L353 HydrophobicContact CD1-CG 3.95Å; L349-L353 HydrophobicContact CG-CD1 4.1Å; L349-L353 HydrophobicContact CG-CG 4.46Å; L349-L353 WeakPolarHBondContact O-CG 3.47Å; L349-L353 PolarHBondContact O-N 2.88Å; L349-F380 HydrophobicContact CB-CD2 4.02Å; L349-F380 HydrophobicContact CB-CE2 3.9Å; L349-F380 HydrophobicContact CD1-CD2 4.42Å; L349-F380 HydrophobicContact CD1-CE2 3.98Å; L349-F380 HydrophobicContact CD1-CZ 4.27Å; L349-F380 HydrophobicContact CG-CE2 4.46Å
350K98.3Very high96.6Very high47 Ų4758.3 Ų58.320%0.20431%0.307CS..Hα-helixtrans-59-50.2176.4-72.6-178.1173.1-170.30110.6L341 P342 D343 F345 T346 P347 L352 L353 E354L341-K350 HydrophobicContact CB-CG 4.25Å; L341-K350 HydrophobicContact CD1-CB 4.07Å; L341-K350 HydrophobicContact CD1-CG 4.15Å; P342-K350 WeakPolarHBondContact O-CE 3.31Å; D343-K350 IonicContact OD1-NZ 3.69Å; D343-K350 PolarHBondContact OD1-NZ 3.45Å; F345-K350 HydrophobicContact CB-CG 3.83Å; T346-K350 PolarHBondContact O-N 3Å; P347-K350 PolarHBondContact O-N 2.71Å; K350-L352 VanDerWaalsContact C-N 3.32Å; K350-L352 PolarHBondContact O-N 2.79Å; K350-L353 PolarHBondContact O-N 2.89Å; K350-E354 WeakPolarHBondContact O-CB 3.38Å; K350-E354 VanDerWaalsContact O-CG 3.27Å; K350-E354 WeakPolarHBondContact O-CG 3.37Å; K350-E354 PolarHBondContact O-N 2.94Å
351D98.3Very high97.1Very high89 Ų8952.6 Ų52.648%0.47628%0.284SS..Hα-helixtrans-57.2-43.3176.6-169.552000111.9P347 E354 G355 H378P347-D351 WeakPolarHBondContact O-CB 3.36Å; P347-D351 PolarHBondContact O-N 3.03Å; D351-E354 PolarHBondContact O-N 3.46Å; D351-G355 PolarHBondContact O-N 3.44Å; D351-H378 IonicContact OD2-CE1 2.88Å; D351-H378 IonicContact OD2-NE2 3Å; D351-H378 PolarHBondContact OD2-NE2 3.13Å; D351-H378 VanDerWaalsContact OD2-NE2 3.09Å
352L98.7Very high97.2Very high0 Ų055.1 Ų55.10%030%0.303CS..Hα-helixtrans-60.8-50.9176.8177.964.5000112L309 E348 L349 K350 G355 L356 L365 H378 F380 F381L309-L352 HydrophobicContact CD1-CD2 4.42Å; E348-L352 WeakPolarHBondContact O-CB 3.26Å; E348-L352 PolarHBondContact O-N 2.83Å; E348-L352 VanDerWaalsContact O-N 3.07Å; L349-L352 PolarHBondContact O-N 2.76Å; K350-L352 VanDerWaalsContact C-N 3.32Å; K350-L352 PolarHBondContact O-N 2.79Å; L352-G355 PolarHBondContact O-N 2.86Å; L352-L356 HydrophobicContact CD1-CD1 3.9Å; L352-L356 HydrophobicContact CD1-CG 4.24Å; L352-L356 HydrophobicContact CG-CD1 4.01Å; L352-L356 WeakPolarHBondContact O-CG 3.33Å; L352-L356 PolarHBondContact O-N 3.32Å; L352-L365 HydrophobicContact CD1-CD2 3.68Å; L352-H378 VanDerWaalsContact CA-CE1 3.41Å; L352-H378 WeakPolarHBondContact CA-CE1 3.42Å; L352-H378 VanDerWaalsContact CB-CE1 3.49Å; L352-H378 WeakPolarHBondContact CB-CE1 3.4Å; L352-H378 HydrophobicContact CD1-CB 4.39Å; L352-H378 PolarHBondContact N-CE1 3.42Å; L352-H378 VanDerWaalsContact N-CE1 3.29Å; L352-H378 PolarHBondContact N-NE2 3.32Å; L352-F380 HydrophobicContact CB-CB 4.24Å; L352-F380 HydrophobicContact CD2-CB 4Å; L352-F380 HydrophobicContact CD2-CD1 3.5Å; L352-F380 HydrophobicContact CD2-CE1 4.09Å; L352-F380 HydrophobicContact CD2-CG 3.76Å; L352-F381 HydrophobicContact CD1-CE2 4.02Å; L352-F381 HydrophobicContact CD2-CE2 3.94Å; L352-F381 HydrophobicContact CD2-CZ 4.1Å
353L98.5Very high97.5Very high0 Ų060 Ų600%032%0.322CS..Hα-helixtrans-68.5-39.4-177.6-69.3177.2000111.3L309 F310 L313 L341 F345 L349 K350 G355 L356 L357L309-L353 HydrophobicContact CB-CD2 4.18Å; F310-L353 HydrophobicContact CD2-CD1 4.31Å; L313-L353 HydrophobicContact CD1-CD1 4.48Å; L341-L353 HydrophobicContact CD1-CB 3.96Å; L341-L353 HydrophobicContact CD2-CB 4.3Å; L341-L353 HydrophobicContact CD2-CD1 3.99Å; F345-L353 HydrophobicContact CD2-CD1 4.18Å; F345-L353 HydrophobicContact CE2-CD1 3.88Å; L349-L353 HydrophobicContact CD1-CD1 3.94Å; L349-L353 HydrophobicContact CD1-CG 3.95Å; L349-L353 HydrophobicContact CG-CD1 4.1Å; L349-L353 HydrophobicContact CG-CG 4.46Å; L349-L353 WeakPolarHBondContact O-CG 3.47Å; L349-L353 PolarHBondContact O-N 2.88Å; K350-L353 PolarHBondContact O-N 2.89Å; L353-G355 VanDerWaalsContact C-N 3.31Å; L353-G355 PolarHBondContact O-N 2.95Å; L353-L356 PolarHBondContact O-N 3.04Å; L353-L357 HydrophobicContact CB-CD1 4.41Å; L353-L357 WeakPolarHBondContact O-CB 3.15Å; L353-L357 VanDerWaalsContact O-CG 3.26Å; L353-L357 WeakPolarHBondContact O-CG 3.37Å; L353-L357 PolarHBondContact O-N 2.92Å
354E97.8Very high97.7Very high104 Ų10452.8 Ų52.849%0.48628%0.283SS..Hα-helixtrans-61.5-40173.8-75.2173.5-173.900111.6L341 K350 D351 Q358L341-E354 HydrophobicContact CD1-CG 3.8Å; K350-E354 WeakPolarHBondContact O-CB 3.38Å; K350-E354 VanDerWaalsContact O-CG 3.27Å; K350-E354 WeakPolarHBondContact O-CG 3.37Å; K350-E354 PolarHBondContact O-N 2.94Å; D351-E354 PolarHBondContact O-N 3.46Å; E354-Q358 VanDerWaalsContact O-CG 3.27Å; E354-Q358 WeakPolarHBondContact O-CG 3.24Å; E354-Q358 PolarHBondContact O-N 2.99Å; E354-Q358 PolarHBondContact O-NE2 2.82Å
355G98.1Very high97.9Very high18 Ų1849.6 Ų49.619%0.18626%0.259CS..Hα-helixtrans-66.8-46.4175.600000113.4D351 L352 L353 R364 L365D351-G355 PolarHBondContact O-N 3.44Å; L352-G355 PolarHBondContact O-N 2.86Å; L353-G355 VanDerWaalsContact C-N 3.31Å; L353-G355 PolarHBondContact O-N 2.95Å; G355-R364 WeakPolarHBondContact O-CA 3.46Å; G355-L365 PolarHBondContact O-N 2.97Å
356L98.6Very high98Very high0 Ų048.9 Ų48.90%026%0.257CS..Hα-helixtrans-70.5-35.4179.7-70.1172.4000112.6W302 F303 L305 L309 L352 L353 Q358 R364 L365 V375W302-L356 HydrophobicContact CB-CD2 4.16Å; F303-L356 WeakPolarHBondContact CA-O 3.45Å; L305-L356 HydrophobicContact CD2-CD1 4.3Å; L305-L356 HydrophobicContact CD2-CD2 4.49Å; L305-L356 HydrophobicContact CG-CD1 4.34Å; L309-L356 HydrophobicContact CD1-CD1 4.33Å; L352-L356 HydrophobicContact CD1-CD1 3.9Å; L352-L356 HydrophobicContact CD1-CG 4.24Å; L352-L356 HydrophobicContact CG-CD1 4.01Å; L352-L356 WeakPolarHBondContact O-CG 3.33Å; L352-L356 PolarHBondContact O-N 3.32Å; L353-L356 PolarHBondContact O-N 3.04Å; L356-Q358 VanDerWaalsContact C-N 3.32Å; L356-Q358 PolarHBondContact O-N 3.28Å; L356-R364 WeakPolarHBondContact O-CD 3.23Å; L356-R364 WeakPolarHBondContact O-CG 3.03Å; L356-L365 HydrophobicContact CD2-CB 4.23Å; L356-L365 HydrophobicContact CD2-CD2 4.2Å; L356-L365 HydrophobicContact CD2-CG 4.5Å; L356-L365 HydrophobicContact CG-CD2 4.25Å; L356-V375 HydrophobicContact CD2-CG2 4.36Å
357L98.1Very high98Very high17 Ų1748 Ų489%0.08925%0.253CS..THydrogen-bonded Turntrans-91.612.7-176.8-61.5170.1000113.3F303 P318 F319 V339 L353 R359F303-L357 HydrophobicContact CD2-CD2 4.24Å; F303-L357 HydrophobicContact CE1-CD2 4.43Å; F303-L357 HydrophobicContact CE2-CB 4.38Å; F303-L357 HydrophobicContact CE2-CD2 4.04Å; F303-L357 HydrophobicContact CZ-CD2 4.15Å; P318-L357 HydrophobicContact CG-CD1 4.47Å; F319-L357 HydrophobicContact CE2-CD2 4.32Å; V339-L357 HydrophobicContact CB-CD1 4.48Å; V339-L357 HydrophobicContact CG1-CD1 4.45Å; V339-L357 HydrophobicContact CG2-CD1 4.15Å; L353-L357 HydrophobicContact CB-CD1 4.41Å; L353-L357 WeakPolarHBondContact O-CB 3.15Å; L353-L357 VanDerWaalsContact O-CG 3.26Å; L353-L357 WeakPolarHBondContact O-CG 3.37Å; L353-L357 PolarHBondContact O-N 2.92Å; L357-R359 PolarHBondContact O-N 3.45Å
358Q97.6Very high97.8Very high72 Ų7249.6 Ų49.634%0.33625%0.252SS..  trans-58.1129.7170-73.4-57.7-3800110.9E354 L356 K363 R364E354-Q358 VanDerWaalsContact O-CG 3.27Å; E354-Q358 WeakPolarHBondContact O-CG 3.24Å; E354-Q358 PolarHBondContact O-N 2.99Å; E354-Q358 PolarHBondContact O-NE2 2.82Å; L356-Q358 VanDerWaalsContact C-N 3.32Å; L356-Q358 PolarHBondContact O-N 3.28Å; Q358-K363 HydrophobicContact CG-CB 4.34Å; Q358-R364 HydrophobicContact CB-CB 4.02Å; Q358-R364 HydrophobicContact CB-CG 4.34Å; Q358-R364 PolarHBondContact O-NE 2.89Å; Q358-R364 PolarHBondContact O-NH2 3.49Å; Q358-R364 VanDerWaalsContact O-NH2 3.08Å
359R96.1Very high97.7Very high98 Ų9849.2 Ų49.237%0.3727%0.27SS..SBendtrans-72-37.6178.6-69.7177.4-79.2156.4-5112.4P287 L335 N338 L357 V361 R364P287-R359 HydrophobicContact CG-CB 4.07Å; P287-R359 HydrophobicContact CG-CG 3.92Å; L335-R359 WeakPolarHBondContact O-CD 3.29Å; L335-R359 PolarHBondContact O-NH1 3Å; N338-R359 PolarHBondContact OD1-NH2 2.76Å; L357-R359 PolarHBondContact O-N 3.45Å; R359-V361 PolarHBondContact O-N 3.46Å; R359-R364 PolarHBondContact O-NH2 3.19Å
360D96.3Very high97.6Very high72 Ų7255.6 Ų55.639%0.38529%0.294SS..SBendtrans-78.5116.1175-178.4-8000110.1S362 K363 R364D360-S362 PolarHBondContact O-N 3.37Å; D360-S362 WeakPolarHBondContact OD1-CB 3.11Å; D360-S362 PolarHBondContact OD1-N 2.86Å; D360-S362 PolarHBondContact OD1-OG 3.22Å; D360-S362 PolarHBondContact OD2-OG 3.36Å; D360-K363 HydrophobicContact CB-CB 4.45Å; D360-K363 HydrophobicContact CB-CD 4.35Å; D360-K363 HydrophobicContact CB-CG 4.4Å; D360-K363 PolarHBondContact O-N 2.82Å; D360-K363 VanDerWaalsContact O-N 3.08Å; D360-K363 WeakPolarHBondContact OD2-CE 3.41Å; D360-R364 PolarHBondContact O-N 3.06Å
361V97.9Very high97.6Very high43 Ų4354.5 Ų54.526%0.26130%0.296SS..G310 helixtrans-56.6-36.4-179.7176.40000111.5E288 R359 K363 R364 C367E288-V361 HydrophobicContact CB-CG2 4.37Å; E288-V361 HydrophobicContact CG-CG2 4.04Å; R359-V361 PolarHBondContact O-N 3.46Å; V361-K363 PolarHBondContact O-N 3.16Å; V361-R364 PolarHBondContact O-N 3.24Å; V361-C367 HydrophobicContact CG1-CB 4.02Å; V361-C367 WeakPolarHBondContact O-CB 3.41Å
362S97.3Very high97.6Very high79 Ų7950.6 Ų50.655%0.55228%0.276SS*.G310 helixtrans-67.1-19-178.269.40000113.8D360D360-S362 PolarHBondContact O-N 3.37Å; D360-S362 WeakPolarHBondContact OD1-CB 3.11Å; D360-S362 PolarHBondContact OD1-N 2.86Å; D360-S362 PolarHBondContact OD1-OG 3.22Å; D360-S362 PolarHBondContact OD2-OG 3.36Å
363K97.5Very high97.5Very high132 Ų13254 Ų5457%0.57429%0.294SS*.G310 helixtrans-105.3-8.9178.4-60.8-179.3-174.1175.90112.9Q358 D360 V361Q358-K363 HydrophobicContact CG-CB 4.34Å; D360-K363 HydrophobicContact CB-CB 4.45Å; D360-K363 HydrophobicContact CB-CD 4.35Å; D360-K363 HydrophobicContact CB-CG 4.4Å; D360-K363 PolarHBondContact O-N 2.82Å; D360-K363 VanDerWaalsContact O-N 3.08Å; D360-K363 WeakPolarHBondContact OD2-CE 3.41Å; V361-K363 PolarHBondContact O-N 3.16Å
364R98.5Very high97.5Very high0 Ų054.5 Ų54.50%030%0.296CS..SBendtrans-73.3136.1-175.6-167.9-179.3-60.6153.55.6110.9E288 S299 G355 L356 Q358 R359 D360 V361 G366 C367E288-R364 IonicContact OE1-CZ 3.33Å; E288-R364 IonicContact OE1-NH1 3.64Å; E288-R364 PolarHBondContact OE1-NH1 3.29Å; E288-R364 IonicContact OE1-NH2 2.93Å; E288-R364 IonicContact OE2-CZ 2.67Å; E288-R364 IonicContact OE2-NH1 3.01Å; E288-R364 PolarHBondContact OE2-NH1 3.46Å; E288-R364 IonicContact OE2-NH2 2.84Å; E288-R364 PolarHBondContact OE2-NH2 2.87Å; S299-R364 PolarHBondContact O-NH1 3.34Å; G355-R364 WeakPolarHBondContact O-CA 3.46Å; L356-R364 WeakPolarHBondContact O-CD 3.23Å; L356-R364 WeakPolarHBondContact O-CG 3.03Å; Q358-R364 HydrophobicContact CB-CB 4.02Å; Q358-R364 HydrophobicContact CB-CG 4.34Å; Q358-R364 PolarHBondContact O-NE 2.89Å; Q358-R364 PolarHBondContact O-NH2 3.49Å; Q358-R364 VanDerWaalsContact O-NH2 3.08Å; R359-R364 PolarHBondContact O-NH2 3.19Å; D360-R364 PolarHBondContact O-N 3.06Å; V361-R364 PolarHBondContact O-N 3.24Å; R364-G366 PolarHBondContact O-N 3.07Å; R364-C367 HydrophobicContact CB-CB 4.22Å; R364-C367 WeakPolarHBondContact O-CB 3.48Å; R364-C367 PolarHBondContact O-N 3.24Å; R364-C367 VanDerWaalsContact O-N 3.12Å
365L98.6Very high97.6Very high22 Ų2249.6 Ų49.612%0.11527%0.273CS..THydrogen-bonded Turntrans-61.2129.8173.5-173.169.6000109.8L352 G355 L356 E374 V375 H378L352-L365 HydrophobicContact CD1-CD2 3.68Å; G355-L365 PolarHBondContact O-N 2.97Å; L356-L365 HydrophobicContact CD2-CB 4.23Å; L356-L365 HydrophobicContact CD2-CD2 4.2Å; L356-L365 HydrophobicContact CD2-CG 4.5Å; L356-L365 HydrophobicContact CG-CD2 4.25Å; L365-E374 HydrophobicContact CD1-CB 4.05Å; L365-V375 HydrophobicContact CD2-CG1 4.45Å; L365-V375 HydrophobicContact CD2-CG2 4.34Å; L365-V375 HydrophobicContact CG-CG2 4.09Å; L365-H378 HydrophobicContact CD2-CB 4.42Å
366G98.3Very high97.6Very high4 Ų450.1 Ų50.14%0.04127%0.271CS..THydrogen-bonded Turntrans92.60.9-174.900000114.2W302 R364 G371 E374W302-G366 PolarHBondContact NE1-O 3.4Å; R364-G366 PolarHBondContact O-N 3.07Å; G366-G371 WeakPolarHBondContact CA-O 2.99Å; G366-G371 WeakPolarHBondContact O-CA 3.47Å; G366-E374 VanDerWaalsContact CA-OE2 3.25Å; G366-E374 WeakPolarHBondContact CA-OE2 3.3Å; G366-E374 PolarHBondContact N-OE2 3.09Å
367C98.3Very high97.6Very high31 Ų3155.2 Ų55.221%0.20929%0.294CS..  trans-121.97.4-176-590000113.7S299 V361 R364 G369 E374S299-C367 VanDerWaalsContact CB-SG 3.54Å; V361-C367 HydrophobicContact CG1-CB 4.02Å; V361-C367 WeakPolarHBondContact O-CB 3.41Å; R364-C367 HydrophobicContact CB-CB 4.22Å; R364-C367 WeakPolarHBondContact O-CB 3.48Å; R364-C367 PolarHBondContact O-N 3.24Å; R364-C367 VanDerWaalsContact O-N 3.12Å; C367-G369 VanDerWaalsContact C-N 3.32Å; C367-G369 PolarHBondContact O-N 2.88Å; C367-E374 PolarHBondContact N-OE2 3.45Å; C367-E374 VanDerWaalsContact N-OE2 3.16Å
368Q95.8Very high97.6Very high130 Ų13055.3 Ų55.361%0.60729%0.294SS*.SBendtrans-93.616.7-176.4-54.7-179.3-31.200113.6E374Q368-E374 VanDerWaalsContact CA-OE1 3.25Å; Q368-E374 WeakPolarHBondContact CA-OE1 3.17Å; Q368-E374 WeakPolarHBondContact CB-OE1 3.18Å; Q368-E374 WeakPolarHBondContact CB-OE2 3.28Å; Q368-E374 PolarHBondContact N-OE1 3.32Å; Q368-E374 PolarHBondContact N-OE2 3.12Å
369G94.4Very high97.6Very high75 Ų7557.5 Ų57.577%0.77330%0.304SS*.SBendtrans104.6-9.3172.300000115.8C367 E374C367-G369 VanDerWaalsContact C-N 3.32Å; C367-G369 PolarHBondContact O-N 2.88Å; G369-E374 PolarHBondContact N-OE1 2.87Å
370R97.1Very high97.7Very high134 Ų13452.9 Ų52.951%0.50629%0.287SS..SBendtrans-111.3-0.6175.6-57.4-171.4-62.2146.13.1113.7A372 L373 E374 E377R370-A372 PolarHBondContact O-N 3.39Å; R370-L373 HydrophobicContact CB-CB 4.27Å; R370-L373 HydrophobicContact CB-CD2 4.46Å; R370-L373 WeakPolarHBondContact O-CB 3.07Å; R370-L373 PolarHBondContact O-N 3.35Å; R370-E374 WeakPolarHBondContact CA-OE1 3.31Å; R370-E374 HydrophobicContact CB-CG 3.81Å; R370-E374 PolarHBondContact N-OE1 3.45Å; R370-E377 IonicContact CZ-OE2 3.15Å; R370-E377 IonicContact NH1-OE1 2.71Å; R370-E377 PolarHBondContact NH1-OE1 2.98Å; R370-E377 VanDerWaalsContact NH1-OE1 3.15Å; R370-E377 IonicContact NH1-OE2 2.7Å; R370-E377 PolarHBondContact NH1-OE2 3.3Å; R370-E377 IonicContact NH2-OE2 2.7Å; R370-E377 PolarHBondContact NH2-OE2 2.91Å
371G97.5Very high97.8Very high24 Ų2449.6 Ų49.625%0.24727%0.27CS..THydrogen-bonded Turntrans63.2-132.6168.500000112.6G366 L373 E374G366-G371 WeakPolarHBondContact CA-O 2.99Å; G366-G371 WeakPolarHBondContact O-CA 3.47Å; G371-L373 PolarHBondContact O-N 3.37Å; G371-L373 VanDerWaalsContact O-N 3.09Å; G371-E374 PolarHBondContact N-OE1 3.17Å; G371-E374 WeakPolarHBondContact O-CB 3.41Å; G371-E374 PolarHBondContact O-N 3.03Å; G371-E374 VanDerWaalsContact O-N 3.07Å
372A98.3Very high97.8Very high7 Ų755.3 Ų55.36%0.05829%0.291CS..Hα-helixtrans-55.3-30-179.500000113.5I230 E234 W302 R370 E374 V375 K376I230-A372 HydrophobicContact CG2-CB 4.5Å; E234-A372 HydrophobicContact CB-CB 3.69Å; E234-A372 HydrophobicContact CG-CB 3.79Å; W302-A372 HydrophobicContact CH2-CB 3.71Å; W302-A372 HydrophobicContact CZ2-CB 3.84Å; R370-A372 PolarHBondContact O-N 3.39Å; A372-E374 PolarHBondContact O-N 3.27Å; A372-V375 PolarHBondContact O-N 3.28Å; A372-V375 VanDerWaalsContact O-N 3.1Å; A372-K376 VanDerWaalsContact O-CG 3.28Å; A372-K376 WeakPolarHBondContact O-CG 3.32Å; A372-K376 PolarHBondContact O-N 2.9Å
373L97.9Very high97.5Very high73 Ų7355.1 Ų55.138%0.38230%0.301SS..Hα-helixtrans-59-36.2179-175.961.5000112.3R370 G371 V375 K376 E377R370-L373 HydrophobicContact CB-CB 4.27Å; R370-L373 HydrophobicContact CB-CD2 4.46Å; R370-L373 WeakPolarHBondContact O-CB 3.07Å; R370-L373 PolarHBondContact O-N 3.35Å; G371-L373 PolarHBondContact O-N 3.37Å; G371-L373 VanDerWaalsContact O-N 3.09Å; L373-V375 VanDerWaalsContact C-N 3.32Å; L373-V375 PolarHBondContact O-N 3.09Å; L373-K376 PolarHBondContact O-N 3.18Å; L373-E377 HydrophobicContact CD1-CG 4.03Å; L373-E377 WeakPolarHBondContact CD1-OE1 3.34Å; L373-E377 HydrophobicContact CG-CG 4.32Å; L373-E377 WeakPolarHBondContact CG-OE1 3.49Å; L373-E377 WeakPolarHBondContact O-CB 3.48Å; L373-E377 WeakPolarHBondContact O-CG 3.39Å; L373-E377 PolarHBondContact O-N 3.45Å
374E98.4Very high97.4Very high10 Ų1050.5 Ų50.55%0.04728%0.282CS..Hα-helixtrans-62.4-42.4177-57.8170.1-159.500111.2L365 G366 C367 Q368 G369 R370 G371 A372 H378L365-E374 HydrophobicContact CD1-CB 4.05Å; G366-E374 VanDerWaalsContact CA-OE2 3.25Å; G366-E374 WeakPolarHBondContact CA-OE2 3.3Å; G366-E374 PolarHBondContact N-OE2 3.09Å; C367-E374 PolarHBondContact N-OE2 3.45Å; C367-E374 VanDerWaalsContact N-OE2 3.16Å; Q368-E374 VanDerWaalsContact CA-OE1 3.25Å; Q368-E374 WeakPolarHBondContact CA-OE1 3.17Å; Q368-E374 WeakPolarHBondContact CB-OE1 3.18Å; Q368-E374 WeakPolarHBondContact CB-OE2 3.28Å; Q368-E374 PolarHBondContact N-OE1 3.32Å; Q368-E374 PolarHBondContact N-OE2 3.12Å; G369-E374 PolarHBondContact N-OE1 2.87Å; R370-E374 WeakPolarHBondContact CA-OE1 3.31Å; R370-E374 HydrophobicContact CB-CG 3.81Å; R370-E374 PolarHBondContact N-OE1 3.45Å; G371-E374 PolarHBondContact N-OE1 3.17Å; G371-E374 WeakPolarHBondContact O-CB 3.41Å; G371-E374 PolarHBondContact O-N 3.03Å; G371-E374 VanDerWaalsContact O-N 3.07Å; A372-E374 PolarHBondContact O-N 3.27Å; E374-H378 PolarHBondContact O-N 2.9Å
375V98.6Very high97Very high0 Ų054.1 Ų54.10%030%0.302CS..Hα-helixtrans-69.1-41178.2-170.90000110.3I230 W302 L356 L365 A372 L373 E377 H378 F381I230-V375 HydrophobicContact CD1-CG1 3.61Å; I230-V375 HydrophobicContact CG1-CG1 4.13Å; W302-V375 HydrophobicContact CD2-CG2 4.15Å; W302-V375 HydrophobicContact CE3-CG2 3.82Å; W302-V375 HydrophobicContact CH2-CG2 4.2Å; W302-V375 HydrophobicContact CZ2-CG2 4.47Å; W302-V375 HydrophobicContact CZ3-CB 4.45Å; W302-V375 HydrophobicContact CZ3-CG2 3.85Å; L356-V375 HydrophobicContact CD2-CG2 4.36Å; L365-V375 HydrophobicContact CD2-CG1 4.45Å; L365-V375 HydrophobicContact CD2-CG2 4.34Å; L365-V375 HydrophobicContact CG-CG2 4.09Å; A372-V375 PolarHBondContact O-N 3.28Å; A372-V375 VanDerWaalsContact O-N 3.1Å; L373-V375 VanDerWaalsContact C-N 3.32Å; L373-V375 PolarHBondContact O-N 3.09Å; V375-E377 PolarHBondContact O-N 3.47Å; V375-H378 WeakPolarHBondContact O-CB 3.38Å; V375-H378 PolarHBondContact O-N 3.31Å; V375-F381 HydrophobicContact CG1-CE2 4.07Å; V375-F381 VanDerWaalsContact O-CD2 3.23Å; V375-F381 WeakPolarHBondContact O-CD2 3.48Å
376K98.5Very high96.8Very high30 Ų3055.2 Ų55.213%0.1331%0.305CS..Hα-helixtrans-65.4-35.2-179.8-70.7179.5177.7178.50113.8I230 L231 E234 A372 L373 H378 W386I230-K376 HydrophobicContact CG2-CG 4.05Å; L231-K376 VanDerWaalsContact CD2-CE 3.4Å; E234-K376 IonicContact OE1-NZ 2.68Å; E234-K376 PolarHBondContact OE1-NZ 3.07Å; E234-K376 WeakPolarHBondContact OE2-CE 3.44Å; E234-K376 IonicContact OE2-NZ 2.64Å; E234-K376 PolarHBondContact OE2-NZ 3.26Å; A372-K376 VanDerWaalsContact O-CG 3.28Å; A372-K376 WeakPolarHBondContact O-CG 3.32Å; A372-K376 PolarHBondContact O-N 2.9Å; L373-K376 PolarHBondContact O-N 3.18Å; K376-H378 VanDerWaalsContact C-N 3.28Å; K376-W386 VanDerWaalsContact CA-CZ2 3.43Å; K376-W386 HydrophobicContact CB-CD2 4.14Å; K376-W386 HydrophobicContact CB-CH2 4.3Å; K376-W386 HydrophobicContact CB-CZ2 3.64Å; K376-W386 HydrophobicContact CD-CD2 3.83Å; K376-W386 HydrophobicContact CD-CE3 4.03Å; K376-W386 HydrophobicContact CD-CG 4.19Å; K376-W386 HydrophobicContact CD-CZ3 4.44Å; K376-W386 HydrophobicContact CG-CD2 3.71Å; K376-W386 VanDerWaalsContact CG-CE2 3.49Å; K376-W386 HydrophobicContact CG-CE3 3.89Å; K376-W386 HydrophobicContact CG-CG 4.44Å; K376-W386 HydrophobicContact CG-CH2 3.71Å; K376-W386 HydrophobicContact CG-CZ2 3.54Å; K376-W386 HydrophobicContact CG-CZ3 3.87Å; K376-W386 PolarHBondContact O-NE1 3.28Å
377E98Very high96.3Very high106 Ų10659.9 Ų59.950%0.49533%0.325SS..THydrogen-bonded Turntrans-81.3-6.6178.8-72.2175.8175.500113.2R370 L373 V375R370-E377 IonicContact CZ-OE2 3.15Å; R370-E377 IonicContact NH1-OE1 2.71Å; R370-E377 PolarHBondContact NH1-OE1 2.98Å; R370-E377 VanDerWaalsContact NH1-OE1 3.15Å; R370-E377 IonicContact NH1-OE2 2.7Å; R370-E377 PolarHBondContact NH1-OE2 3.3Å; R370-E377 IonicContact NH2-OE2 2.7Å; R370-E377 PolarHBondContact NH2-OE2 2.91Å; L373-E377 HydrophobicContact CD1-CG 4.03Å; L373-E377 WeakPolarHBondContact CD1-OE1 3.34Å; L373-E377 HydrophobicContact CG-CG 4.32Å; L373-E377 WeakPolarHBondContact CG-OE1 3.49Å; L373-E377 WeakPolarHBondContact O-CB 3.48Å; L373-E377 WeakPolarHBondContact O-CG 3.39Å; L373-E377 PolarHBondContact O-N 3.45Å; V375-E377 PolarHBondContact O-N 3.47Å
378H98.6Very high95.8Very high20 Ų2060.2 Ų60.29%0.09332%0.324CS..SBendtrans-61.7143-179.7-167.7-86.1000112E348 D351 L352 L365 E374 V375 K376 F380 F381E348-H378 PolarHBondContact O-CE1 2.83Å; D351-H378 IonicContact OD2-CE1 2.88Å; D351-H378 IonicContact OD2-NE2 3Å; D351-H378 PolarHBondContact OD2-NE2 3.13Å; D351-H378 VanDerWaalsContact OD2-NE2 3.09Å; L352-H378 VanDerWaalsContact CA-CE1 3.41Å; L352-H378 WeakPolarHBondContact CA-CE1 3.42Å; L352-H378 VanDerWaalsContact CB-CE1 3.49Å; L352-H378 WeakPolarHBondContact CB-CE1 3.4Å; L352-H378 HydrophobicContact CD1-CB 4.39Å; L352-H378 PolarHBondContact N-CE1 3.42Å; L352-H378 VanDerWaalsContact N-CE1 3.29Å; L352-H378 PolarHBondContact N-NE2 3.32Å; L365-H378 HydrophobicContact CD2-CB 4.42Å; E374-H378 PolarHBondContact O-N 2.9Å; V375-H378 WeakPolarHBondContact O-CB 3.38Å; V375-H378 PolarHBondContact O-N 3.31Å; K376-H378 VanDerWaalsContact C-N 3.28Å; H378-F380 WeakPolarHBondContact ND1-CB 3.46Å; H378-F380 PolarHBondContact ND1-N 2.89Å; H378-F380 PolarHBondContact O-N 2.84Å; H378-F380 VanDerWaalsContact O-N 3.07Å; H378-F381 HydrophobicContact CB-CD2 4.26Å; H378-F381 PolarHBondContact O-N 3.35Å
379Q98.3Very high95.8Very high117 Ų11754.3 Ų54.355%0.54730%0.297SS..G310 helixtrans-58.9-29.2-173.7-69.2-65.45.400114E348 F381 K382E348-Q379 HydrophobicContact CG-CB 4.35Å; Q379-F381 PolarHBondContact O-N 3.29Å; Q379-K382 WeakPolarHBondContact O-CB 2.76Å; Q379-K382 PolarHBondContact O-N 2.93Å
380F98.6Very high95.8Very high1 Ų155.1 Ų55.10%0.00428%0.277CS..G310 helixtrans-57.1-32.1173.7-174.9-99.2000113.2E219 M222 R223 E348 L349 L352 H378E219-F380 HydrophobicContact CB-CE2 4.43Å; E219-F380 HydrophobicContact CB-CZ 4.45Å; M222-F380 HydrophobicContact CE-CE1 3.92Å; M222-F380 HydrophobicContact CE-CE2 4.44Å; M222-F380 HydrophobicContact CE-CZ 3.56Å; M222-F380 HydrophobicContact SD-CE1 4.42Å; R223-F380 HydrophobicContact CB-CE1 3.67Å; R223-F380 HydrophobicContact CB-CZ 3.96Å; R223-F380 HydrophobicContact CG-CD1 4.26Å; R223-F380 HydrophobicContact CG-CE1 3.66Å; R223-F380 HydrophobicContact CG-CZ 4.32Å; R223-F380 PolarHBondContact NE-O 3.02Å; R223-F380 VanDerWaalsContact NH2-CE2 3.33Å; R223-F380 PolarHBondContact NH2-O 3.08Å; E348-F380 HydrophobicContact CB-CB 4.29Å; E348-F380 HydrophobicContact CB-CD2 4.35Å; L349-F380 HydrophobicContact CB-CD2 4.02Å; L349-F380 HydrophobicContact CB-CE2 3.9Å; L349-F380 HydrophobicContact CD1-CD2 4.42Å; L349-F380 HydrophobicContact CD1-CE2 3.98Å; L349-F380 HydrophobicContact CD1-CZ 4.27Å; L349-F380 HydrophobicContact CG-CE2 4.46Å; L352-F380 HydrophobicContact CB-CB 4.24Å; L352-F380 HydrophobicContact CD2-CB 4Å; L352-F380 HydrophobicContact CD2-CD1 3.5Å; L352-F380 HydrophobicContact CD2-CE1 4.09Å; L352-F380 HydrophobicContact CD2-CG 3.76Å; H378-F380 WeakPolarHBondContact ND1-CB 3.46Å; H378-F380 PolarHBondContact ND1-N 2.89Å; H378-F380 PolarHBondContact O-N 2.84Å; H378-F380 VanDerWaalsContact O-N 3.07Å
381F98.4Very high95.5Very high4 Ų451.8 Ų51.82%0.01827%0.269CS..G310 helixtrans-97.310.6178.6-60.1-75.1000113.2R223 A226 I230 L352 V375 H378 Q379 G383 I384 W386R223-F381 HydrophobicContact CG-CD1 3.89Å; R223-F381 HydrophobicContact CG-CE1 3.98Å; A226-F381 HydrophobicContact CB-CE1 3.99Å; A226-F381 HydrophobicContact CB-CZ 4.01Å; I230-F381 HydrophobicContact CD1-CE1 4.09Å; I230-F381 HydrophobicContact CD1-CE2 3.85Å; I230-F381 HydrophobicContact CD1-CZ 3.49Å; I230-F381 VanDerWaalsContact CD1-CZ 3.49Å; L352-F381 HydrophobicContact CD1-CE2 4.02Å; L352-F381 HydrophobicContact CD2-CE2 3.94Å; L352-F381 HydrophobicContact CD2-CZ 4.1Å; V375-F381 HydrophobicContact CG1-CE2 4.07Å; V375-F381 VanDerWaalsContact O-CD2 3.23Å; V375-F381 WeakPolarHBondContact O-CD2 3.48Å; H378-F381 HydrophobicContact CB-CD2 4.26Å; H378-F381 PolarHBondContact O-N 3.35Å; Q379-F381 PolarHBondContact O-N 3.29Å; F381-G383 PolarHBondContact O-N 3.26Å; F381-I384 HydrophobicContact CB-CG1 4.29Å; F381-I384 HydrophobicContact CD1-CG1 4.46Å; F381-I384 VanDerWaalsContact O-CB 3.32Å; F381-I384 WeakPolarHBondContact O-CB 3.12Å; F381-I384 WeakPolarHBondContact O-CG1 3.4Å; F381-I384 PolarHBondContact O-N 3.46Å; F381-W386 HydrophobicContact CB-CZ2 3.86Å; F381-W386 HydrophobicContact CD1-CH2 4.2Å; F381-W386 HydrophobicContact CD1-CZ2 4.16Å; F381-W386 HydrophobicContact CD2-CZ2 4.44Å; F381-W386 HydrophobicContact CG-CH2 4.3Å; F381-W386 AromaticContact CG-CZ2 3.9Å; F381-W386 HydrophobicContact CG-CZ2 3.9Å
382K96.6Very high95.4Very high162 Ų16253.3 Ų53.370%0.70427%0.269SS*.THydrogen-bonded Turntrans-54.8127.3177.3-176.1-179-178.4178.20110.6Q379Q379-K382 WeakPolarHBondContact O-CB 2.76Å; Q379-K382 PolarHBondContact O-N 2.93Å
383G91.8Very high95.2Very high75 Ų7558.7 Ų58.777%0.77329%0.292SS*.THydrogen-bonded Turntrans89.6-3.4-178.700000114.7F381 D385F381-G383 PolarHBondContact O-N 3.26Å; G383-D385 PolarHBondContact O-N 2.98Å
384I94.6Very high95Very high35 Ų3558.6 Ų58.618%0.17929%0.287CS..  trans-74.3119.8168.2-64.3-66.6000109.3F381 W386 V389 Y394F381-I384 HydrophobicContact CB-CG1 4.29Å; F381-I384 HydrophobicContact CD1-CG1 4.46Å; F381-I384 VanDerWaalsContact O-CB 3.32Å; F381-I384 WeakPolarHBondContact O-CB 3.12Å; F381-I384 WeakPolarHBondContact O-CG1 3.4Å; F381-I384 PolarHBondContact O-N 3.46Å; I384-W386 HydrophobicContact CG2-CD2 4.09Å; I384-W386 HydrophobicContact CG2-CG 4.35Å; I384-W386 HydrophobicContact CG2-CZ2 4.3Å; I384-W386 PolarHBondContact O-N 3.46Å; I384-V389 HydrophobicContact CG2-CG2 3.55Å; I384-Y394 HydrophobicContact CD1-CE1 4.15Å
385D90.6Very high94.8Very high77 Ų7763.2 Ų63.241%0.41232%0.318SS..  trans-81.2104.3162.5-174.7-26.4000109.7G383 Q387 Q388 V389 Y394G383-D385 PolarHBondContact O-N 2.98Å; D385-Q387 VanDerWaalsContact C-N 3.25Å; D385-Q387 PolarHBondContact O-N 3.12Å; D385-Q387 WeakPolarHBondContact OD1-CA 3.45Å; D385-Q387 WeakPolarHBondContact OD1-CB 3.32Å; D385-Q387 PolarHBondContact OD1-N 2.71Å; D385-Q388 HydrophobicContact CB-CB 4.02Å; D385-Q388 HydrophobicContact CB-CG 3.93Å; D385-Q388 PolarHBondContact O-N 2.64Å; D385-Q388 VanDerWaalsContact O-N 3.16Å; D385-Q388 PolarHBondContact OD1-N 2.82Å; D385-V389 WeakPolarHBondContact O-CG2 3.46Å; D385-V389 PolarHBondContact O-N 2.85Å; D385-Y394 PolarHBondContact N-OH 2.75Å
386W93.9Very high94.7Very high45 Ų4564.5 Ų64.517%0.1733%0.326CS..Hα-helixtrans-65.6-24.5-178-67.794.4000113.9A227 I230 L231 K376 F381 I384 V389 Y390A227-W386 HydrophobicContact CB-CH2 4.14Å; A227-W386 HydrophobicContact CB-CZ3 3.96Å; I230-W386 HydrophobicContact CB-CH2 4.38Å; I230-W386 HydrophobicContact CB-CZ3 4.19Å; I230-W386 HydrophobicContact CD1-CH2 3.96Å; I230-W386 HydrophobicContact CG2-CH2 4.13Å; I230-W386 HydrophobicContact CG2-CZ3 3.96Å; L231-W386 HydrophobicContact CD1-CE3 4.31Å; L231-W386 HydrophobicContact CD2-CE3 3.92Å; L231-W386 HydrophobicContact CD2-CZ3 4.43Å; L231-W386 HydrophobicContact CG-CE3 4.03Å; L231-W386 HydrophobicContact CG-CZ3 4.27Å; K376-W386 VanDerWaalsContact CA-CZ2 3.43Å; K376-W386 HydrophobicContact CB-CD2 4.14Å; K376-W386 HydrophobicContact CB-CH2 4.3Å; K376-W386 HydrophobicContact CB-CZ2 3.64Å; K376-W386 HydrophobicContact CD-CD2 3.83Å; K376-W386 HydrophobicContact CD-CE3 4.03Å; K376-W386 HydrophobicContact CD-CG 4.19Å; K376-W386 HydrophobicContact CD-CZ3 4.44Å; K376-W386 HydrophobicContact CG-CD2 3.71Å; K376-W386 VanDerWaalsContact CG-CE2 3.49Å; K376-W386 HydrophobicContact CG-CE3 3.89Å; K376-W386 HydrophobicContact CG-CG 4.44Å; K376-W386 HydrophobicContact CG-CH2 3.71Å; K376-W386 HydrophobicContact CG-CZ2 3.54Å; K376-W386 HydrophobicContact CG-CZ3 3.87Å; K376-W386 PolarHBondContact O-NE1 3.28Å; F381-W386 HydrophobicContact CB-CZ2 3.86Å; F381-W386 HydrophobicContact CD1-CH2 4.2Å; F381-W386 HydrophobicContact CD1-CZ2 4.16Å; F381-W386 HydrophobicContact CD2-CZ2 4.44Å; F381-W386 HydrophobicContact CG-CH2 4.3Å; F381-W386 AromaticContact CG-CZ2 3.9Å; F381-W386 HydrophobicContact CG-CZ2 3.9Å; I384-W386 HydrophobicContact CG2-CD2 4.09Å; I384-W386 HydrophobicContact CG2-CG 4.35Å; I384-W386 HydrophobicContact CG2-CZ2 4.3Å; I384-W386 PolarHBondContact O-N 3.46Å; W386-V389 PolarHBondContact O-N 3.07Å; W386-Y390 PolarHBondContact O-N 3.09Å
387Q87.4Confident94.6Very high101 Ų10165.2 Ų65.247%0.47233%0.333SS..Hα-helixtrans-70.7-42173.7-176.36321.600110.1D385 V389 Y390 L391D385-Q387 VanDerWaalsContact C-N 3.25Å; D385-Q387 PolarHBondContact O-N 3.12Å; D385-Q387 WeakPolarHBondContact OD1-CA 3.45Å; D385-Q387 WeakPolarHBondContact OD1-CB 3.32Å; D385-Q387 PolarHBondContact OD1-N 2.71Å; Q387-V389 VanDerWaalsContact C-N 3.3Å; Q387-V389 PolarHBondContact O-N 3.3Å; Q387-Y390 WeakPolarHBondContact O-CB 3.2Å; Q387-Y390 PolarHBondContact O-N 3.1Å; Q387-L391 HydrophobicContact CG-CD1 4.21Å; Q387-L391 WeakPolarHBondContact O-CG 3.15Å; Q387-L391 PolarHBondContact O-N 2.92Å
388Q88.3Confident94.4Very high39 Ų3961.2 Ų61.218%0.18232%0.316CS..Hα-helixtrans-66.6-31.5175-66-64-49.700112.2D24 D385 Q392 K393 Y394D24-Q388 PolarHBondContact OD1-NE2 2.96Å; D385-Q388 HydrophobicContact CB-CB 4.02Å; D385-Q388 HydrophobicContact CB-CG 3.93Å; D385-Q388 PolarHBondContact O-N 2.64Å; D385-Q388 VanDerWaalsContact O-N 3.16Å; D385-Q388 PolarHBondContact OD1-N 2.82Å; Q388-Q392 PolarHBondContact O-N 3.28Å; Q388-K393 HydrophobicContact CB-CB 4.38Å; Q388-K393 PolarHBondContact O-N 3.31Å; Q388-K393 VanDerWaalsContact OE1-CB 3.31Å; Q388-K393 VanDerWaalsContact OE1-CG 3.29Å; Q388-Y394 HydrophobicContact CB-CD2 4.25Å; Q388-Y394 HydrophobicContact CB-CE2 3.68Å
389V95.6Very high94.1Very high6 Ų665.8 Ų65.84%0.03634%0.339CS..Hα-helixtrans-62.8-52.6168.1-177.20000109.7F181 A227 E228 L231 I384 D385 W386 Q387 L391 Q392 Y394F181-V389 HydrophobicContact CZ-CG1 4.2Å; F181-V389 WeakPolarHBondContact CZ-O 3.33Å; A227-V389 HydrophobicContact CB-CG1 4.03Å; A227-V389 HydrophobicContact CB-CG2 4.18Å; E228-V389 HydrophobicContact CG-CG1 4.04Å; L231-V389 HydrophobicContact CD1-CB 3.92Å; L231-V389 HydrophobicContact CD1-CG1 3.58Å; I384-V389 HydrophobicContact CG2-CG2 3.55Å; D385-V389 WeakPolarHBondContact O-CG2 3.46Å; D385-V389 PolarHBondContact O-N 2.85Å; W386-V389 PolarHBondContact O-N 3.07Å; Q387-V389 VanDerWaalsContact C-N 3.3Å; Q387-V389 PolarHBondContact O-N 3.3Å; V389-L391 PolarHBondContact O-N 3.13Å; V389-Q392 WeakPolarHBondContact O-CA 3.37Å; V389-Q392 PolarHBondContact O-N 3.18Å; V389-Y394 HydrophobicContact CB-CD2 4.46Å; V389-Y394 HydrophobicContact CG2-CD2 3.72Å; V389-Y394 HydrophobicContact CG2-CE2 3.64Å
390Y94.1Very high93.6Very high92 Ų9260.7 Ų60.736%0.36132%0.316SS..Hα-helixtrans-55-38.8179.6-174.5-92.3000112.9D178 P180 F181 W386 Q387 Q392D178-Y390 PolarHBondContact O-OH 3.46Å; P180-Y390 HydrophobicContact CG-CD2 4.33Å; P180-Y390 HydrophobicContact CG-CE2 4.23Å; P180-Y390 WeakPolarHBondContact CG-O 3.42Å; F181-Y390 HydrophobicContact CE2-CD2 4.05Å; W386-Y390 PolarHBondContact O-N 3.09Å; Q387-Y390 WeakPolarHBondContact O-CB 3.2Å; Q387-Y390 PolarHBondContact O-N 3.1Å; Y390-Q392 PolarHBondContact O-N 3.36Å
391L91.4Very high92.7Very high64 Ų6463.8 Ų63.834%0.33534%0.337SS..THydrogen-bonded Turntrans-79.45.5176.1-64.9174000114.2D24 Q387 V389 K393D24-L391 VanDerWaalsContact OD1-CD1 3.24Å; D24-L391 WeakPolarHBondContact OD1-CD1 3.33Å; Q387-L391 HydrophobicContact CG-CD1 4.21Å; Q387-L391 WeakPolarHBondContact O-CG 3.15Å; Q387-L391 PolarHBondContact O-N 2.92Å; V389-L391 PolarHBondContact O-N 3.13Å; L391-K393 VanDerWaalsContact C-N 3.31Å; L391-K393 HydrophobicContact CB-CG 3.84Å; L391-K393 PolarHBondContact O-N 2.8Å
392Q95.8Very high91.4Very high55 Ų5575.1 Ų75.126%0.25738%0.379SS..THydrogen-bonded Turntrans55.541.2179-57.5-176.7-79.900112.9P180 F181 H258 Q388 V389 Y390P180-Q392 HydrophobicContact CB-CG 4.27Å; F181-Q392 HydrophobicContact CE1-CG 4.27Å; H258-Q392 VanDerWaalsContact CB-NE2 3.31Å; H258-Q392 PolarHBondContact CE1-O 2.91Å; H258-Q392 PolarHBondContact NE2-O 3.19Å; Q388-Q392 PolarHBondContact O-N 3.28Å; V389-Q392 WeakPolarHBondContact O-CA 3.37Å; V389-Q392 PolarHBondContact O-N 3.18Å; Y390-Q392 PolarHBondContact O-N 3.36Å
393K93.1Very high89.7Confident121 Ų12170.1 Ų70.153%0.52637%0.374SS..  trans-93.6-17.8-175.9-61.7-62.4-172178.40114.5Q388 L391Q388-K393 HydrophobicContact CB-CB 4.38Å; Q388-K393 PolarHBondContact O-N 3.31Å; Q388-K393 VanDerWaalsContact OE1-CB 3.31Å; Q388-K393 VanDerWaalsContact OE1-CG 3.29Å; L391-K393 VanDerWaalsContact C-N 3.31Å; L391-K393 HydrophobicContact CB-CG 3.84Å; L391-K393 PolarHBondContact O-N 2.8Å
394Y93.7Very high88.1Confident70 Ų7071.8 Ų71.828%0.27536%0.362SS..SBendtrans-70.7136.1174.4-77.6-93.9000110.2F224 H258 I384 D385 Q388 V389 P396F224-Y394 WeakPolarHBondContact CE2-O 3.38Å; H258-Y394 PolarHBondContact CE1-O 2.59Å; I384-Y394 HydrophobicContact CD1-CE1 4.15Å; D385-Y394 PolarHBondContact N-OH 2.75Å; Q388-Y394 HydrophobicContact CB-CD2 4.25Å; Q388-Y394 HydrophobicContact CB-CE2 3.68Å; V389-Y394 HydrophobicContact CB-CD2 4.46Å; V389-Y394 HydrophobicContact CG2-CD2 3.72Å; V389-Y394 HydrophobicContact CG2-CE2 3.64Å; Y394-P396 WeakPolarHBondContact O-CD 3.41Å
395P95.6Very high86.1Confident108 Ų10871.2 Ų71.270%0.70136%0.36SS*.PPolyproline II helixtrans-68.6125178.127.3-33.1000110.3
396P96.8Very high84.3Confident26 Ų2668.6 Ų68.617%0.16935%0.346CS..PPolyproline II helixtrans-63.1143.9176.2-26.338.3000112F224 H256 Y394 L398F224-P396 HydrophobicContact CE1-CB 3.98Å; F224-P396 HydrophobicContact CE1-CG 4.36Å; F224-P396 HydrophobicContact CE2-CB 4.47Å; F224-P396 HydrophobicContact CE2-CG 4.29Å; F224-P396 HydrophobicContact CZ-CB 3.8Å; F224-P396 HydrophobicContact CZ-CG 3.71Å; H256-P396 VanDerWaalsContact O-CG 3.3Å; H256-P396 WeakPolarHBondContact O-CG 3.43Å; Y394-P396 WeakPolarHBondContact O-CD 3.41Å; P396-L398 VanDerWaalsContact C-N 3.34Å
397P95.4Very high82.3Confident45 Ų4568.4 Ų68.429%0.29235%0.354SS..SBendtrans-73.7-27.5-178.328.7-34.1000113E221 F224 Y225E221-P397 HydrophobicContact CB-CB 3.72Å; E221-P397 HydrophobicContact CB-CG 4.03Å; E221-P397 HydrophobicContact CG-CB 3.54Å; E221-P397 HydrophobicContact CG-CG 4.41Å; F224-P397 HydrophobicContact CB-CG 4.43Å; F224-P397 HydrophobicContact CD1-CG 4Å; F224-P397 HydrophobicContact CG-CG 4.39Å; Y225-P397 HydrophobicContact CD2-CG 4.35Å; Y225-P397 HydrophobicContact CE1-CG 4.22Å; Y225-P397 HydrophobicContact CE2-CG 3.57Å; Y225-P397 WeakPolarHBondContact OH-CG 3.15Å
398L93.1Very high80.4Confident23 Ų2365.2 Ų65.212%0.1235%0.345CS..  trans-129.8121.7178.2-175.9155.6000108.5H210 H214 Y225 L253 G257 P396 P400H210-L398 HydrophobicContact CB-CD1 4.09Å; H214-L398 HydrophobicContact CB-CD1 4.11Å; Y225-L398 WeakPolarHBondContact OH-CB 3.38Å; L253-L398 HydrophobicContact CD2-CD2 4.02Å; G257-L398 WeakPolarHBondContact CA-O 3.38Å; P396-L398 VanDerWaalsContact C-N 3.34Å; L398-P400 HydrophobicContact CD2-CG 4.26Å
399I92.6Very high78.5Confident115 Ų11567.6 Ų67.659%0.5936%0.359SS*.PPolyproline II helixtrans-100.9118.8171.3-58.3177.4000107.2
400P87.6Confident76.4Confident10 Ų1070 Ų707%0.06538%0.379CS..PPolyproline II helixtrans-58.3139.1-179.5-2837.4000112.5L253 D254 L398 R402L253-P400 HydrophobicContact CB-CG 4.11Å; L253-P400 HydrophobicContact CD2-CG 4.05Å; D254-P400 WeakPolarHBondContact O-CG 3.23Å; L398-P400 HydrophobicContact CD2-CG 4.26Å; P400-R402 PolarHBondContact O-N 3.2Å
401P80.9Confident74.2Confident66 Ų6674.5 Ų74.543%0.42940%0.401SS..PPolyproline II helixtrans-60.9129.1177.8-22.734.2000111.7G403 E404P401-G403 PolarHBondContact O-N 3.27Å; P401-G403 VanDerWaalsContact O-N 3.14Å; P401-E404 HydrophobicContact CB-CB 4.24Å; P401-E404 HydrophobicContact CB-CG 4.22Å; P401-E404 WeakPolarHBondContact CG-OE2 3.25Å; P401-E404 PolarHBondContact O-N 2.71Å
402R71.1Confident72.4Confident242 Ų24277.2 Ų77.291%0.91342%0.416SS*.THydrogen-bonded Turntrans-61.6119178.3-72.7-175.3175.6-178.8-1.6110.4P400P400-R402 PolarHBondContact O-N 3.2Å
403G60Low70.7Confident58 Ų5875.9 Ų75.960%0.59841%0.41SS*.THydrogen-bonded Turntrans106.5-24.2177.900000114.1P401 V405P401-G403 PolarHBondContact O-N 3.27Å; P401-G403 VanDerWaalsContact O-N 3.14Å; G403-V405 PolarHBondContact O-N 3.13Å
404E59.6Low69.1Low110 Ų11072.1 Ų72.151%0.51441%0.405SS..  trans-80.665.9167.6-69.1-179.7-168.900109.3P401 N406P401-E404 HydrophobicContact CB-CB 4.24Å; P401-E404 HydrophobicContact CB-CG 4.22Å; P401-E404 WeakPolarHBondContact CG-OE2 3.25Å; P401-E404 PolarHBondContact O-N 2.71Å; E404-N406 PolarHBondContact O-N 2.87Å
405V51.4Low68Low22 Ų2273.9 Ų73.913%0.13343%0.428CS..  trans-75.610.6-175.7176.20000112.5I125 N203 G403I125-V405 HydrophobicContact CG2-CG1 4.02Å; N203-V405 HydrophobicContact CB-CG1 3.88Å; N203-V405 WeakPolarHBondContact O-CA 3.41Å; G403-V405 PolarHBondContact O-N 3.13Å
406N53.1Low67.1Low22 Ų2271.4 Ų71.412%0.11841%0.406CS..SBendtrans-137.8145-172.4-48-22.5000112.3E404 A408 A410E404-N406 PolarHBondContact O-N 2.87Å; N406-A408 WeakPolarHBondContact CB-O 3.35Å; N406-A408 VanDerWaalsContact CG-O 3.24Å; N406-A408 PolarHBondContact ND2-O 3.24Å; N406-A408 PolarHBondContact O-N 3.21Å; N406-A410 PolarHBondContact ND2-N 2.81Å
407A51.6Low66.2Low41 Ų4174.5 Ų74.534%0.33942%0.421SS..SBendtrans-63.4-6.1157.400000113.5Y209Y209-A407 HydrophobicContact CD2-CB 3.89Å; Y209-A407 WeakPolarHBondContact CD2-O 3.35Å; Y209-A407 VanDerWaalsContact CE2-O 3.28Å; Y209-A407 WeakPolarHBondContact CE2-O 3.46Å; Y209-A407 HydrophobicContact CG-CB 3.84Å
408A48.3Very low65.3Low35 Ų3580 Ų8029%0.28944%0.443SS..SBendtrans-167.9138.1-178.400000110.6N406 D412 I413N406-A408 WeakPolarHBondContact CB-O 3.35Å; N406-A408 VanDerWaalsContact CG-O 3.24Å; N406-A408 PolarHBondContact ND2-O 3.24Å; N406-A408 PolarHBondContact O-N 3.21Å; A408-D412 HydrophobicContact CB-CB 3.72Å; A408-I413 HydrophobicContact CB-CG1 4.11Å
409D48.6Very low64.8Low89 Ų8984.3 Ų84.348%0.47646%0.462SS..  trans-50.4154.1176.2-164.4-55.3000111.2F411 D412 I413D409-F411 PolarHBondContact O-N 2.76Å; D409-F411 WeakPolarHBondContact OD1-CD2 3.16Å; D409-F411 PolarHBondContact OD1-N 3.03Å; D409-D412 HydrophobicContact CB-CB 4.33Å; D409-D412 WeakPolarHBondContact CB-OD2 3.3Å; D409-D412 PolarHBondContact N-OD2 3.43Å; D409-D412 CarbonylContact O-C 3.48Å; D409-D412 WeakPolarHBondContact O-CA 3.18Å; D409-D412 WeakPolarHBondContact O-CB 3.26Å; D409-D412 PolarHBondContact O-N 3.24Å; D409-I413 WeakPolarHBondContact O-CG1 3.45Å; D409-I413 PolarHBondContact O-N 2.81Å
410A51.3Low64.3Low55 Ų5583.1 Ų83.146%0.45546%0.458SS..THydrogen-bonded Turntrans-51.5-29.8173.800000112.3N406N406-A410 PolarHBondContact ND2-N 2.81Å
411F47.4Very low64.3Low187 Ų18783.4 Ų83.482%0.8246%0.459SS*.THydrogen-bonded Turntrans-70.8-31.5170.9-73.4-80.6000114.2D409D409-F411 PolarHBondContact O-N 2.76Å; D409-F411 WeakPolarHBondContact OD1-CD2 3.16Å; D409-F411 PolarHBondContact OD1-N 3.03Å
412D53.8Low64.4Low121 Ų12187 Ų8765%0.64747%0.468SS*.THydrogen-bonded Turntrans-86.8-18.4-178.9-62.3-34.8000113.4A408 D409 G414A408-D412 HydrophobicContact CB-CB 3.72Å; D409-D412 HydrophobicContact CB-CB 4.33Å; D409-D412 WeakPolarHBondContact CB-OD2 3.3Å; D409-D412 PolarHBondContact N-OD2 3.43Å; D409-D412 CarbonylContact O-C 3.48Å; D409-D412 WeakPolarHBondContact O-CA 3.18Å; D409-D412 WeakPolarHBondContact O-CB 3.26Å; D409-D412 PolarHBondContact O-N 3.24Å; D412-G414 PolarHBondContact O-N 3.38Å; D412-G414 VanDerWaalsContact O-N 3.17Å
413I59.8Low65.2Low28 Ų2878.9 Ų78.914%0.14446%0.459CS..THydrogen-bonded Turntrans-65-14.8172.6-63.6171.6000111I124 R127 A408 D409I124-I413 HydrophobicContact CG2-CD1 4.07Å; I124-I413 HydrophobicContact CG2-CG2 4.11Å; R127-I413 HydrophobicContact CB-CG2 3.6Å; R127-I413 WeakPolarHBondContact CD-O 3.5Å; R127-I413 PolarHBondContact NH1-O 2.91Å; A408-I413 HydrophobicContact CB-CG1 4.11Å; D409-I413 WeakPolarHBondContact O-CG1 3.45Å; D409-I413 PolarHBondContact O-N 2.81Å
414G59.4Low66.8Low41 Ų4177.9 Ų77.942%0.42344%0.44SS..  trans74.6-178.9179.100000112.8R127 D412R127-G414 PolarHBondContact NH1-O 3.23Å; R127-G414 PolarHBondContact NH2-O 3.45Å; D412-G414 PolarHBondContact O-N 3.38Å; D412-G414 VanDerWaalsContact O-N 3.17Å
415S69.8Low68.5Low107 Ų10780.3 Ų80.375%0.74845%0.449SS*.  trans-111.6155.1167.8600000110.7R127R127-S415 VanDerWaalsContact NH1-N 3.15Å; R127-S415 PolarHBondContact NH1-O 3.21Å; R127-S415 VanDerWaalsContact NH1-O 3.12Å
416F77.2Confident70.6Confident57 Ų5781.3 Ų81.325%0.2545%0.453CS..  trans-85.9127.6169.4-86.7-28.5000108R127 G128 E132 R154 E418R127-F416 HydrophobicContact CG-CE1 3.91Å; R127-F416 HydrophobicContact CG-CE2 4.22Å; R127-F416 HydrophobicContact CG-CZ 3.56Å; G128-F416 WeakPolarHBondContact O-CZ 3.43Å; E132-F416 HydrophobicContact CG-CD2 4.03Å; E132-F416 HydrophobicContact CG-CE2 3.55Å; E132-F416 HydrophobicContact CG-CZ 4.44Å; R154-F416 VanDerWaalsContact CZ-CD1 3.47Å; F416-E418 PolarHBondContact O-N 2.68Å
417D78.5Confident72.7Confident90 Ų9084.8 Ų84.848%0.48147%0.471SS..  trans-68.9122174.6-161.6-21.1000108.8R154 E419 D420R154-D417 PolarHBondContact NH2-O 2.93Å; D417-E419 VanDerWaalsContact OD1-CB 3.31Å; D417-E419 WeakPolarHBondContact OD1-CB 3.27Å; D417-E419 PolarHBondContact OD1-N 2.83Å; D417-D420 WeakPolarHBondContact O-CB 3.41Å; D417-D420 PolarHBondContact O-N 3.21Å
418E76.8Confident74.8Confident162 Ų16289.7 Ų89.776%0.75749%0.492SS*.SBendtrans-70.7-25.1177-68.2-166.7165.800111.1F416 D420 T421 K422F416-E418 PolarHBondContact O-N 2.68Å; E418-D420 PolarHBondContact O-N 3.08Å; E418-T421 PolarHBondContact O-N 2.79Å; E418-T421 PolarHBondContact O-OG1 2.86Å; E418-K422 PolarHBondContact O-N 2.86Å
419E81.6Confident77.1Confident112 Ų11291.8 Ų91.852%0.52350%0.504SS..G310 helixtrans-62.3-31.4176.3-65.2-68.9135.900111.8D417 T421 K422D417-E419 VanDerWaalsContact OD1-CB 3.31Å; D417-E419 WeakPolarHBondContact OD1-CB 3.27Å; D417-E419 PolarHBondContact OD1-N 2.83Å; E419-T421 PolarHBondContact O-N 3.22Å; E419-T421 VanDerWaalsContact O-N 3.1Å; E419-K422 VanDerWaalsContact CD-CD 3.47Å; E419-K422 VanDerWaalsContact O-CB 3.25Å; E419-K422 WeakPolarHBondContact O-CB 3.49Å; E419-K422 PolarHBondContact O-N 2.92Å; E419-K422 WeakPolarHBondContact OE1-CD 3.36Å; E419-K422 IonicContact OE1-NZ 3.79Å; E419-K422 PolarHBondContact OE1-NZ 2.81Å; E419-K422 WeakPolarHBondContact OE2-CD 3.39Å; E419-K422 IonicContact OE2-NZ 2.65Å; E419-K422 PolarHBondContact OE2-NZ 3.12Å
420D82.5Confident79.3Confident91 Ų9188.5 Ų88.549%0.48749%0.487SS..G310 helixtrans-56.4-32.1178.4-73.3-18.4000112.7R154 D417 E418R154-D420 IonicContact NH2-OD2 3.4Å; D417-D420 WeakPolarHBondContact O-CB 3.41Å; D417-D420 PolarHBondContact O-N 3.21Å; E418-D420 PolarHBondContact O-N 3.08Å
421T86.9Confident81.4Confident16 Ų1688.1 Ų88.110%0.09848%0.476CS..G310 helixtrans-105.21.4-177.365.50000113K153 R154 E418 E419 G423 I424K153-T421 HydrophobicContact CB-CG2 4.2Å; R154-T421 HydrophobicContact CG-CG2 3.56Å; E418-T421 PolarHBondContact O-N 2.79Å; E418-T421 PolarHBondContact O-OG1 2.86Å; E419-T421 PolarHBondContact O-N 3.22Å; E419-T421 VanDerWaalsContact O-N 3.1Å; T421-G423 PolarHBondContact O-N 2.86Å; T421-I424 PolarHBondContact O-N 3.29Å; T421-I424 VanDerWaalsContact O-N 3.07Å
422K83.3Confident83.7Confident142 Ų14284.7 Ų84.762%0.61746%0.462SS*.THydrogen-bonded Turntrans-71111.5-176.9-168.2179-178.4177.90109.5E418 E419E418-K422 PolarHBondContact O-N 2.86Å; E419-K422 VanDerWaalsContact CD-CD 3.47Å; E419-K422 VanDerWaalsContact O-CB 3.25Å; E419-K422 WeakPolarHBondContact O-CB 3.49Å; E419-K422 PolarHBondContact O-N 2.92Å; E419-K422 WeakPolarHBondContact OE1-CD 3.36Å; E419-K422 IonicContact OE1-NZ 3.79Å; E419-K422 PolarHBondContact OE1-NZ 2.81Å; E419-K422 WeakPolarHBondContact OE2-CD 3.39Å; E419-K422 IonicContact OE2-NZ 2.65Å; E419-K422 PolarHBondContact OE2-NZ 3.12Å
423G88.9Confident85.8Confident71 Ų7183 Ų8373%0.73245%0.452SS*.THydrogen-bonded Turntrans112.8-15.7-175.200000113.8T421 K425T421-G423 PolarHBondContact O-N 2.86Å; G423-K425 PolarHBondContact O-N 2.84Å
424I93.3Very high87.6Confident36 Ų3681.9 Ų81.919%0.18545%0.446CS..  trans-79.9118.7174.7-55.7-177.3000109.4K153 K156 M157 T421K153-I424 HydrophobicContact CB-CB 4.25Å; K153-I424 HydrophobicContact CB-CG2 4Å; K153-I424 WeakPolarHBondContact CE-O 3.33Å; K153-I424 HydrophobicContact CG-CG2 4.28Å; K156-I424 HydrophobicContact CB-CG2 4.46Å; K156-I424 HydrophobicContact CD-CG2 4.06Å; K156-I424 HydrophobicContact CG-CG2 4.4Å; M157-I424 HydrophobicContact CB-CD1 3.45Å; M157-I424 VanDerWaalsContact CB-CD1 3.45Å; M157-I424 HydrophobicContact CG-CD1 3.66Å; M157-I424 HydrophobicContact SD-CD1 3.99Å; T421-I424 PolarHBondContact O-N 3.29Å; T421-I424 VanDerWaalsContact O-N 3.07Å
425K95.1Very high89.3Confident162 Ų16285.9 Ų85.970%0.70445%0.452SS*.  trans-106.2138.2174.1-63.5-175.9-178.9-179.30110.3K156 G423K156-K425 PolarHBondContact NZ-O 2.87Å; G423-K425 PolarHBondContact O-N 2.84Å
426L96.1Very high90.6Very high43 Ų4387 Ų8723%0.22545%0.45CS..  trans-87.7122.7170.5-60.3173.6000108K152 K153 K156 P192 D430K152-L426 HydrophobicContact CB-CD1 3.71Å; K152-L426 HydrophobicContact CB-CD2 3.85Å; K152-L426 HydrophobicContact CB-CG 4.46Å; K152-L426 HydrophobicContact CD-CD1 4.27Å; K153-L426 HydrophobicContact CG-CD1 4.32Å; K153-L426 HydrophobicContact CG-CD2 4.33Å; K153-L426 HydrophobicContact CG-CG 4.14Å; K156-L426 HydrophobicContact CD-CD2 4.41Å; P192-L426 WeakPolarHBondContact O-CD1 3.24Å; L426-D430 WeakPolarHBondContact CA-OD2 3.49Å
427L96.4Very high91.6Very high95 Ų9584.3 Ų84.350%0.49744%0.438SS..  trans-95.6163.4176.6-54.3177.8000109.6S429 D430 Q431L427-S429 PolarHBondContact O-N 3.48Å; L427-D430 PolarHBondContact N-OD2 3.28Å; L427-D430 WeakPolarHBondContact O-CA 3.41Å; L427-D430 WeakPolarHBondContact O-CB 3.44Å; L427-D430 PolarHBondContact O-N 2.57Å; L427-Q431 PolarHBondContact O-N 2.95Å
428D95.5Very high92.6Very high144 Ų14483.2 Ų83.277%0.7744%0.436SS*.Hα-helixtrans-60-33.8175.7-62.4-25.2000112D430 Q431 E432D428-D430 PolarHBondContact O-N 2.98Å; D428-Q431 PolarHBondContact O-N 2.83Å; D428-Q431 VanDerWaalsContact O-N 3.12Å; D428-E432 PolarHBondContact O-N 3.11Å
429S96.1Very high93.6Very high78 Ų7878.2 Ų78.255%0.54541%0.414SS..Hα-helixtrans-61.4-32.717358.90000112.9L427L427-S429 PolarHBondContact O-N 3.48Å
430D96.1Very high94.4Very high21 Ų2174.8 Ų74.811%0.11240%0.401CS..Hα-helixtrans-74.1-34.6176.2-52.2-40.2000110.5K156 L426 L427 D428 L433 Y434K156-D430 IonicContact NZ-OD1 2.79Å; K156-D430 PolarHBondContact NZ-OD1 3.23Å; K156-D430 IonicContact NZ-OD2 2.69Å; K156-D430 PolarHBondContact NZ-OD2 3.43Å; L426-D430 WeakPolarHBondContact CA-OD2 3.49Å; L427-D430 PolarHBondContact N-OD2 3.28Å; L427-D430 WeakPolarHBondContact O-CA 3.41Å; L427-D430 WeakPolarHBondContact O-CB 3.44Å; L427-D430 PolarHBondContact O-N 2.57Å; D428-D430 PolarHBondContact O-N 2.98Å; D430-L433 WeakPolarHBondContact O-CB 3.47Å; D430-Y434 WeakPolarHBondContact O-CD2 3.4Å; D430-Y434 VanDerWaalsContact O-CE2 3.3Å; D430-Y434 WeakPolarHBondContact O-CE2 3.46Å
431Q95.6Very high95.2Very high47 Ų4771.1 Ų71.122%0.2238%0.381CS..Hα-helixtrans-70.3-36.3178.1-60-63-17.200111.9P192 L427 D428 L433 Y434 K435P192-Q431 PolarHBondContact O-NE2 3.04Å; L427-Q431 PolarHBondContact O-N 2.95Å; D428-Q431 PolarHBondContact O-N 2.83Å; D428-Q431 VanDerWaalsContact O-N 3.12Å; Q431-L433 PolarHBondContact O-N 3Å; Q431-Y434 PolarHBondContact O-N 3.19Å; Q431-K435 PolarHBondContact O-N 3.44Å
432E96.1Very high95.7Very high114 Ų11472.6 Ų72.653%0.53339%0.392SS..Hα-helixtrans-60.9-30.1179.4-168.864.2-163.200112.1D428 Y434 K435D428-E432 PolarHBondContact O-N 3.11Å; E432-Y434 PolarHBondContact O-N 3.28Å; E432-K435 WeakPolarHBondContact O-CB 3.44Å; E432-K435 PolarHBondContact O-N 3.35Å; E432-K435 WeakPolarHBondContact OE1-CD 3.25Å; E432-K435 IonicContact OE1-NZ 2.79Å; E432-K435 PolarHBondContact OE1-NZ 3.33Å; E432-K435 IonicContact OE2-NZ 3.32Å
433L96.9Very high96.4Very high86 Ų8669.4 Ų69.445%0.4538%0.379SS..THydrogen-bonded Turntrans-58-30.5173.5-63.9174.2000112.6E161 D430 Q431E161-L433 HydrophobicContact CB-CD1 4.41Å; E161-L433 HydrophobicContact CG-CD1 4.03Å; D430-L433 WeakPolarHBondContact O-CB 3.47Å; Q431-L433 PolarHBondContact O-N 3Å
434Y97.6Very high96.8Very high4 Ų466.8 Ų66.82%0.01635%0.347CS..THydrogen-bonded Turntrans-1034.9-174.6-53.1-60.8000113.7K152 I155 E161 L165 L195 D430 Q431 E432 N436 F437K152-Y434 HydrophobicContact CD-CD2 4.1Å; K152-Y434 HydrophobicContact CD-CE2 4.11Å; K152-Y434 HydrophobicContact CG-CE2 4.2Å; I155-Y434 WeakPolarHBondContact CG2-OH 3.36Å; E161-Y434 WeakPolarHBondContact CG-OH 3.45Å; L165-Y434 HydrophobicContact CD2-CD1 4.05Å; L165-Y434 HydrophobicContact CD2-CE1 4.49Å; L165-Y434 HydrophobicContact CG-CD1 4.5Å; L165-Y434 HydrophobicContact CG-CE1 4.46Å; L195-Y434 HydrophobicContact CD1-CD1 3.82Å; L195-Y434 HydrophobicContact CD1-CE1 3.58Å; L195-Y434 HydrophobicContact CD2-CD1 3.71Å; L195-Y434 HydrophobicContact CD2-CD2 4.33Å; L195-Y434 HydrophobicContact CD2-CE1 4.22Å; L195-Y434 HydrophobicContact CD2-CG 3.76Å; L195-Y434 HydrophobicContact CG-CD1 4.36Å; L195-Y434 HydrophobicContact CG-CE1 4.41Å; D430-Y434 WeakPolarHBondContact O-CD2 3.4Å; D430-Y434 VanDerWaalsContact O-CE2 3.3Å; D430-Y434 WeakPolarHBondContact O-CE2 3.46Å; Q431-Y434 PolarHBondContact O-N 3.19Å; E432-Y434 PolarHBondContact O-N 3.28Å; Y434-N436 PolarHBondContact O-N 3.36Å; Y434-F437 WeakPolarHBondContact O-CB 3.4Å; Y434-F437 PolarHBondContact O-N 2.89Å
435K95.8Very high97Very high125 Ų12565.5 Ų65.554%0.54334%0.34SS..THydrogen-bonded Turntrans-56.3-35.5-178.8179.2177.3-178.5177.70114Q431 E432Q431-K435 PolarHBondContact O-N 3.44Å; E432-K435 WeakPolarHBondContact O-CB 3.44Å; E432-K435 PolarHBondContact O-N 3.35Å; E432-K435 WeakPolarHBondContact OE1-CD 3.25Å; E432-K435 IonicContact OE1-NZ 2.79Å; E432-K435 PolarHBondContact OE1-NZ 3.33Å; E432-K435 IonicContact OE2-NZ 3.32Å
436N96.8Very high97.2Very high132 Ų13261.6 Ų61.671%0.70633%0.325SS*.THydrogen-bonded Turntrans-99.819.5177.4-59.8-35000112.4Y434Y434-N436 PolarHBondContact O-N 3.36Å
437F98.4Very high97.2Very high0 Ų063.2 Ų63.20%033%0.331CS..  trans-74-38.9174.9-172.4-88.8000113.3L165 R168 A188 F189 H190 L195 F197 Y434 L439L165-F437 HydrophobicContact CD2-CD2 4.26Å; R168-F437 HydrophobicContact CB-CD2 4.31Å; R168-F437 HydrophobicContact CB-CE2 3.96Å; R168-F437 WeakPolarHBondContact CD-O 3.31Å; R168-F437 HydrophobicContact CG-CD2 4.3Å; R168-F437 HydrophobicContact CG-CE2 4.17Å; A188-F437 HydrophobicContact CB-CD1 4.2Å; A188-F437 HydrophobicContact CB-CE1 3.81Å; A188-F437 HydrophobicContact CB-CZ 4.32Å; A188-F437 WeakPolarHBondContact CB-O 3.42Å; F189-F437 VanDerWaalsContact O-CE1 3.26Å; F189-F437 WeakPolarHBondContact O-CE1 3.31Å; H190-F437 HydrophobicContact CB-CD1 4.25Å; L195-F437 HydrophobicContact CB-CE1 3.99Å; L195-F437 HydrophobicContact CB-CE2 4.16Å; L195-F437 HydrophobicContact CB-CZ 3.73Å; L195-F437 HydrophobicContact CD1-CD2 4.27Å; L195-F437 HydrophobicContact CD1-CE2 3.94Å; L195-F437 HydrophobicContact CD1-CZ 4.36Å; L195-F437 HydrophobicContact CD2-CD1 4.1Å; L195-F437 HydrophobicContact CD2-CD2 4.12Å; L195-F437 HydrophobicContact CD2-CE1 4.26Å; L195-F437 HydrophobicContact CD2-CE2 4.29Å; L195-F437 HydrophobicContact CD2-CG 4.03Å; L195-F437 HydrophobicContact CD2-CZ 4.36Å; L195-F437 HydrophobicContact CG-CE2 4.37Å; L195-F437 HydrophobicContact CG-CZ 4.38Å; F197-F437 HydrophobicContact CD1-CZ 4.17Å; F197-F437 HydrophobicContact CD2-CZ 4.32Å; F197-F437 AromaticContact CE1-CE2 3.96Å; F197-F437 HydrophobicContact CE1-CE2 3.96Å; F197-F437 AromaticContact CE1-CZ 3.61Å; F197-F437 HydrophobicContact CE1-CZ 3.61Å; F197-F437 HydrophobicContact CE2-CE2 4.27Å; F197-F437 AromaticContact CE2-CZ 3.77Å; F197-F437 HydrophobicContact CE2-CZ 3.77Å; F197-F437 AromaticContact CZ-CE2 3.6Å; F197-F437 HydrophobicContact CZ-CE2 3.6Å; F197-F437 AromaticContact CZ-CZ 3.4Å; F197-F437 HydrophobicContact CZ-CZ 3.4Å; Y434-F437 WeakPolarHBondContact O-CB 3.4Å; Y434-F437 PolarHBondContact O-N 2.89Å; F437-L439 PolarHBondContact O-N 2.84Å
438P98.4Very high97.3Very high67 Ų6758.7 Ų58.744%0.43531%0.307SS..  trans-61.2134.9179.3-23.635.4000112.1A188A188-P438 CarbonylContact O-C 3.3Å; A188-P438 WeakPolarHBondContact O-CA 3.31Å
439L98.5Very high97.4Very high56 Ų5652.1 Ų52.129%0.29327%0.272SS..EExtended strand (participates in β ladder)trans-156.2143-179.4-176.662.4000110.8M185 Y187 A188 F437 I441M185-L439 HydrophobicContact CE-CD2 3.83Å; Y187-L439 CarbonylContact C-O 3.56Å; Y187-L439 WeakPolarHBondContact CA-O 3.44Å; A188-L439 HydrophobicContact CB-CB 4.28Å; A188-L439 PolarHBondContact N-O 3.31Å; A188-L439 PolarHBondContact O-N 2.99Å; F437-L439 PolarHBondContact O-N 2.84Å; L439-I441 HydrophobicContact CD2-CD1 3.82Å; L439-I441 HydrophobicContact CG-CD1 4.15Å
440V98.6Very high97.4Very high41 Ų4151 Ų5125%0.24827%0.268CS..EExtended strand (participates in β ladder)trans-119.2127.7168.7-178.40000108.1I112 Y187 S442 W445I112-V440 HydrophobicContact CB-CG2 4Å; I112-V440 HydrophobicContact CD1-CG1 4.12Å; I112-V440 HydrophobicContact CD1-CG2 4.38Å; I112-V440 HydrophobicContact CG2-CG2 3.76Å; Y187-V440 HydrophobicContact CD1-CB 4.36Å; Y187-V440 HydrophobicContact CD1-CG1 3.89Å; Y187-V440 HydrophobicContact CD1-CG2 4.08Å; Y187-V440 HydrophobicContact CE1-CG1 3.89Å; V440-S442 PolarHBondContact O-N 2.85Å; V440-W445 HydrophobicContact CG1-CB 3.9Å; V440-W445 HydrophobicContact CG1-CG 4.41Å
441I98.4Very high97.4Very high14 Ų1455.4 Ų55.47%0.07229%0.288CS..  trans-83.6104.7171.9-55.9-56.4000108.1T176 M185 T186 L439 E443 R444 W445T176-I441 HydrophobicContact CG2-CG2 4.22Å; M185-I441 HydrophobicContact CE-CD1 4.19Å; M185-I441 HydrophobicContact CE-CG1 4.32Å; M185-I441 VanDerWaalsContact O-CG1 3.28Å; M185-I441 WeakPolarHBondContact O-CG1 3.24Å; T186-I441 PolarHBondContact O-N 3.24Å; L439-I441 HydrophobicContact CD2-CD1 3.82Å; L439-I441 HydrophobicContact CG-CD1 4.15Å; I441-E443 VanDerWaalsContact C-N 3.34Å; I441-E443 PolarHBondContact O-N 3.2Å; I441-R444 HydrophobicContact CB-CB 4.13Å; I441-R444 HydrophobicContact CB-CG 4.08Å; I441-R444 HydrophobicContact CG2-CB 4.15Å; I441-R444 HydrophobicContact CG2-CG 3.72Å; I441-R444 PolarHBondContact O-N 3.24Å; I441-W445 PolarHBondContact O-N 3.34Å
442S97.8Very high97.5Very high47 Ų4756 Ų5633%0.32930%0.295SS..Hα-helixtrans-47.3-50.8-174.3-177.40000113.5E109 V440 R444 W445 Q446E109-S442 WeakPolarHBondContact OE1-CA 2.97Å; E109-S442 WeakPolarHBondContact OE1-CB 3.45Å; E109-S442 PolarHBondContact OE1-OG 3.28Å; V440-S442 PolarHBondContact O-N 2.85Å; S442-R444 PolarHBondContact O-N 3Å; S442-W445 PolarHBondContact O-N 2.89Å; S442-Q446 WeakPolarHBondContact O-CB 3.44Å; S442-Q446 VanDerWaalsContact O-CG 3.29Å; S442-Q446 WeakPolarHBondContact O-CG 3.25Å; S442-Q446 PolarHBondContact O-N 3.29Å; S442-Q446 PolarHBondContact OG-NE2 3.06Å
443E97.4Very high97.6Very high75 Ų7552.3 Ų52.335%0.3528%0.28SS..Hα-helixtrans-57.9-46179.3-175.3-176.8165.900111.8T176 G177 I441 Q446 Q447T176-E443 VanDerWaalsContact CA-OE2 3.28Å; T176-E443 WeakPolarHBondContact CA-OE2 3.15Å; T176-E443 WeakPolarHBondContact CB-OE2 3.44Å; G177-E443 WeakPolarHBondContact CA-OE1 3.42Å; G177-E443 PolarHBondContact N-OE1 2.98Å; G177-E443 PolarHBondContact N-OE2 3.36Å; G177-E443 VanDerWaalsContact N-OE2 3.15Å; I441-E443 VanDerWaalsContact C-N 3.34Å; I441-E443 PolarHBondContact O-N 3.2Å; E443-Q446 PolarHBondContact O-N 3.41Å; E443-Q447 WeakPolarHBondContact O-CB 3.34Å; E443-Q447 PolarHBondContact O-N 2.82Å
444R97.9Very high97.7Very high16 Ų1653.1 Ų53.16%0.0628%0.277CS..Hα-helixtrans-69.2-42.1-177.3-67.1-91.1177154.2-11.3112.5S175 D178 C184 T186 D200 I441 S442 Q447 E448S175-R444 PolarHBondContact O-NE 3.46Å; D178-R444 IonicContact OD1-CZ 2.95Å; D178-R444 IonicContact OD1-NE 3.44Å; D178-R444 PolarHBondContact OD1-NE 3.09Å; D178-R444 IonicContact OD1-NH2 3.99Å; C184-R444 VanDerWaalsContact CB-NH1 3.27Å; C184-R444 PolarHBondContact SG-NH2 2.83Å; C184-R444 VanDerWaalsContact SG-NH2 3.35Å; T186-R444 HydrophobicContact CG2-CB 3.74Å; D200-R444 VanDerWaalsContact CG-NH1 3.34Å; D200-R444 IonicContact OD1-NH1 2.68Å; D200-R444 PolarHBondContact OD1-NH1 3.29Å; D200-R444 IonicContact OD2-NH1 3.25Å; D200-R444 PolarHBondContact OD2-NH1 2.82Å; I441-R444 HydrophobicContact CB-CB 4.13Å; I441-R444 HydrophobicContact CB-CG 4.08Å; I441-R444 HydrophobicContact CG2-CB 4.15Å; I441-R444 HydrophobicContact CG2-CG 3.72Å; I441-R444 PolarHBondContact O-N 3.24Å; S442-R444 PolarHBondContact O-N 3Å; R444-Q447 PolarHBondContact O-N 3.18Å; R444-E448 WeakPolarHBondContact O-CB 3.46Å; R444-E448 PolarHBondContact O-N 2.81Å
445W98.3Very high97.6Very high8 Ų860.7 Ų60.73%0.0331%0.313CS..Hα-helixtrans-65.3-42.4175171.683.3000111.3W105 V108 E109 I112 Y187 V440 I441 S442 Q447 E448 V449W105-W445 AromaticContact CE3-CH2 3.93Å; W105-W445 HydrophobicContact CE3-CH2 3.93Å; W105-W445 HydrophobicContact CE3-CZ2 4.22Å; W105-W445 HydrophobicContact CZ3-CZ2 4.46Å; V108-W445 HydrophobicContact CB-CZ2 4.39Å; V108-W445 HydrophobicContact CG1-CZ2 3.92Å; E109-W445 HydrophobicContact CB-CD2 4.47Å; E109-W445 HydrophobicContact CB-CE3 3.83Å; E109-W445 HydrophobicContact CB-CH2 3.64Å; E109-W445 HydrophobicContact CB-CZ2 4.3Å; E109-W445 HydrophobicContact CB-CZ3 3.39Å; E109-W445 HydrophobicContact CG-CD2 4.17Å; E109-W445 HydrophobicContact CG-CE3 3.48Å; E109-W445 VanDerWaalsContact CG-CE3 3.48Å; E109-W445 HydrophobicContact CG-CH2 4.28Å; E109-W445 HydrophobicContact CG-CZ3 3.57Å; I112-W445 HydrophobicContact CD1-CD2 4.06Å; I112-W445 HydrophobicContact CD1-CG 3.93Å; I112-W445 HydrophobicContact CD1-CZ2 4.46Å; Y187-W445 HydrophobicContact CE1-CB 4.17Å; Y187-W445 AromaticContact CE1-CD1 3.92Å; Y187-W445 HydrophobicContact CE1-CG 4.4Å; Y187-W445 VanDerWaalsContact OH-CD1 3.27Å; V440-W445 HydrophobicContact CG1-CB 3.9Å; V440-W445 HydrophobicContact CG1-CG 4.41Å; I441-W445 PolarHBondContact O-N 3.34Å; S442-W445 PolarHBondContact O-N 2.89Å; W445-Q447 VanDerWaalsContact C-N 3.35Å; W445-Q447 PolarHBondContact O-N 2.63Å; W445-E448 WeakPolarHBondContact O-CB 3.37Å; W445-E448 PolarHBondContact O-N 3.03Å; W445-V449 HydrophobicContact CD2-CG2 4.2Å; W445-V449 HydrophobicContact CH2-CG2 4.48Å; W445-V449 HydrophobicContact CZ2-CG2 3.85Å; W445-V449 WeakPolarHBondContact O-CG2 3.18Å; W445-V449 PolarHBondContact O-N 3.48Å
446Q98Very high97.7Very high81 Ų8157.7 Ų57.738%0.37931%0.311SS..Hα-helixtrans-62.6-42.8176.6-73.8176.145.400111.4E109 S442 E443 V449 A450E109-Q446 PolarHBondContact OE2-NE2 2.87Å; S442-Q446 WeakPolarHBondContact O-CB 3.44Å; S442-Q446 VanDerWaalsContact O-CG 3.29Å; S442-Q446 WeakPolarHBondContact O-CG 3.25Å; S442-Q446 PolarHBondContact O-N 3.29Å; S442-Q446 PolarHBondContact OG-NE2 3.06Å; E443-Q446 PolarHBondContact O-N 3.41Å; Q446-V449 PolarHBondContact O-N 3.29Å; Q446-A450 VanDerWaalsContact O-CB 3.26Å; Q446-A450 WeakPolarHBondContact O-CB 3.48Å; Q446-A450 PolarHBondContact O-N 3.25Å
447Q96.8Very high97.7Very high76 Ų7654.3 Ų54.336%0.35530%0.295SS..Hα-helixtrans-63-45.7176.2-170.962.622.700111.7E443 R444 W445 V449 A450 E451E443-Q447 WeakPolarHBondContact O-CB 3.34Å; E443-Q447 PolarHBondContact O-N 2.82Å; R444-Q447 PolarHBondContact O-N 3.18Å; W445-Q447 VanDerWaalsContact C-N 3.35Å; W445-Q447 PolarHBondContact O-N 2.63Å; Q447-V449 VanDerWaalsContact C-N 3.33Å; Q447-V449 PolarHBondContact O-N 3.02Å; Q447-A450 PolarHBondContact O-N 2.73Å; Q447-E451 HydrophobicContact CG-CG 4.44Å; Q447-E451 WeakPolarHBondContact CG-OE1 3.2Å; Q447-E451 PolarHBondContact NE2-OE1 2.77Å; Q447-E451 WeakPolarHBondContact O-CB 3.49Å; Q447-E451 VanDerWaalsContact O-CG 3.25Å; Q447-E451 WeakPolarHBondContact O-CG 3.43Å; Q447-E451 PolarHBondContact O-N 2.96Å
448E97.4Very high97.6Very high0 Ų055.1 Ų55.10%030%0.3CS..Hα-helixtrans-52.7-50.2172.1168-175.214500111.9K138 T141 K143 Y145 Y187 R444 W445 T452K138-E448 WeakPolarHBondContact CD-OE1 3.39Å; K138-E448 IonicContact NZ-OE1 2.82Å; K138-E448 PolarHBondContact NZ-OE1 3.3Å; T141-E448 WeakPolarHBondContact CB-OE1 3.27Å; T141-E448 HydrophobicContact CG2-CG 3.98Å; T141-E448 WeakPolarHBondContact CG2-OE1 3.36Å; T141-E448 PolarHBondContact OG1-OE1 3.2Å; K143-E448 HydrophobicContact CB-CG 4Å; K143-E448 HydrophobicContact CD-CB 3.68Å; K143-E448 HydrophobicContact CD-CG 3.54Å; K143-E448 HydrophobicContact CG-CG 4.38Å; Y145-E448 WeakPolarHBondContact CE2-OE2 3.42Å; Y145-E448 PolarHBondContact OH-OE2 3.03Å; Y187-E448 PolarHBondContact OH-OE1 2.75Å; Y187-E448 PolarHBondContact OH-OE2 3Å; R444-E448 WeakPolarHBondContact O-CB 3.46Å; R444-E448 PolarHBondContact O-N 2.81Å; W445-E448 WeakPolarHBondContact O-CB 3.37Å; W445-E448 PolarHBondContact O-N 3.03Å; E448-T452 WeakPolarHBondContact O-CB 3.27Å; E448-T452 WeakPolarHBondContact O-CG2 3.16Å; E448-T452 PolarHBondContact O-N 3.19Å; E448-T452 PolarHBondContact O-OG1 3.07Å
449V98.3Very high97.5Very high6 Ų656.4 Ų56.44%0.03630%0.303CS..Hα-helixtrans-65.5-44.1-178.6167.10000111.1W105 T141 W445 Q446 Q447 E451 T452 V453 Y454W105-V449 HydrophobicContact CE3-CG1 4.06Å; W105-V449 HydrophobicContact CH2-CG1 3.58Å; W105-V449 HydrophobicContact CZ2-CG1 4.21Å; W105-V449 HydrophobicContact CZ3-CG1 3.49Å; W105-V449 VanDerWaalsContact CZ3-CG1 3.49Å; W105-V449 HydrophobicContact CZ3-CG2 4.37Å; T141-V449 HydrophobicContact CG2-CG2 4.47Å; W445-V449 HydrophobicContact CD2-CG2 4.2Å; W445-V449 HydrophobicContact CH2-CG2 4.48Å; W445-V449 HydrophobicContact CZ2-CG2 3.85Å; W445-V449 WeakPolarHBondContact O-CG2 3.18Å; W445-V449 PolarHBondContact O-N 3.48Å; Q446-V449 PolarHBondContact O-N 3.29Å; Q447-V449 VanDerWaalsContact C-N 3.33Å; Q447-V449 PolarHBondContact O-N 3.02Å; V449-E451 VanDerWaalsContact C-N 3.33Å; V449-E451 PolarHBondContact O-N 2.9Å; V449-T452 PolarHBondContact O-N 2.79Å; V449-V453 HydrophobicContact CG1-CG2 4.21Å; V449-V453 PolarHBondContact O-N 3.23Å; V449-Y454 HydrophobicContact CG1-CD2 4.1Å; V449-Y454 WeakPolarHBondContact O-CB 3.28Å; V449-Y454 PolarHBondContact O-N 2.63Å
450A97.3Very high97.5Very high55 Ų5557.8 Ų57.846%0.45531%0.31SS..Hα-helixtrans-59.7-41.2179.500000112.4Q446 Q447 T452Q446-A450 VanDerWaalsContact O-CB 3.26Å; Q446-A450 WeakPolarHBondContact O-CB 3.48Å; Q446-A450 PolarHBondContact O-N 3.25Å; Q447-A450 PolarHBondContact O-N 2.73Å; A450-T452 VanDerWaalsContact C-N 3.33Å; A450-T452 PolarHBondContact O-N 3.19Å
451E96.2Very high97.3Very high114 Ų11457.7 Ų57.753%0.53331%0.31SS..Hα-helixtrans-77.5-13.4-179.2-69.2170.3165.900114.2K143 Q447 V449K143-E451 IonicContact NZ-OE2 3.53Å; K143-E451 PolarHBondContact NZ-OE2 3.17Å; Q447-E451 HydrophobicContact CG-CG 4.44Å; Q447-E451 WeakPolarHBondContact CG-OE1 3.2Å; Q447-E451 PolarHBondContact NE2-OE1 2.77Å; Q447-E451 WeakPolarHBondContact O-CB 3.49Å; Q447-E451 VanDerWaalsContact O-CG 3.25Å; Q447-E451 WeakPolarHBondContact O-CG 3.43Å; Q447-E451 PolarHBondContact O-N 2.96Å; V449-E451 VanDerWaalsContact C-N 3.33Å; V449-E451 PolarHBondContact O-N 2.9Å
452T97.7Very high97.2Very high59 Ų5960.3 Ų60.336%0.36232%0.324SS..Hα-helixtrans-122.3-68-169.258.20000113.4E448 V449 A450E448-T452 WeakPolarHBondContact O-CB 3.27Å; E448-T452 WeakPolarHBondContact O-CG2 3.16Å; E448-T452 PolarHBondContact O-N 3.19Å; E448-T452 PolarHBondContact O-OG1 3.07Å; V449-T452 PolarHBondContact O-N 2.79Å; A450-T452 VanDerWaalsContact C-N 3.33Å; A450-T452 PolarHBondContact O-N 3.19Å
453V97.9Very high97.1Very high36 Ų3662.6 Ų62.622%0.21833%0.328CS..THydrogen-bonded Turntrans-117.6-11.9-163.3-610000113.9W105 T141 V449 E455 A456 V457W105-V453 HydrophobicContact CH2-CG2 4.45Å; T141-V453 HydrophobicContact CG2-CG2 4.13Å; V449-V453 HydrophobicContact CG1-CG2 4.21Å; V449-V453 PolarHBondContact O-N 3.23Å; V453-E455 PolarHBondContact O-N 3.36Å; V453-A456 PolarHBondContact O-N 2.85Å; V453-V457 HydrophobicContact CB-CG2 3.98Å; V453-V457 HydrophobicContact CG2-CG2 4.32Å; V453-V457 WeakPolarHBondContact O-CB 3.34Å; V453-V457 VanDerWaalsContact O-CG2 3.29Å; V453-V457 WeakPolarHBondContact O-CG2 3.27Å; V453-V457 PolarHBondContact O-N 3.15Å
454Y97.4Very high97Very high103 Ų10363.1 Ų63.140%0.40433%0.332SS..Hα-helixtrans-53.4-52-170.9-176-103.2000113.2W105 V449 N458W105-Y454 AromaticContact CD1-CE2 3.82Å; W105-Y454 HydrophobicContact CD2-CD2 4.42Å; W105-Y454 HydrophobicContact CD2-CE2 4.48Å; W105-Y454 AromaticContact CE2-CD2 3.76Å; W105-Y454 AromaticContact CE2-CE2 3.94Å; W105-Y454 HydrophobicContact CG-CE2 4.39Å; W105-Y454 AromaticContact CZ2-CD2 3.89Å; W105-Y454 HydrophobicContact CZ2-CD2 3.89Å; W105-Y454 HydrophobicContact CZ2-CE2 4.5Å; W105-Y454 AromaticContact NE1-CD2 3.8Å; W105-Y454 AromaticContact NE1-CE2 3.51Å; V449-Y454 HydrophobicContact CG1-CD2 4.1Å; V449-Y454 WeakPolarHBondContact O-CB 3.28Å; V449-Y454 PolarHBondContact O-N 2.63Å; Y454-N458 WeakPolarHBondContact CD1-ND2 3.46Å; Y454-N458 WeakPolarHBondContact CE1-ND2 3.5Å; Y454-N458 WeakPolarHBondContact CE2-ND2 3.47Å; Y454-N458 VanDerWaalsContact O-CB 3.31Å; Y454-N458 WeakPolarHBondContact O-CB 3.39Å; Y454-N458 VanDerWaalsContact O-CG 3.23Å; Y454-N458 PolarHBondContact O-N 2.87Å; Y454-N458 PolarHBondContact O-ND2 2.91Å
455E96.2Very high96.7Very high163 Ų16364.8 Ų64.876%0.76234%0.341SS*.Hα-helixtrans-64.6-48.5-177.8-64.2-170.4162.800112.1V453 N458 L459V453-E455 PolarHBondContact O-N 3.36Å; E455-N458 PolarHBondContact O-N 3.17Å; E455-L459 WeakPolarHBondContact O-CB 3.41Å; E455-L459 PolarHBondContact O-N 2.89Å
456A97.1Very high96.3Very high62 Ų6267.2 Ų67.251%0.51236%0.363SS..Hα-helixtrans-63-46.2-178.300000111.9V453 N458 L459 D460V453-A456 PolarHBondContact O-N 2.85Å; A456-N458 PolarHBondContact O-N 3Å; A456-L459 PolarHBondContact O-N 3.27Å; A456-D460 PolarHBondContact O-N 2.71Å
457V97.6Very high96Very high61 Ų6172.1 Ų72.137%0.3738%0.378SS..Hα-helixtrans-64.5-41.9179171.30000111.1W105 V453 T461W105-V457 HydrophobicContact CH2-CB 4.05Å; W105-V457 HydrophobicContact CH2-CG1 3.81Å; W105-V457 HydrophobicContact CH2-CG2 4.42Å; W105-V457 HydrophobicContact CZ2-CB 3.89Å; W105-V457 HydrophobicContact CZ2-CG1 3.62Å; V453-V457 HydrophobicContact CB-CG2 3.98Å; V453-V457 HydrophobicContact CG2-CG2 4.32Å; V453-V457 WeakPolarHBondContact O-CB 3.34Å; V453-V457 VanDerWaalsContact O-CG2 3.29Å; V453-V457 WeakPolarHBondContact O-CG2 3.27Å; V453-V457 PolarHBondContact O-N 3.15Å; V457-T461 VanDerWaalsContact O-CB 3.27Å; V457-T461 WeakPolarHBondContact O-CB 3.45Å; V457-T461 PolarHBondContact O-N 2.98Å; V457-T461 PolarHBondContact O-OG1 3.21Å
458N96.9Very high95.5Very high18 Ų1874.8 Ų74.810%0.09639%0.388CS..Hα-helixtrans-61.8-46.6176.5-79.4-41.2000111.7R101 W105 Y454 E455 A456 D460 T461 D462R101-N458 WeakPolarHBondContact CD-OD1 3.34Å; R101-N458 VanDerWaalsContact CG-OD1 3.31Å; R101-N458 WeakPolarHBondContact CG-OD1 3.2Å; R101-N458 PolarHBondContact NH1-O 2.86Å; R101-N458 PolarHBondContact NH1-OD1 3.27Å; R101-N458 VanDerWaalsContact NH1-OD1 3.08Å; W105-N458 PolarHBondContact NE1-OD1 2.87Å; Y454-N458 WeakPolarHBondContact CD1-ND2 3.46Å; Y454-N458 WeakPolarHBondContact CE1-ND2 3.5Å; Y454-N458 WeakPolarHBondContact CE2-ND2 3.47Å; Y454-N458 VanDerWaalsContact O-CB 3.31Å; Y454-N458 WeakPolarHBondContact O-CB 3.39Å; Y454-N458 VanDerWaalsContact O-CG 3.23Å; Y454-N458 PolarHBondContact O-N 2.87Å; Y454-N458 PolarHBondContact O-ND2 2.91Å; E455-N458 PolarHBondContact O-N 3.17Å; A456-N458 PolarHBondContact O-N 3Å; N458-D460 PolarHBondContact O-N 2.88Å; N458-T461 PolarHBondContact O-N 3.2Å; N458-D462 WeakPolarHBondContact O-CB 3.26Å; N458-D462 PolarHBondContact O-N 3.39Å
459L96.5Very high95Very high94 Ų9480.7 Ų80.749%0.49241%0.41SS..Hα-helixtrans-64.2-39.7-178.5-177.6132.4000112.3E455 A456 K463E455-L459 WeakPolarHBondContact O-CB 3.41Å; E455-L459 PolarHBondContact O-N 2.89Å; A456-L459 PolarHBondContact O-N 3.27Å; L459-K463 HydrophobicContact CD2-CD 4.47Å; L459-K463 WeakPolarHBondContact O-CG 3.43Å; L459-K463 PolarHBondContact O-N 3.08Å
460D97.1Very high94.4Very high85 Ų8582.9 Ų82.946%0.45543%0.429SS..Hα-helixtrans-73.8-35.3176.1-79.3-11.1000112.7A456 N458 K463 I464A456-D460 PolarHBondContact O-N 2.71Å; N458-D460 PolarHBondContact O-N 2.88Å; D460-K463 PolarHBondContact O-N 2.91Å; D460-K463 IonicContact OD1-NZ 3.35Å; D460-K463 PolarHBondContact OD1-NZ 3.33Å; D460-I464 VanDerWaalsContact O-CG1 3.31Å; D460-I464 WeakPolarHBondContact O-CG1 3.4Å; D460-I464 PolarHBondContact O-N 2.86Å
461T96.3Very high93.8Very high38 Ų3886.6 Ų86.623%0.23344%0.435CS..Hα-helixtrans-63.9-44.6173.7-56.50000111.1V457 N458 K463 I464 E465V457-T461 VanDerWaalsContact O-CB 3.27Å; V457-T461 WeakPolarHBondContact O-CB 3.45Å; V457-T461 PolarHBondContact O-N 2.98Å; V457-T461 PolarHBondContact O-OG1 3.21Å; N458-T461 PolarHBondContact O-N 3.2Å; T461-K463 VanDerWaalsContact C-N 3.31Å; T461-K463 PolarHBondContact O-N 3.15Å; T461-I464 PolarHBondContact O-N 3Å; T461-I464 VanDerWaalsContact O-N 3.08Å; T461-E465 HydrophobicContact CG2-CG 4.32Å; T461-E465 WeakPolarHBondContact O-CG 3.34Å; T461-E465 PolarHBondContact O-N 3.13Å
462D94.6Very high92.9Very high69 Ų6983.1 Ų83.137%0.36942%0.42SS..Hα-helixtrans-55.4-45.5175.4-71.2-9.4000111.1R101 N458 I464 E465 A466R101-D462 IonicContact CZ-OD1 3.59Å; R101-D462 IonicContact NH1-OD1 2.6Å; R101-D462 PolarHBondContact NH1-OD1 3.27Å; R101-D462 IonicContact NH2-OD1 2.76Å; R101-D462 PolarHBondContact NH2-OD1 2.99Å; N458-D462 WeakPolarHBondContact O-CB 3.26Å; N458-D462 PolarHBondContact O-N 3.39Å; D462-I464 PolarHBondContact O-N 2.98Å; D462-E465 PolarHBondContact O-N 3.46Å; D462-A466 VanDerWaalsContact O-CB 3.26Å; D462-A466 WeakPolarHBondContact O-CB 3.39Å; D462-A466 PolarHBondContact O-N 3.15Å
463K95.8Very high91.9Very high96 Ų9688.1 Ų88.142%0.41744%0.437SS..Hα-helixtrans-62.5-41.8176.4-70.4169.8-168.6162.60112.1L459 D460 T461 R467L459-K463 HydrophobicContact CD2-CD 4.47Å; L459-K463 WeakPolarHBondContact O-CG 3.43Å; L459-K463 PolarHBondContact O-N 3.08Å; D460-K463 PolarHBondContact O-N 2.91Å; D460-K463 IonicContact OD1-NZ 3.35Å; D460-K463 PolarHBondContact OD1-NZ 3.33Å; T461-K463 VanDerWaalsContact C-N 3.31Å; T461-K463 PolarHBondContact O-N 3.15Å; K463-R467 WeakPolarHBondContact O-CB 3.39Å; K463-R467 VanDerWaalsContact O-CG 3.24Å; K463-R467 WeakPolarHBondContact O-CG 3.49Å; K463-R467 PolarHBondContact O-N 3.48Å; K463-R467 VanDerWaalsContact O-N 3.09Å
464I95Very high90.9Very high86 Ų8694.5 Ų94.544%0.44146%0.464SS..Hα-helixtrans-66.1-45.4179.7-69.8165000110.4D460 T461 D462 R467 K468D460-I464 VanDerWaalsContact O-CG1 3.31Å; D460-I464 WeakPolarHBondContact O-CG1 3.4Å; D460-I464 PolarHBondContact O-N 2.86Å; T461-I464 PolarHBondContact O-N 3Å; T461-I464 VanDerWaalsContact O-N 3.08Å; D462-I464 PolarHBondContact O-N 2.98Å; I464-R467 PolarHBondContact O-N 3.15Å; I464-K468 HydrophobicContact CG2-CD 4.33Å; I464-K468 WeakPolarHBondContact O-CG 3.42Å; I464-K468 PolarHBondContact O-N 2.95Å
465E91.9Very high89.5Confident51 Ų5194.3 Ų94.324%0.23847%0.47CS..Hα-helixtrans-65.6-43.8179.4-71.3177.8159.100111.4R101 Q104 T461 D462 R467 K468 R469R101-E465 IonicContact NH2-OE2 3.15Å; R101-E465 PolarHBondContact NH2-OE2 3.34Å; Q104-E465 PolarHBondContact NE2-OE1 3.43Å; T461-E465 HydrophobicContact CG2-CG 4.32Å; T461-E465 WeakPolarHBondContact O-CG 3.34Å; T461-E465 PolarHBondContact O-N 3.13Å; D462-E465 PolarHBondContact O-N 3.46Å; E465-R467 VanDerWaalsContact C-N 3.35Å; E465-R467 PolarHBondContact O-N 3Å; E465-K468 PolarHBondContact O-N 2.7Å; E465-K468 VanDerWaalsContact O-N 3.17Å; E465-R469 WeakPolarHBondContact O-CG 3.42Å; E465-R469 PolarHBondContact O-N 3.34Å
466A91.1Very high87.8Confident59 Ų5989.4 Ų89.449%0.48846%0.463SS..Hα-helixtrans-59.3-43.2174.900000112.4D462 R469 A470D462-A466 VanDerWaalsContact O-CB 3.26Å; D462-A466 WeakPolarHBondContact O-CB 3.39Å; D462-A466 PolarHBondContact O-N 3.15Å; A466-R469 PolarHBondContact O-N 2.85Å; A466-A470 WeakPolarHBondContact O-CB 3.39Å; A466-A470 PolarHBondContact O-N 3.1Å
467R91.4Very high86.2Confident184 Ų18489.4 Ų89.469%0.69445%0.452SS*.Hα-helixtrans-63.1-41.7175-73.8172.9-175.2175.13112.1K463 I464 E465 K471K463-R467 WeakPolarHBondContact O-CB 3.39Å; K463-R467 VanDerWaalsContact O-CG 3.24Å; K463-R467 WeakPolarHBondContact O-CG 3.49Å; K463-R467 PolarHBondContact O-N 3.48Å; K463-R467 VanDerWaalsContact O-N 3.09Å; I464-R467 PolarHBondContact O-N 3.15Å; E465-R467 VanDerWaalsContact C-N 3.35Å; E465-R467 PolarHBondContact O-N 3Å; R467-K471 WeakPolarHBondContact O-CB 3.3Å; R467-K471 PolarHBondContact O-N 3.12Å
468K86.8Confident84.1Confident131 Ų13193.5 Ų93.557%0.5747%0.468SS*.Hα-helixtrans-63.7-47.3176.1-76177.9-179.4174.80111.5I464 E465 A470 K471 N472I464-K468 HydrophobicContact CG2-CD 4.33Å; I464-K468 WeakPolarHBondContact O-CG 3.42Å; I464-K468 PolarHBondContact O-N 2.95Å; E465-K468 PolarHBondContact O-N 2.7Å; E465-K468 VanDerWaalsContact O-N 3.17Å; K468-A470 PolarHBondContact O-N 3.37Å; K468-K471 PolarHBondContact O-N 2.93Å; K468-N472 WeakPolarHBondContact O-CB 3.39Å; K468-N472 PolarHBondContact O-N 3.29Å
469R85.1Confident82.4Confident124 Ų12498.6 Ų98.647%0.46849%0.491SS..Hα-helixtrans-57.3-47176-74.1178.7-177.2178.1-0.4111.3D97 E465 A466 K471 N472 K473D97-R469 IonicContact OD1-NH2 2.68Å; D97-R469 IonicContact OD2-CZ 3.2Å; D97-R469 IonicContact OD2-NH1 3.89Å; D97-R469 PolarHBondContact OD2-NH1 3.09Å; D97-R469 IonicContact OD2-NH2 2.85Å; D97-R469 PolarHBondContact OD2-NH2 3.37Å; E465-R469 WeakPolarHBondContact O-CG 3.42Å; E465-R469 PolarHBondContact O-N 3.34Å; A466-R469 PolarHBondContact O-N 2.85Å; R469-K471 PolarHBondContact O-N 3.34Å; R469-N472 PolarHBondContact O-N 2.76Å; R469-K473 WeakPolarHBondContact O-CB 3.47Å; R469-K473 PolarHBondContact O-N 3.32Å
470A86.4Confident81.2Confident53 Ų5398.2 Ų98.244%0.43849%0.489SS..Hα-helixtrans-61-43.8177.600000112.7A466 K468 K473 Q474A466-A470 WeakPolarHBondContact O-CB 3.39Å; A466-A470 PolarHBondContact O-N 3.1Å; K468-A470 PolarHBondContact O-N 3.37Å; A470-K473 PolarHBondContact O-N 3.05Å; A470-Q474 WeakPolarHBondContact O-CG 3.34Å; A470-Q474 PolarHBondContact O-N 3.18Å; A470-Q474 VanDerWaalsContact O-N 3.09Å
471K84.4Confident80.3Confident133 Ų13395.4 Ų95.458%0.57847%0.472SS*.Hα-helixtrans-65.1-42.5176.7-176.7176.3179.3179.10112.3R467 K468 R469 K473 Q474 L475R467-K471 WeakPolarHBondContact O-CB 3.3Å; R467-K471 PolarHBondContact O-N 3.12Å; K468-K471 PolarHBondContact O-N 2.93Å; R469-K471 PolarHBondContact O-N 3.34Å; K471-K473 VanDerWaalsContact C-N 3.34Å; K471-K473 PolarHBondContact O-N 3.26Å; K471-Q474 PolarHBondContact O-N 2.96Å; K471-L475 HydrophobicContact CG-CD1 4.03Å; K471-L475 WeakPolarHBondContact O-CG 3.49Å; K471-L475 PolarHBondContact O-N 3.32Å; K471-L475 VanDerWaalsContact O-N 3.07Å
472N77.2Confident79.7Confident40 Ų4094.1 Ų94.121%0.21447%0.466CS..Hα-helixtrans-63.2-41.4177.7-76.1-8.5000111.3K468 R469 Q474 L475 G476 H477 E479K468-N472 WeakPolarHBondContact O-CB 3.39Å; K468-N472 PolarHBondContact O-N 3.29Å; R469-N472 PolarHBondContact O-N 2.76Å; N472-Q474 PolarHBondContact O-N 3.14Å; N472-L475 PolarHBondContact O-N 2.97Å; N472-G476 PolarHBondContact O-N 3.13Å; N472-H477 HydrophobicContact CB-CB 4.28Å; N472-H477 PolarHBondContact O-N 3.37Å; N472-E479 PolarHBondContact ND2-OE1 3.25Å
473K78.2Confident79.3Confident165 Ų16599.1 Ų99.172%0.71749%0.485SS*.Hα-helixtrans-60.3-43.4174.1-169.2174.3-176.6174.70112.3R469 A470 K471 L475 G476R469-K473 WeakPolarHBondContact O-CB 3.47Å; R469-K473 PolarHBondContact O-N 3.32Å; A470-K473 PolarHBondContact O-N 3.05Å; K471-K473 VanDerWaalsContact C-N 3.34Å; K471-K473 PolarHBondContact O-N 3.26Å; K473-L475 VanDerWaalsContact C-N 3.33Å; K473-L475 PolarHBondContact O-N 3.07Å; K473-G476 PolarHBondContact O-N 3.18Å
474Q75.4Confident78.7Confident170 Ų17098.3 Ų98.379%0.79450%0.503SS*.Hα-helixtrans-64.3-34.4176.5-73.8178.1-3.500113.3A470 K471 N472 G476A470-Q474 WeakPolarHBondContact O-CG 3.34Å; A470-Q474 PolarHBondContact O-N 3.18Å; A470-Q474 VanDerWaalsContact O-N 3.09Å; K471-Q474 PolarHBondContact O-N 2.96Å; N472-Q474 PolarHBondContact O-N 3.14Å; Q474-G476 PolarHBondContact O-N 3.34Å
475L68.7Low78.5Confident98 Ų9898.5 Ų98.551%0.51350%0.501SS..THydrogen-bonded Turntrans-80.92.2178.7-68.3169.6000113.3K471 N472 K473 H477K471-L475 HydrophobicContact CG-CD1 4.03Å; K471-L475 WeakPolarHBondContact O-CG 3.49Å; K471-L475 PolarHBondContact O-N 3.32Å; K471-L475 VanDerWaalsContact O-N 3.07Å; N472-L475 PolarHBondContact O-N 2.97Å; K473-L475 VanDerWaalsContact C-N 3.33Å; K473-L475 PolarHBondContact O-N 3.07Å; L475-H477 HydrophobicContact CB-CB 4.47Å; L475-H477 PolarHBondContact O-CD2 3.37Å; L475-H477 VanDerWaalsContact O-CD2 3.28Å; L475-H477 PolarHBondContact O-N 2.79Å
476G59.5Low78.5Confident61 Ų61100.6 Ų100.663%0.62951%0.513SS*.THydrogen-bonded Turntrans63.218.6-172.800000113N472 K473 Q474 E478N472-G476 PolarHBondContact O-N 3.13Å; K473-G476 PolarHBondContact O-N 3.18Å; Q474-G476 PolarHBondContact O-N 3.34Å; G476-E478 VanDerWaalsContact C-N 3.28Å; G476-E478 PolarHBondContact O-N 3.26Å; G476-E478 VanDerWaalsContact O-N 3.17Å
477H64Low78.7Confident61 Ų6199.1 Ų99.128%0.28250%0.499SS..  trans-86.570.3175.4-70.9-171.4000108.4N472 L475 E479N472-H477 HydrophobicContact CB-CB 4.28Å; N472-H477 PolarHBondContact O-N 3.37Å; L475-H477 HydrophobicContact CB-CB 4.47Å; L475-H477 PolarHBondContact O-CD2 3.37Å; L475-H477 VanDerWaalsContact O-CD2 3.28Å; L475-H477 PolarHBondContact O-N 2.79Å; H477-E479 PolarHBondContact O-N 3.39Å
478E52.9Low78.9Confident148 Ų14893.8 Ų93.869%0.69248%0.484SS*.  trans-69.7112.3168.4-73.6-176.8163.800109G476 R525G476-E478 VanDerWaalsContact C-N 3.28Å; G476-E478 PolarHBondContact O-N 3.26Å; G476-E478 VanDerWaalsContact O-N 3.17Å; E478-R525 PolarHBondContact O-NH1 3.31Å; E478-R525 VanDerWaalsContact O-NH1 3.12Å
479E62.6Low79.3Confident125 Ų12589.3 Ų89.358%0.58447%0.465SS*.SBendtrans-56.7132.2161.8-70.2167.317400107.2N472 H477N472-E479 PolarHBondContact ND2-OE1 3.25Å; H477-E479 PolarHBondContact O-N 3.39Å
480D70Confident79.8Confident85 Ų8586.9 Ų86.946%0.45546%0.459SS..  cis-145.3118.339-89.7-44.7000111A482 F483D480-A482 PolarHBondContact O-N 3.05Å; D480-A482 VanDerWaalsContact O-N 3.12Å; D480-F483 HydrophobicContact CB-CB 3.6Å; D480-F483 PolarHBondContact O-N 2.81Å
481Y79.6Confident80.1Confident26 Ų2685 Ų8510%0.10245%0.445CS..THydrogen-bonded Turntrans-60-24.7174.7174.2-98.9000113.2K485 Y510 F512 E517 W528 L529Y481-K485 WeakPolarHBondContact O-CD 3.45Å; Y481-K485 WeakPolarHBondContact O-CE 3.41Å; Y481-K485 PolarHBondContact O-NZ 2.72Å; Y481-Y510 AromaticContact CD1-CD1 3.72Å; Y481-Y510 HydrophobicContact CD1-CD1 3.72Å; Y481-Y510 AromaticContact CD1-CD2 3.94Å; Y481-Y510 HydrophobicContact CD1-CD2 3.94Å; Y481-Y510 AromaticContact CD1-CE1 3.69Å; Y481-Y510 HydrophobicContact CD1-CE1 3.69Å; Y481-Y510 AromaticContact CD1-CE2 3.9Å; Y481-Y510 HydrophobicContact CD1-CE2 3.9Å; Y481-Y510 AromaticContact CD1-CG 3.85Å; Y481-Y510 HydrophobicContact CD1-CG 3.85Å; Y481-Y510 AromaticContact CD1-CZ 3.77Å; Y481-Y510 HydrophobicContact CE1-CD1 4.38Å; Y481-Y510 HydrophobicContact CE1-CD2 4.15Å; Y481-Y510 HydrophobicContact CE1-CE2 4.46Å; Y481-Y510 HydrophobicContact CE1-CG 4.11Å; Y481-Y510 HydrophobicContact CG-CE1 4.35Å; Y481-F512 HydrophobicContact CE1-CE2 4.02Å; Y481-F512 AromaticContact CE1-CZ 3.79Å; Y481-F512 HydrophobicContact CE1-CZ 3.79Å; Y481-E517 WeakPolarHBondContact CE1-OE2 3.31Å; Y481-E517 PolarHBondContact OH-OE2 3.18Å; Y481-W528 AromaticContact CD1-CH2 3.82Å; Y481-W528 HydrophobicContact CD1-CH2 3.82Å; Y481-W528 HydrophobicContact CD1-CZ3 4.07Å; Y481-W528 HydrophobicContact CD2-CH2 4.17Å; Y481-W528 AromaticContact CD2-CZ3 3.64Å; Y481-W528 HydrophobicContact CD2-CZ3 3.64Å; Y481-W528 AromaticContact CE1-CH2 3.49Å; Y481-W528 HydrophobicContact CE1-CH2 3.49Å; Y481-W528 VanDerWaalsContact CE1-CH2 3.49Å; Y481-W528 AromaticContact CE1-CZ3 3.99Å; Y481-W528 HydrophobicContact CE1-CZ3 3.99Å; Y481-W528 AromaticContact CE2-CH2 3.85Å; Y481-W528 HydrophobicContact CE2-CH2 3.85Å; Y481-W528 AromaticContact CE2-CZ3 3.53Å; Y481-W528 HydrophobicContact CE2-CZ3 3.53Å; Y481-W528 HydrophobicContact CG-CH2 4.15Å; Y481-W528 AromaticContact CG-CZ3 3.9Å; Y481-W528 HydrophobicContact CG-CZ3 3.9Å; Y481-W528 AromaticContact CZ-CH2 3.48Å; Y481-W528 VanDerWaalsContact CZ-CH2 3.48Å; Y481-W528 AromaticContact CZ-CZ3 3.7Å; Y481-L529 HydrophobicContact CD2-CD2 4.17Å; Y481-L529 HydrophobicContact CE2-CD2 3.6Å
482A83.8Confident80.5Confident12 Ų1282.4 Ų82.410%0.09943%0.432CS..THydrogen-bonded Turntrans-76.4-29.5177.400000112.9D480 K485 C487 H490 Y510D480-A482 PolarHBondContact O-N 3.05Å; D480-A482 VanDerWaalsContact O-N 3.12Å; A482-K485 PolarHBondContact O-N 2.7Å; A482-C487 HydrophobicContact CB-CB 3.92Å; A482-H490 WeakPolarHBondContact CB-CD2 3.42Å; A482-Y510 HydrophobicContact CB-CD1 4.35Å; A482-Y510 HydrophobicContact CB-CE1 4.46Å
483F84.4Confident81.4Confident174 Ų17480.5 Ų80.576%0.76342%0.422SS*.THydrogen-bonded Turntrans-71.7143.2-172.8-159-93.1000111.9D480 K485D480-F483 HydrophobicContact CB-CB 3.6Å; D480-F483 PolarHBondContact O-N 2.81Å; F483-K485 VanDerWaalsContact C-N 3.26Å; F483-K485 PolarHBondContact O-N 2.85Å
484G83.8Confident82.1Confident78 Ų7874.2 Ų74.280%0.80440%0.396SS*.THydrogen-bonded Turntrans70.217.9-176.200000114.6
485K90.9Very high82.9Confident91 Ų9167.6 Ų67.640%0.39637%0.365SS..THydrogen-bonded Turntrans-129.4177.7175.8-60.5-176.7-172.5157.30111.5Y481 A482 F483 C487 F512Y481-K485 WeakPolarHBondContact O-CD 3.45Å; Y481-K485 WeakPolarHBondContact O-CE 3.41Å; Y481-K485 PolarHBondContact O-NZ 2.72Å; A482-K485 PolarHBondContact O-N 2.7Å; F483-K485 VanDerWaalsContact C-N 3.26Å; F483-K485 PolarHBondContact O-N 2.85Å; K485-C487 PolarHBondContact O-N 2.81Å; K485-F512 HydrophobicContact CB-CE1 4.07Å; K485-F512 HydrophobicContact CD-CE1 4.03Å; K485-F512 HydrophobicContact CD-CZ 4.22Å
486D92.6Very high83.8Confident94 Ų9464.9 Ų64.950%0.50335%0.351SS..THydrogen-bonded Turntrans-84.934.4172.863.2-23.6000112.8I488 F512 P513D486-I488 PolarHBondContact O-N 3.35Å; D486-F512 WeakPolarHBondContact OD1-CD1 3.35Å; D486-P513 HydrophobicContact CB-CG 4.42Å; D486-P513 WeakPolarHBondContact O-CD 3.31Å
487C94.6Very high84.6Confident28 Ų2862.7 Ų62.719%0.18933%0.328CS..  trans-69.2126.3177.4-169.30000109.7A482 K485 L511 F512A482-C487 HydrophobicContact CB-CB 3.92Å; K485-C487 PolarHBondContact O-N 2.81Å; C487-L511 PolarHBondContact SG-O 3.12Å; C487-L511 VanDerWaalsContact SG-O 3.33Å; C487-F512 HydrophobicContact CB-CD1 4.16Å; C487-F512 HydrophobicContact CB-CE1 3.68Å; C487-F512 HydrophobicContact CB-CZ 4.13Å
488I96.1Very high84.7Confident73 Ų7365.1 Ų65.137%0.37434%0.343SS..  trans-80-49.2179.9-62.5170.5000110D486 L511 P513 A591D486-I488 PolarHBondContact O-N 3.35Å; I488-L511 HydrophobicContact CB-CD2 4.36Å; I488-L511 HydrophobicContact CB-CG 4.22Å; I488-L511 HydrophobicContact CD1-CG 4.35Å; I488-L511 HydrophobicContact CG2-CD2 4.26Å; I488-L511 PolarHBondContact N-O 3.3Å; I488-P513 HydrophobicContact CD1-CB 4.49Å; I488-P513 HydrophobicContact CD1-CG 4.1Å; I488-P513 HydrophobicContact CG1-CG 4.35Å; I488-A591 HydrophobicContact CD1-CB 4.22Å
489M96.1Very high84.6Confident36 Ų3663.5 Ų63.518%0.17735%0.345CS..EExtended strand (participates in β ladder)trans-158151.3-176.8-170.2172.863.500110.5L511 Q583 W584 E587M489-L511 WeakPolarHBondContact O-CB 3.42Å; M489-L511 PolarHBondContact O-N 2.82Å; M489-Q583 HydrophobicContact CE-CG 4.28Å; M489-Q583 HydrophobicContact SD-CG 3.55Å; M489-Q583 VanDerWaalsContact SD-CG 3.55Å; M489-W584 HydrophobicContact CE-CB 4.18Å; M489-W584 HydrophobicContact CE-CD2 3.16Å; M489-W584 VanDerWaalsContact CE-CE2 3.47Å; M489-W584 HydrophobicContact CE-CE3 3.36Å; M489-W584 HydrophobicContact CE-CG 3.56Å; M489-W584 HydrophobicContact CE-CH2 4.08Å; M489-W584 HydrophobicContact CE-CZ2 3.92Å; M489-W584 HydrophobicContact CE-CZ3 3.83Å; M489-W584 HydrophobicContact CG-CZ2 4.49Å; M489-E587 HydrophobicContact CE-CB 4.19Å; M489-E587 HydrophobicContact CE-CG 4.17Å; M489-E587 HydrophobicContact SD-CG 4.38Å
490H94.6Very high84.3Confident73 Ų7366.6 Ų66.634%0.33836%0.357SS..EExtended strand (participates in β ladder)trans-147154.717559.171.5000111.5A482 Y508 F509 Y510A482-H490 WeakPolarHBondContact CB-CD2 3.42Å; H490-Y508 HydrophobicContact CB-CE1 4Å; H490-Y508 AromaticContact ND1-CE1 3.96Å; H490-Y508 AromaticContact ND1-CZ 3.77Å; H490-Y508 PolarHBondContact ND1-OH 2.94Å; H490-F509 CarbonylContact C-O 3.59Å; H490-F509 WeakPolarHBondContact CA-O 3.48Å; H490-F509 WeakPolarHBondContact CB-O 3.47Å; H490-Y510 HydrophobicContact CB-CD1 3.55Å; H490-Y510 HydrophobicContact CB-CE1 4.06Å; H490-Y510 HydrophobicContact CB-CG 4.28Å
491G92.8Very high83.7Confident14 Ų1467.5 Ų67.514%0.14436%0.361CS..EExtended strand (participates in β ladder)trans168175.8-176.400000112.9F509G491-F509 PolarHBondContact N-O 2.95Å; G491-F509 PolarHBondContact O-N 3.12Å
492Y93.5Very high83Confident78 Ų7872.1 Ų72.131%0.30639%0.392SS..EExtended strand (participates in β ladder)trans-79.6140.6176.4-72.7-80.4000111R506 R507 Y508Y492-R506 HydrophobicContact CD1-CG 4.18Å; Y492-R507 WeakPolarHBondContact CA-O 3.38Å; Y492-Y508 AromaticContact CD1-CD2 3.82Å; Y492-Y508 HydrophobicContact CD1-CD2 3.82Å; Y492-Y508 AromaticContact CD2-CD2 3.64Å; Y492-Y508 HydrophobicContact CD2-CD2 3.64Å; Y492-Y508 AromaticContact CD2-CE2 3.86Å; Y492-Y508 HydrophobicContact CD2-CE2 3.86Å; Y492-Y508 AromaticContact CE1-CD2 3.65Å; Y492-Y508 HydrophobicContact CE1-CD2 3.65Å; Y492-Y508 HydrophobicContact CE1-CG 4.37Å; Y492-Y508 AromaticContact CE2-CD2 3.45Å; Y492-Y508 HydrophobicContact CE2-CD2 3.45Å; Y492-Y508 VanDerWaalsContact CE2-CD2 3.45Å; Y492-Y508 AromaticContact CE2-CE2 3.64Å; Y492-Y508 HydrophobicContact CE2-CE2 3.64Å; Y492-Y508 AromaticContact CG-CD2 3.83Å; Y492-Y508 HydrophobicContact CG-CD2 3.83Å; Y492-Y508 HydrophobicContact CG-CE2 4.44Å; Y492-Y508 AromaticContact CZ-CD2 3.45Å; Y492-Y508 VanDerWaalsContact CZ-CD2 3.45Å
493M95.1Very high83.1Confident0 Ų078 Ų780%042%0.418CS..EExtended strand (participates in β ladder)trans-143.4158163.5-68.3-177-7800109R507 F509 L573 W584M493-R507 PolarHBondContact N-O 3.42Å; M493-R507 PolarHBondContact O-N 3.1Å; M493-R507 VanDerWaalsContact O-O 3.11Å; M493-F509 HydrophobicContact CB-CD2 3.74Å; M493-F509 HydrophobicContact CB-CE2 3.7Å; M493-F509 HydrophobicContact CE-CB 3.65Å; M493-F509 HydrophobicContact CE-CD1 3.77Å; M493-F509 HydrophobicContact CE-CD2 3.65Å; M493-F509 HydrophobicContact CE-CE1 4.31Å; M493-F509 HydrophobicContact CE-CE2 4.19Å; M493-F509 HydrophobicContact CE-CG 3.41Å; M493-F509 VanDerWaalsContact CE-CG 3.41Å; M493-F509 HydrophobicContact CE-CZ 4.5Å; M493-F509 HydrophobicContact CG-CD2 4.37Å; M493-L573 HydrophobicContact CE-CD1 4.13Å; M493-L573 HydrophobicContact SD-CB 4.31Å; M493-L573 HydrophobicContact SD-CD1 4.23Å; M493-W584 HydrophobicContact CE-CD2 3.51Å; M493-W584 HydrophobicContact CE-CE3 3.49Å; M493-W584 VanDerWaalsContact CE-CE3 3.49Å; M493-W584 HydrophobicContact CE-CG 4.22Å; M493-W584 HydrophobicContact CE-CH2 3.81Å; M493-W584 HydrophobicContact CE-CZ2 3.81Å; M493-W584 HydrophobicContact CE-CZ3 3.63Å; M493-W584 HydrophobicContact CG-CD2 4.48Å; M493-W584 HydrophobicContact CG-CG 4.5Å; M493-W584 HydrophobicContact SD-CB 4.22Å; M493-W584 HydrophobicContact SD-CD2 3.59Å; M493-W584 VanDerWaalsContact SD-CD2 3.59Å; M493-W584 HydrophobicContact SD-CE3 4.09Å; M493-W584 HydrophobicContact SD-CG 3.63Å
494L93.9Very high83.3Confident34 Ų3473 Ų7318%0.17839%0.394CS..EExtended strand (participates in β ladder)trans-91.1125.5170.2-64.8166.4000109W504 R506 L573 Q574L494-W504 HydrophobicContact CB-CB 4.43Å; L494-W504 HydrophobicContact CB-CD2 4.38Å; L494-W504 HydrophobicContact CB-CE3 3.73Å; L494-W504 HydrophobicContact CB-CZ3 4.37Å; L494-W504 HydrophobicContact CD2-CB 4.37Å; L494-R506 HydrophobicContact CD2-CB 3.79Å; L494-R506 HydrophobicContact CD2-CG 4.12Å; L494-L573 CarbonylContact O-C 3.6Å; L494-L573 WeakPolarHBondContact O-CA 3.12Å; L494-Q574 HydrophobicContact CB-CB 4.15Å; L494-Q574 PolarHBondContact N-O 3.17Å; L494-Q574 PolarHBondContact O-N 3.37Å
495K91.6Very high83.6Confident31 Ų3172.5 Ų72.514%0.13537%0.371CS..EExtended strand (participates in β ladder)trans-102.6128.4173.9-175.8-171.6168.8-65.40109.7Q505 F509 W518 F571 L573K495-Q505 PolarHBondContact N-O 3.49Å; K495-Q505 PolarHBondContact O-N 3.35Å; K495-F509 HydrophobicContact CB-CZ 4.17Å; K495-W518 HydrophobicContact CD-CZ2 4.49Å; K495-F571 HydrophobicContact CD-CD1 4.4Å; K495-F571 VanDerWaalsContact CE-CE1 3.47Å; K495-L573 HydrophobicContact CB-CD2 4.09Å; K495-L573 HydrophobicContact CG-CD2 4.03Å
496L88.1Confident83.7Confident41 Ų4171.5 Ų71.522%0.21536%0.364CS..EExtended strand (participates in β ladder)trans-68.8137.1171.9-16562.3000110W504 V572L496-W504 HydrophobicContact CB-CE3 4Å; L496-W504 HydrophobicContact CB-CH2 4.06Å; L496-W504 HydrophobicContact CB-CZ3 3.76Å; L496-W504 HydrophobicContact CD1-CD2 3.88Å; L496-W504 HydrophobicContact CD1-CE3 4.23Å; L496-W504 HydrophobicContact CD1-CG 4.34Å; L496-W504 HydrophobicContact CD1-CH2 4.39Å; L496-W504 HydrophobicContact CD1-CZ2 4.03Å; L496-W504 HydrophobicContact CD1-CZ3 4.47Å; L496-V572 HydrophobicContact CB-CB 3.89Å; L496-V572 HydrophobicContact CD2-CB 4.15Å; L496-V572 HydrophobicContact CD2-CG2 4.18Å; L496-V572 PolarHBondContact N-O 2.9Å
497G75.5Confident83.6Confident15 Ų1569.7 Ų69.716%0.15535%0.35CS..  trans-61.3-177173.900000113.4L501 Q503G497-L501 CarbonylContact C-O 3.48Å; G497-L501 WeakPolarHBondContact CA-O 3.39Å; G497-Q503 PolarHBondContact N-O 3.25Å; G497-Q503 VanDerWaalsContact N-O 3.1Å
498N65.3Low83.4Confident112 Ų11270.1 Ų70.160%0.59935%0.349SS*.  trans-59.2159.8173.7-135.91.7000110F500 L501N498-F500 PolarHBondContact O-N 3.49Å; N498-L501 CarbonylContact O-C 3.36Å; N498-L501 VanDerWaalsContact O-C 3.3Å; N498-L501 WeakPolarHBondContact O-CA 3.08Å; N498-L501 PolarHBondContact O-N 2.96Å
499P52.1Low83.3Confident113 Ų11366.8 Ų66.873%0.73433%0.331SS*.THydrogen-bonded Turntrans-53.5-22.8-175.9-28.134.9000115.8
500F56.9Low83.2Confident191 Ų19165.7 Ų65.784%0.83833%0.325SS*.THydrogen-bonded Turntrans-88.2-19175.7-56.1-78.4000113.9N498N498-F500 PolarHBondContact O-N 3.49Å
501L56.6Low83.3Confident103 Ų10362.2 Ų62.254%0.53931%0.309SS..  trans-107.492.1177.4-67.3169.7000108.3G497 N498 Q503G497-L501 CarbonylContact C-O 3.48Å; G497-L501 WeakPolarHBondContact CA-O 3.39Å; N498-L501 CarbonylContact O-C 3.36Å; N498-L501 VanDerWaalsContact O-C 3.3Å; N498-L501 WeakPolarHBondContact O-CA 3.08Å; N498-L501 PolarHBondContact O-N 2.96Å; L501-Q503 PolarHBondContact O-N 3.45Å
502T65.9Low83.4Confident123 Ų12361.5 Ų61.576%0.75530%0.302SS*.  trans-70.311.8177.353.40000113.8
503Q84.6Confident83.5Confident135 Ų13560.5 Ų60.563%0.63131%0.305SS*.  trans-89.5128-174.1-164.5178.216.500111.4G497 L501G497-Q503 PolarHBondContact N-O 3.25Å; G497-Q503 VanDerWaalsContact N-O 3.1Å; L501-Q503 PolarHBondContact O-N 3.45Å
504W89.8Confident83.4Confident71 Ų7164.6 Ų64.627%0.26933%0.327SS..EExtended strand (participates in β ladder)trans-72.5133.7169.6-69.2103.2000110.7L494 L496 V555 V572 Q574L494-W504 HydrophobicContact CB-CB 4.43Å; L494-W504 HydrophobicContact CB-CD2 4.38Å; L494-W504 HydrophobicContact CB-CE3 3.73Å; L494-W504 HydrophobicContact CB-CZ3 4.37Å; L494-W504 HydrophobicContact CD2-CB 4.37Å; L496-W504 HydrophobicContact CB-CE3 4Å; L496-W504 HydrophobicContact CB-CH2 4.06Å; L496-W504 HydrophobicContact CB-CZ3 3.76Å; L496-W504 HydrophobicContact CD1-CD2 3.88Å; L496-W504 HydrophobicContact CD1-CE3 4.23Å; L496-W504 HydrophobicContact CD1-CG 4.34Å; L496-W504 HydrophobicContact CD1-CH2 4.39Å; L496-W504 HydrophobicContact CD1-CZ2 4.03Å; L496-W504 HydrophobicContact CD1-CZ3 4.47Å; W504-V555 HydrophobicContact CZ2-CB 4.4Å; W504-V555 HydrophobicContact CZ2-CG1 4.17Å; W504-V572 HydrophobicContact CH2-CG1 3.88Å; W504-V572 HydrophobicContact CZ3-CG1 4.49Å; W504-Q574 HydrophobicContact CE3-CB 4.24Å; W504-Q574 HydrophobicContact CH2-CB 3.7Å; W504-Q574 HydrophobicContact CZ2-CB 4.38Å; W504-Q574 HydrophobicContact CZ3-CB 3.62Å
505Q90.1Very high83.4Confident66 Ų6665.4 Ų65.431%0.30833%0.328SS..EExtended strand (participates in β ladder)trans-116.7118.6177.2-63-173.2-1200109.9K495 R507K495-Q505 PolarHBondContact N-O 3.49Å; K495-Q505 PolarHBondContact O-N 3.35Å; Q505-R507 PolarHBondContact O-N 3.06Å
506R91.3Very high83.5Confident70 Ų7064 Ų6426%0.26432%0.322SS..EExtended strand (participates in β ladder)trans-71.1127.4172.9-159.7172.2-174.1-110.3-2.3110Y492 L494 E521 E576Y492-R506 HydrophobicContact CD1-CG 4.18Å; L494-R506 HydrophobicContact CD2-CB 3.79Å; L494-R506 HydrophobicContact CD2-CG 4.12Å; R506-E521 IonicContact NH1-OE1 3.19Å; R506-E521 PolarHBondContact NH1-OE1 3.25Å; R506-E576 IonicContact CZ-OE1 2.78Å; R506-E576 IonicContact CZ-OE2 3.59Å; R506-E576 IonicContact NE-OE1 2.94Å; R506-E576 PolarHBondContact NE-OE1 3.48Å; R506-E576 IonicContact NE-OE2 3.24Å; R506-E576 IonicContact NH2-OE1 3.03Å; R506-E576 PolarHBondContact NH2-OE1 3.25Å; R506-E576 IonicContact NH2-OE2 4Å; R506-E576 PolarHBondContact NH2-OE2 3.23Å
507R90.8Very high83.8Confident56 Ų5662.5 Ų62.521%0.21131%0.314CS..EExtended strand (participates in β ladder)trans-140.4151.6-177.9-59.8-66.5176-122.18.8109.3Y492 M493 Q505 F509 W518 R519Y492-R507 WeakPolarHBondContact CA-O 3.38Å; M493-R507 PolarHBondContact N-O 3.42Å; M493-R507 PolarHBondContact O-N 3.1Å; M493-R507 VanDerWaalsContact O-O 3.11Å; Q505-R507 PolarHBondContact O-N 3.06Å; R507-F509 HydrophobicContact CB-CD2 4.15Å; R507-F509 HydrophobicContact CB-CE2 3.62Å; R507-F509 HydrophobicContact CB-CZ 4.23Å; R507-W518 HydrophobicContact CB-CB 4.2Å; R507-R519 WeakPolarHBondContact CA-O 3.48Å; R507-R519 WeakPolarHBondContact CB-O 3.45Å; R507-R519 VanDerWaalsContact CD-O 3.28Å; R507-R519 WeakPolarHBondContact CD-O 3.45Å
508Y90.9Very high84.5Confident38 Ų3862.4 Ų62.415%0.14931%0.308CS..EExtended strand (participates in β ladder)trans-99.2119.4173-163.2-84.6000108.9H490 Y492 Y510 W518 R519H490-Y508 HydrophobicContact CB-CE1 4Å; H490-Y508 AromaticContact ND1-CE1 3.96Å; H490-Y508 AromaticContact ND1-CZ 3.77Å; H490-Y508 PolarHBondContact ND1-OH 2.94Å; Y492-Y508 AromaticContact CD1-CD2 3.82Å; Y492-Y508 HydrophobicContact CD1-CD2 3.82Å; Y492-Y508 AromaticContact CD2-CD2 3.64Å; Y492-Y508 HydrophobicContact CD2-CD2 3.64Å; Y492-Y508 AromaticContact CD2-CE2 3.86Å; Y492-Y508 HydrophobicContact CD2-CE2 3.86Å; Y492-Y508 AromaticContact CE1-CD2 3.65Å; Y492-Y508 HydrophobicContact CE1-CD2 3.65Å; Y492-Y508 HydrophobicContact CE1-CG 4.37Å; Y492-Y508 AromaticContact CE2-CD2 3.45Å; Y492-Y508 HydrophobicContact CE2-CD2 3.45Å; Y492-Y508 VanDerWaalsContact CE2-CD2 3.45Å; Y492-Y508 AromaticContact CE2-CE2 3.64Å; Y492-Y508 HydrophobicContact CE2-CE2 3.64Å; Y492-Y508 AromaticContact CG-CD2 3.83Å; Y492-Y508 HydrophobicContact CG-CD2 3.83Å; Y492-Y508 HydrophobicContact CG-CE2 4.44Å; Y492-Y508 AromaticContact CZ-CD2 3.45Å; Y492-Y508 VanDerWaalsContact CZ-CD2 3.45Å; Y508-Y510 HydrophobicContact CD1-CD2 4.42Å; Y508-Y510 AromaticContact CD1-CE1 3.88Å; Y508-Y510 HydrophobicContact CD1-CE1 3.88Å; Y508-Y510 AromaticContact CD1-CE2 3.74Å; Y508-Y510 HydrophobicContact CD1-CE2 3.74Å; Y508-Y510 AromaticContact CD1-CZ 3.43Å; Y508-Y510 VanDerWaalsContact CD1-CZ 3.43Å; Y508-Y510 WeakPolarHBondContact CD1-OH 3.47Å; Y508-Y510 HydrophobicContact CE1-CD1 4.31Å; Y508-Y510 AromaticContact CE1-CE1 3.58Å; Y508-Y510 HydrophobicContact CE1-CE1 3.58Å; Y508-Y510 HydrophobicContact CE1-CE2 4.31Å; Y508-Y510 AromaticContact CE1-CZ 3.58Å; Y508-W518 CarbonylContact O-C 3.54Å; Y508-W518 VanDerWaalsContact O-CA 3.24Å; Y508-W518 WeakPolarHBondContact O-CA 3.28Å; Y508-R519 PolarHBondContact N-O 2.87Å; Y508-R519 VanDerWaalsContact N-O 3.13Å; Y508-R519 PolarHBondContact O-N 3.4Å
509F93.7Very high85.5Confident3 Ų360.1 Ų60.11%0.01329%0.292CS..EExtended strand (participates in β ladder)trans-100.3150.3-173.7-74.9-99.4000111.9H490 G491 M493 K495 R507 V516 E517 W518 L573 W584H490-F509 CarbonylContact C-O 3.59Å; H490-F509 WeakPolarHBondContact CA-O 3.48Å; H490-F509 WeakPolarHBondContact CB-O 3.47Å; G491-F509 PolarHBondContact N-O 2.95Å; G491-F509 PolarHBondContact O-N 3.12Å; M493-F509 HydrophobicContact CB-CD2 3.74Å; M493-F509 HydrophobicContact CB-CE2 3.7Å; M493-F509 HydrophobicContact CE-CB 3.65Å; M493-F509 HydrophobicContact CE-CD1 3.77Å; M493-F509 HydrophobicContact CE-CD2 3.65Å; M493-F509 HydrophobicContact CE-CE1 4.31Å; M493-F509 HydrophobicContact CE-CE2 4.19Å; M493-F509 HydrophobicContact CE-CG 3.41Å; M493-F509 VanDerWaalsContact CE-CG 3.41Å; M493-F509 HydrophobicContact CE-CZ 4.5Å; M493-F509 HydrophobicContact CG-CD2 4.37Å; K495-F509 HydrophobicContact CB-CZ 4.17Å; R507-F509 HydrophobicContact CB-CD2 4.15Å; R507-F509 HydrophobicContact CB-CE2 3.62Å; R507-F509 HydrophobicContact CB-CZ 4.23Å; F509-V516 HydrophobicContact CD1-CG2 3.81Å; F509-E517 CarbonylContact C-O 3.52Å; F509-E517 VanDerWaalsContact CA-O 3.25Å; F509-E517 WeakPolarHBondContact CA-O 3.2Å; F509-W518 HydrophobicContact CD1-CB 3.65Å; F509-W518 HydrophobicContact CD1-CD2 4.49Å; F509-W518 HydrophobicContact CD1-CE3 4.15Å; F509-W518 HydrophobicContact CD1-CG 4.36Å; F509-W518 HydrophobicContact CD2-CB 4.27Å; F509-W518 HydrophobicContact CE1-CB 3.67Å; F509-W518 AromaticContact CE1-CD2 3.89Å; F509-W518 HydrophobicContact CE1-CD2 3.89Å; F509-W518 AromaticContact CE1-CE3 3.7Å; F509-W518 HydrophobicContact CE1-CE3 3.7Å; F509-W518 AromaticContact CE1-CG 3.94Å; F509-W518 HydrophobicContact CE1-CG 3.94Å; F509-W518 HydrophobicContact CE2-CB 4.3Å; F509-W518 HydrophobicContact CG-CB 3.96Å; F509-W518 HydrophobicContact CZ-CB 4.01Å; F509-W518 HydrophobicContact CZ-CD2 4.44Å; F509-W518 HydrophobicContact CZ-CG 4.21Å; F509-L573 HydrophobicContact CE1-CD2 4.09Å; F509-L573 HydrophobicContact CZ-CD2 3.7Å; F509-W584 HydrophobicContact CB-CH2 3.77Å; F509-W584 HydrophobicContact CB-CZ2 4.2Å; F509-W584 HydrophobicContact CB-CZ3 4.42Å
510Y94.8Very high86.8Confident12 Ų1255.4 Ų55.45%0.04726%0.263CS..EExtended strand (participates in β ladder)trans-131121.1171-55.1-90000108.8Y481 A482 H490 Y508 V516 E517 R519 W528Y481-Y510 AromaticContact CD1-CD1 3.72Å; Y481-Y510 HydrophobicContact CD1-CD1 3.72Å; Y481-Y510 AromaticContact CD1-CD2 3.94Å; Y481-Y510 HydrophobicContact CD1-CD2 3.94Å; Y481-Y510 AromaticContact CD1-CE1 3.69Å; Y481-Y510 HydrophobicContact CD1-CE1 3.69Å; Y481-Y510 AromaticContact CD1-CE2 3.9Å; Y481-Y510 HydrophobicContact CD1-CE2 3.9Å; Y481-Y510 AromaticContact CD1-CG 3.85Å; Y481-Y510 HydrophobicContact CD1-CG 3.85Å; Y481-Y510 AromaticContact CD1-CZ 3.77Å; Y481-Y510 HydrophobicContact CE1-CD1 4.38Å; Y481-Y510 HydrophobicContact CE1-CD2 4.15Å; Y481-Y510 HydrophobicContact CE1-CE2 4.46Å; Y481-Y510 HydrophobicContact CE1-CG 4.11Å; Y481-Y510 HydrophobicContact CG-CE1 4.35Å; A482-Y510 HydrophobicContact CB-CD1 4.35Å; A482-Y510 HydrophobicContact CB-CE1 4.46Å; H490-Y510 HydrophobicContact CB-CD1 3.55Å; H490-Y510 HydrophobicContact CB-CE1 4.06Å; H490-Y510 HydrophobicContact CB-CG 4.28Å; Y508-Y510 HydrophobicContact CD1-CD2 4.42Å; Y508-Y510 AromaticContact CD1-CE1 3.88Å; Y508-Y510 HydrophobicContact CD1-CE1 3.88Å; Y508-Y510 AromaticContact CD1-CE2 3.74Å; Y508-Y510 HydrophobicContact CD1-CE2 3.74Å; Y508-Y510 AromaticContact CD1-CZ 3.43Å; Y508-Y510 VanDerWaalsContact CD1-CZ 3.43Å; Y508-Y510 WeakPolarHBondContact CD1-OH 3.47Å; Y508-Y510 HydrophobicContact CE1-CD1 4.31Å; Y508-Y510 AromaticContact CE1-CE1 3.58Å; Y508-Y510 HydrophobicContact CE1-CE1 3.58Å; Y508-Y510 HydrophobicContact CE1-CE2 4.31Å; Y508-Y510 AromaticContact CE1-CZ 3.58Å; Y510-V516 WeakPolarHBondContact O-CA 3.28Å; Y510-E517 PolarHBondContact N-O 3.16Å; Y510-E517 PolarHBondContact O-N 3.12Å; Y510-R519 HydrophobicContact CE2-CG 4.33Å; Y510-R519 PolarHBondContact OH-NE 3.4Å; Y510-W528 HydrophobicContact CD2-CH2 4.09Å; Y510-W528 HydrophobicContact CD2-CZ2 4.3Å; Y510-W528 AromaticContact CE2-CH2 3.9Å; Y510-W528 HydrophobicContact CE2-CH2 3.9Å; Y510-W528 HydrophobicContact CE2-CZ2 4.23Å
511L96.4Very high87.4Confident0 Ų052 Ų520%025%0.25CC..EExtended strand (participates in β ladder)trans-94.5129.2174.4-176.858.6000109.8C487 I488 M489 V516 M544 W584 E587 L588 A591C487-L511 PolarHBondContact SG-O 3.12Å; C487-L511 VanDerWaalsContact SG-O 3.33Å; I488-L511 HydrophobicContact CB-CD2 4.36Å; I488-L511 HydrophobicContact CB-CG 4.22Å; I488-L511 HydrophobicContact CD1-CG 4.35Å; I488-L511 HydrophobicContact CG2-CD2 4.26Å; I488-L511 PolarHBondContact N-O 3.3Å; M489-L511 WeakPolarHBondContact O-CB 3.42Å; M489-L511 PolarHBondContact O-N 2.82Å; L511-V516 HydrophobicContact CD1-CB 4.35Å; L511-M544 HydrophobicContact CD1-CE 3.31Å; L511-W584 HydrophobicContact CB-CH2 4.42Å; L511-W584 HydrophobicContact CB-CZ3 3.93Å; L511-W584 HydrophobicContact CD2-CZ3 4.49Å; L511-E587 HydrophobicContact CD2-CB 3.64Å; L511-L588 HydrophobicContact CD1-CD2 3.83Å; L511-A591 HydrophobicContact CD1-CB 4.27Å
512F95.6Very high87.8Confident0 Ų051.2 Ų51.20%027%0.266CS..EExtended strand (participates in β ladder)trans-124.5162.6172.7-65.2-86.6000109.2Y481 K485 D486 C487 N514 R515 E517Y481-F512 HydrophobicContact CE1-CE2 4.02Å; Y481-F512 AromaticContact CE1-CZ 3.79Å; Y481-F512 HydrophobicContact CE1-CZ 3.79Å; K485-F512 HydrophobicContact CB-CE1 4.07Å; K485-F512 HydrophobicContact CD-CE1 4.03Å; K485-F512 HydrophobicContact CD-CZ 4.22Å; D486-F512 WeakPolarHBondContact OD1-CD1 3.35Å; C487-F512 HydrophobicContact CB-CD1 4.16Å; C487-F512 HydrophobicContact CB-CE1 3.68Å; C487-F512 HydrophobicContact CB-CZ 4.13Å; F512-N514 PolarHBondContact O-N 2.64Å; F512-R515 HydrophobicContact CB-CG 4.08Å; F512-R515 HydrophobicContact CD2-CG 4.25Å; F512-R515 PolarHBondContact N-O 3.48Å; F512-R515 PolarHBondContact O-N 3.04Å; F512-E517 HydrophobicContact CE2-CG 4.42Å
513P95Very high88.1Confident57 Ų5747.2 Ų47.237%0.3724%0.239SC..THydrogen-bonded Turntrans-54.1-30.4-178.3-29.234.4000114.7D486 I488D486-P513 HydrophobicContact CB-CG 4.42Å; D486-P513 WeakPolarHBondContact O-CD 3.31Å; I488-P513 HydrophobicContact CD1-CB 4.49Å; I488-P513 HydrophobicContact CD1-CG 4.1Å; I488-P513 HydrophobicContact CG1-CG 4.35Å
514N92.5Very high87.3Confident86 Ų8642.8 Ų42.846%0.4622%0.223SC..THydrogen-bonded Turntrans-113-4-175.868.8-11.8000114.8F512 M544F512-N514 PolarHBondContact O-N 2.64Å; N514-M544 VanDerWaalsContact C-CG 3.43Å; N514-M544 PolarHBondContact O-N 3.48Å
515R93.7Very high86.5Confident51 Ų5144.4 Ų44.419%0.19223%0.229CC..EExtended strand (participates in β ladder)trans-165.6161.1-174.269.8-154.1-172.3-81.2-8.8114F512 E517 L541 L542F512-R515 HydrophobicContact CB-CG 4.08Å; F512-R515 HydrophobicContact CD2-CG 4.25Å; F512-R515 PolarHBondContact N-O 3.48Å; F512-R515 PolarHBondContact O-N 3.04Å; R515-E517 HydrophobicContact CG-CG 4.43Å; R515-E517 IonicContact CZ-OE1 2.71Å; R515-E517 VanDerWaalsContact CZ-OE1 3.25Å; R515-E517 IonicContact NE-OE1 2.82Å; R515-E517 PolarHBondContact NE-OE1 3.28Å; R515-E517 IonicContact NH2-OE1 3.04Å; R515-E517 PolarHBondContact NH2-OE1 3.06Å; R515-L541 HydrophobicContact CB-CD1 3.64Å; R515-L541 HydrophobicContact CG-CD1 3.64Å; R515-L542 CarbonylContact C-O 3.6Å; R515-L542 WeakPolarHBondContact CA-O 3.29Å; R515-L542 WeakPolarHBondContact CB-O 3.33Å
516V94.9Very high85.6Confident2 Ų247.1 Ų47.11%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-117.2127.1167.4610000109.5F509 Y510 L511 W518 L541 L542F509-V516 HydrophobicContact CD1-CG2 3.81Å; Y510-V516 WeakPolarHBondContact O-CA 3.28Å; L511-V516 HydrophobicContact CD1-CB 4.35Å; V516-W518 HydrophobicContact CG1-CZ3 4.46Å; V516-L541 CarbonylContact O-C 3.51Å; V516-L541 WeakPolarHBondContact O-CA 3.24Å; V516-L542 HydrophobicContact CG1-CB 3.77Å; V516-L542 HydrophobicContact CG1-CD2 4.42Å; V516-L542 PolarHBondContact N-O 3.19Å; V516-L542 PolarHBondContact O-N 2.7Å
517E93.3Very high84.8Confident8 Ų850.1 Ų50.14%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-111153.2179.1-71.4173-166.600110.1Y481 F509 Y510 F512 R515 W528 L532 L541Y481-E517 WeakPolarHBondContact CE1-OE2 3.31Å; Y481-E517 PolarHBondContact OH-OE2 3.18Å; F509-E517 CarbonylContact C-O 3.52Å; F509-E517 VanDerWaalsContact CA-O 3.25Å; F509-E517 WeakPolarHBondContact CA-O 3.2Å; Y510-E517 PolarHBondContact N-O 3.16Å; Y510-E517 PolarHBondContact O-N 3.12Å; F512-E517 HydrophobicContact CE2-CG 4.42Å; R515-E517 HydrophobicContact CG-CG 4.43Å; R515-E517 IonicContact CZ-OE1 2.71Å; R515-E517 VanDerWaalsContact CZ-OE1 3.25Å; R515-E517 IonicContact NE-OE1 2.82Å; R515-E517 PolarHBondContact NE-OE1 3.28Å; R515-E517 IonicContact NH2-OE1 3.04Å; R515-E517 PolarHBondContact NH2-OE1 3.06Å; E517-W528 HydrophobicContact CB-CZ2 4.38Å; E517-L532 HydrophobicContact CG-CD2 4.4Å; E517-L541 HydrophobicContact CB-CD1 4.48Å; E517-L541 HydrophobicContact CG-CD1 3.34Å
518W90.4Very high84.1Confident13 Ų1347.6 Ų47.65%0.04925%0.248CC..EExtended strand (participates in β ladder)trans-145.1152.2170.959.886.4000113.5K495 R507 Y508 F509 V516 W528 Q539 N540 L542 F571K495-W518 HydrophobicContact CD-CZ2 4.49Å; R507-W518 HydrophobicContact CB-CB 4.2Å; Y508-W518 CarbonylContact O-C 3.54Å; Y508-W518 VanDerWaalsContact O-CA 3.24Å; Y508-W518 WeakPolarHBondContact O-CA 3.28Å; F509-W518 HydrophobicContact CD1-CB 3.65Å; F509-W518 HydrophobicContact CD1-CD2 4.49Å; F509-W518 HydrophobicContact CD1-CE3 4.15Å; F509-W518 HydrophobicContact CD1-CG 4.36Å; F509-W518 HydrophobicContact CD2-CB 4.27Å; F509-W518 HydrophobicContact CE1-CB 3.67Å; F509-W518 AromaticContact CE1-CD2 3.89Å; F509-W518 HydrophobicContact CE1-CD2 3.89Å; F509-W518 AromaticContact CE1-CE3 3.7Å; F509-W518 HydrophobicContact CE1-CE3 3.7Å; F509-W518 AromaticContact CE1-CG 3.94Å; F509-W518 HydrophobicContact CE1-CG 3.94Å; F509-W518 HydrophobicContact CE2-CB 4.3Å; F509-W518 HydrophobicContact CG-CB 3.96Å; F509-W518 HydrophobicContact CZ-CB 4.01Å; F509-W518 HydrophobicContact CZ-CD2 4.44Å; F509-W518 HydrophobicContact CZ-CG 4.21Å; V516-W518 HydrophobicContact CG1-CZ3 4.46Å; W518-W528 PolarHBondContact O-NE1 3.39Å; W518-Q539 WeakPolarHBondContact CZ2-O 3.38Å; W518-N540 PolarHBondContact N-O 3.46Å; W518-N540 PolarHBondContact NE1-OD1 3.44Å; W518-N540 WeakPolarHBondContact O-CB 3.11Å; W518-L542 HydrophobicContact CH2-CB 4.24Å; W518-L542 HydrophobicContact CZ3-CB 3.96Å; W518-F571 HydrophobicContact CH2-CD1 4.43Å; W518-F571 AromaticContact CH2-CE1 3.91Å; W518-F571 HydrophobicContact CH2-CE1 3.91Å; W518-F571 HydrophobicContact CZ2-CE1 4.14Å
519R86.4Confident83.4Confident65 Ų6547.9 Ų47.925%0.24525%0.252CS..EExtended strand (participates in β ladder)trans-118.4149.817562.4172-179.7151.8-0.8112.5R507 Y508 Y510 W528R507-R519 WeakPolarHBondContact CA-O 3.48Å; R507-R519 WeakPolarHBondContact CB-O 3.45Å; R507-R519 VanDerWaalsContact CD-O 3.28Å; R507-R519 WeakPolarHBondContact CD-O 3.45Å; Y508-R519 PolarHBondContact N-O 2.87Å; Y508-R519 VanDerWaalsContact N-O 3.13Å; Y508-R519 PolarHBondContact O-N 3.4Å; Y510-R519 HydrophobicContact CE2-CG 4.33Å; Y510-R519 PolarHBondContact OH-NE 3.4Å; R519-W528 HydrophobicContact CB-CD2 3.96Å; R519-W528 HydrophobicContact CB-CG 3.89Å; R519-W528 HydrophobicContact CB-CZ2 4.24Å
520G79Confident82.4Confident13 Ų1353.6 Ų53.613%0.13428%0.276CS..EExtended strand (participates in β ladder)trans-66.6150.417100000112.5G522 E523G520-G522 PolarHBondContact O-N 3.25Å; G520-E523 PolarHBondContact N-OE2 2.91Å; G520-E523 PolarHBondContact O-N 3.07Å
521E70Confident81.2Confident120 Ų12055 Ų5556%0.56129%0.286SS*.THydrogen-bonded Turntrans-67.9126.8170.5-167.9165.1-144.900109.4R506 E523R506-E521 IonicContact NH1-OE1 3.19Å; R506-E521 PolarHBondContact NH1-OE1 3.25Å; E521-E523 VanDerWaalsContact C-N 3.29Å; E521-E523 PolarHBondContact O-N 3.17Å
522G65.3Low80Confident86 Ų8656.3 Ų56.389%0.88729%0.293SS*.THydrogen-bonded Turntrans77.90-176.800000116G520 S524G520-G522 PolarHBondContact O-N 3.25Å; G522-S524 PolarHBondContact O-N 3.34Å
523E70.8Confident78.8Confident39 Ų3964.6 Ų64.618%0.18233%0.329CS..  trans-73.5121.7174.1-167.1178.4-165.400110.3G520 E521 R525 K527 W528G520-E523 PolarHBondContact N-OE2 2.91Å; G520-E523 PolarHBondContact O-N 3.07Å; E521-E523 VanDerWaalsContact C-N 3.29Å; E521-E523 PolarHBondContact O-N 3.17Å; E523-R525 PolarHBondContact O-N 3.21Å; E523-K527 HydrophobicContact CG-CB 4.45Å; E523-K527 HydrophobicContact CG-CD 4.36Å; E523-K527 HydrophobicContact CG-CG 4.44Å; E523-W528 HydrophobicContact CG-CB 4Å
524S69.6Low77.2Confident43 Ų4367.8 Ų67.830%0.30134%0.341SS..  trans-59.2139.6175.766.80000110.3G522 E526 K527 W528G522-S524 PolarHBondContact O-N 3.34Å; S524-E526 PolarHBondContact O-N 3.46Å; S524-K527 PolarHBondContact O-N 3.2Å; S524-K527 VanDerWaalsContact O-N 3.13Å; S524-K527 WeakPolarHBondContact OG-CB 3.22Å; S524-K527 PolarHBondContact OG-N 3.48Å; S524-W528 PolarHBondContact O-N 2.76Å
525R71.4Confident75.3Confident104 Ų10469.6 Ų69.639%0.39235%0.354SS..Hα-helixtrans-51.7-42.6179.2177.9179.7172.7-179.6-2.6112.2E478 E523 W528 L529E478-R525 PolarHBondContact O-NH1 3.31Å; E478-R525 VanDerWaalsContact O-NH1 3.12Å; E523-R525 PolarHBondContact O-N 3.21Å; R525-W528 PolarHBondContact O-N 2.88Å; R525-L529 HydrophobicContact CG-CD1 3.75Å; R525-L529 HydrophobicContact CG-CG 4.14Å; R525-L529 WeakPolarHBondContact O-CB 3.02Å; R525-L529 VanDerWaalsContact O-CG 3.23Å; R525-L529 WeakPolarHBondContact O-CG 3.4Å; R525-L529 PolarHBondContact O-N 2.76Å
526E71.1Confident73Confident124 Ų12476.9 Ų76.958%0.57939%0.387SS*.Hα-helixtrans-63.5-46.4-178.7-162.4-168.3156.900112.1S524 L529 K530S524-E526 PolarHBondContact O-N 3.46Å; E526-L529 PolarHBondContact O-N 3.12Å; E526-K530 WeakPolarHBondContact O-CB 2.98Å; E526-K530 WeakPolarHBondContact O-CG 3.33Å; E526-K530 PolarHBondContact O-N 3.06Å; E526-K530 VanDerWaalsContact OE1-CE 3.27Å; E526-K530 WeakPolarHBondContact OE1-CE 3.29Å; E526-K530 IonicContact OE1-NZ 2.68Å; E526-K530 PolarHBondContact OE1-NZ 3.32Å
527K75Confident70.8Confident133 Ų13380.6 Ų80.658%0.57841%0.407SS*.Hα-helixtrans-59.9-47.2174.2-174.4178.2177.8-179.40111.4E523 S524 K530 T531E523-K527 HydrophobicContact CG-CB 4.45Å; E523-K527 HydrophobicContact CG-CD 4.36Å; E523-K527 HydrophobicContact CG-CG 4.44Å; S524-K527 PolarHBondContact O-N 3.2Å; S524-K527 VanDerWaalsContact O-N 3.13Å; S524-K527 WeakPolarHBondContact OG-CB 3.22Å; S524-K527 PolarHBondContact OG-N 3.48Å; K527-K530 WeakPolarHBondContact O-CB 3.5Å; K527-K530 PolarHBondContact O-N 2.88Å; K527-T531 PolarHBondContact O-N 3.43Å; K527-T531 PolarHBondContact O-OG1 3.35Å
528W77Confident69.3Low3 Ų387.5 Ų87.51%0.01143%0.433CS..Hα-helixtrans-63.1-44.1179.3174.972.3000112.9Y481 Y510 E517 W518 R519 E523 S524 R525 K530 T531 L532Y481-W528 AromaticContact CD1-CH2 3.82Å; Y481-W528 HydrophobicContact CD1-CH2 3.82Å; Y481-W528 HydrophobicContact CD1-CZ3 4.07Å; Y481-W528 HydrophobicContact CD2-CH2 4.17Å; Y481-W528 AromaticContact CD2-CZ3 3.64Å; Y481-W528 HydrophobicContact CD2-CZ3 3.64Å; Y481-W528 AromaticContact CE1-CH2 3.49Å; Y481-W528 HydrophobicContact CE1-CH2 3.49Å; Y481-W528 VanDerWaalsContact CE1-CH2 3.49Å; Y481-W528 AromaticContact CE1-CZ3 3.99Å; Y481-W528 HydrophobicContact CE1-CZ3 3.99Å; Y481-W528 AromaticContact CE2-CH2 3.85Å; Y481-W528 HydrophobicContact CE2-CH2 3.85Å; Y481-W528 AromaticContact CE2-CZ3 3.53Å; Y481-W528 HydrophobicContact CE2-CZ3 3.53Å; Y481-W528 HydrophobicContact CG-CH2 4.15Å; Y481-W528 AromaticContact CG-CZ3 3.9Å; Y481-W528 HydrophobicContact CG-CZ3 3.9Å; Y481-W528 AromaticContact CZ-CH2 3.48Å; Y481-W528 VanDerWaalsContact CZ-CH2 3.48Å; Y481-W528 AromaticContact CZ-CZ3 3.7Å; Y510-W528 HydrophobicContact CD2-CH2 4.09Å; Y510-W528 HydrophobicContact CD2-CZ2 4.3Å; Y510-W528 AromaticContact CE2-CH2 3.9Å; Y510-W528 HydrophobicContact CE2-CH2 3.9Å; Y510-W528 HydrophobicContact CE2-CZ2 4.23Å; E517-W528 HydrophobicContact CB-CZ2 4.38Å; W518-W528 PolarHBondContact O-NE1 3.39Å; R519-W528 HydrophobicContact CB-CD2 3.96Å; R519-W528 HydrophobicContact CB-CG 3.89Å; R519-W528 HydrophobicContact CB-CZ2 4.24Å; E523-W528 HydrophobicContact CG-CB 4Å; S524-W528 PolarHBondContact O-N 2.76Å; R525-W528 PolarHBondContact O-N 2.88Å; W528-K530 VanDerWaalsContact C-N 3.32Å; W528-K530 PolarHBondContact O-N 3.06Å; W528-T531 WeakPolarHBondContact O-CB 3.42Å; W528-T531 PolarHBondContact O-N 3.22Å; W528-T531 VanDerWaalsContact O-N 3.14Å; W528-L532 HydrophobicContact CD2-CD1 3.81Å; W528-L532 HydrophobicContact CD2-CG 4.47Å; W528-L532 VanDerWaalsContact CE2-CD1 3.42Å; W528-L532 HydrophobicContact CE3-CD1 3.98Å; W528-L532 HydrophobicContact CH2-CD1 3.49Å; W528-L532 VanDerWaalsContact CH2-CD1 3.49Å; W528-L532 HydrophobicContact CZ2-CD1 3.29Å; W528-L532 HydrophobicContact CZ2-CG 4.22Å; W528-L532 HydrophobicContact CZ3-CD1 3.82Å; W528-L532 PolarHBondContact O-N 2.96Å
529L74.9Confident68.2Low44 Ų4493.6 Ų93.623%0.2346%0.462CS..Hα-helixtrans-64.1-36.6176.2-72.6175.3000112.2Y481 R525 E526 L532 K533Y481-L529 HydrophobicContact CD2-CD2 4.17Å; Y481-L529 HydrophobicContact CE2-CD2 3.6Å; R525-L529 HydrophobicContact CG-CD1 3.75Å; R525-L529 HydrophobicContact CG-CG 4.14Å; R525-L529 WeakPolarHBondContact O-CB 3.02Å; R525-L529 VanDerWaalsContact O-CG 3.23Å; R525-L529 WeakPolarHBondContact O-CG 3.4Å; R525-L529 PolarHBondContact O-N 2.76Å; E526-L529 PolarHBondContact O-N 3.12Å; L529-L532 HydrophobicContact CD2-CD1 4.4Å; L529-L532 PolarHBondContact O-N 3.16Å; L529-K533 WeakPolarHBondContact O-CG 3.48Å; L529-K533 PolarHBondContact O-N 3.09Å; L529-K533 VanDerWaalsContact O-N 3.17Å
530K72.8Confident68Low123 Ų12392 Ų9254%0.53546%0.459SS..Hα-helixtrans-61.6-46171.4-75.9173.7-174.6168.50110.2E526 K527 W528 L532 K533 M534E526-K530 WeakPolarHBondContact O-CB 2.98Å; E526-K530 WeakPolarHBondContact O-CG 3.33Å; E526-K530 PolarHBondContact O-N 3.06Å; E526-K530 VanDerWaalsContact OE1-CE 3.27Å; E526-K530 WeakPolarHBondContact OE1-CE 3.29Å; E526-K530 IonicContact OE1-NZ 2.68Å; E526-K530 PolarHBondContact OE1-NZ 3.32Å; K527-K530 WeakPolarHBondContact O-CB 3.5Å; K527-K530 PolarHBondContact O-N 2.88Å; W528-K530 VanDerWaalsContact C-N 3.32Å; W528-K530 PolarHBondContact O-N 3.06Å; K530-L532 PolarHBondContact O-N 2.91Å; K530-K533 PolarHBondContact O-N 3.03Å; K530-M534 VanDerWaalsContact O-CG 3.23Å; K530-M534 WeakPolarHBondContact O-CG 3.36Å; K530-M534 PolarHBondContact O-N 2.58Å
531T71.2Confident68.5Low42 Ų4292.5 Ų92.526%0.25846%0.458SS..Hα-helixtrans-60.1-43.6176.5-50.40000112.2K527 W528 K533 M534K527-T531 PolarHBondContact O-N 3.43Å; K527-T531 PolarHBondContact O-OG1 3.35Å; W528-T531 WeakPolarHBondContact O-CB 3.42Å; W528-T531 PolarHBondContact O-N 3.22Å; W528-T531 VanDerWaalsContact O-N 3.14Å; T531-K533 VanDerWaalsContact C-N 3.33Å; T531-K533 PolarHBondContact O-N 2.93Å; T531-M534 PolarHBondContact O-N 3.3Å
532L71.3Confident69.5Low27 Ų2787 Ų8714%0.14143%0.432CS..Hα-helixtrans-62-36.1177.4-85.7172.2000113.7E517 W528 L529 K530 L541E517-L532 HydrophobicContact CG-CD2 4.4Å; W528-L532 HydrophobicContact CD2-CD1 3.81Å; W528-L532 HydrophobicContact CD2-CG 4.47Å; W528-L532 VanDerWaalsContact CE2-CD1 3.42Å; W528-L532 HydrophobicContact CE3-CD1 3.98Å; W528-L532 HydrophobicContact CH2-CD1 3.49Å; W528-L532 VanDerWaalsContact CH2-CD1 3.49Å; W528-L532 HydrophobicContact CZ2-CD1 3.29Å; W528-L532 HydrophobicContact CZ2-CG 4.22Å; W528-L532 HydrophobicContact CZ3-CD1 3.82Å; W528-L532 PolarHBondContact O-N 2.96Å; L529-L532 HydrophobicContact CD2-CD1 4.4Å; L529-L532 PolarHBondContact O-N 3.16Å; K530-L532 PolarHBondContact O-N 2.91Å; L532-L541 HydrophobicContact CD2-CB 4.23Å
533K68.9Low70.7Confident174 Ų17484.4 Ų84.476%0.75740%0.399SS*.Hα-helixtrans-78.9-20.3-178.6-72.9179.3-178.8-177.70113.4L529 K530 T531 V535L529-K533 WeakPolarHBondContact O-CG 3.48Å; L529-K533 PolarHBondContact O-N 3.09Å; L529-K533 VanDerWaalsContact O-N 3.17Å; K530-K533 PolarHBondContact O-N 3.03Å; T531-K533 VanDerWaalsContact C-N 3.33Å; T531-K533 PolarHBondContact O-N 2.93Å; K533-V535 PolarHBondContact O-N 2.65Å
534M61.5Low71.8Confident124 Ų12482.7 Ų82.761%0.61139%0.391SS*.  trans-73.1109-179.6-71-80-87.700110.4K530 T531 K536 D537K530-M534 VanDerWaalsContact O-CG 3.23Å; K530-M534 WeakPolarHBondContact O-CG 3.36Å; K530-M534 PolarHBondContact O-N 2.58Å; T531-M534 PolarHBondContact O-N 3.3Å; M534-K536 PolarHBondContact O-N 3.44Å; M534-K536 VanDerWaalsContact O-N 3.09Å; M534-D537 PolarHBondContact O-N 3.21Å; M534-D537 VanDerWaalsContact O-N 3.15Å
535V52.3Low72.7Confident123 Ų12384.1 Ų84.175%0.74539%0.393SS*.THydrogen-bonded Turntrans-58.5-26.4-173.9179.10000113.4K533K533-V535 PolarHBondContact O-N 2.65Å
536K46.3Very low73.7Confident204 Ų20483 Ų8389%0.88739%0.393SS*.THydrogen-bonded Turntrans-79.6-18.6-179-92.4-177.8171.5-178.80114.7M534M534-K536 PolarHBondContact O-N 3.44Å; M534-K536 VanDerWaalsContact O-N 3.09Å
537D48.8Very low74.7Confident81 Ų8177.3 Ų77.343%0.43337%0.366SS..  trans-135.652.4-171.1-85.1-48.6000113M534 Q539M534-D537 PolarHBondContact O-N 3.21Å; M534-D537 VanDerWaalsContact O-N 3.15Å; D537-Q539 PolarHBondContact O-N 3.04Å; D537-Q539 PolarHBondContact OD1-NE2 3.39Å
538R62.5Low75.6Confident152 Ų15275 Ų7557%0.57436%0.363SS*.  trans-70.149.9168.5-68.5-176.5174.6-172.62.3112.2N540R538-N540 VanDerWaalsContact C-N 3.28Å
539Q67Low76.5Confident142 Ų14276 Ų7666%0.66437%0.37SS*.THydrogen-bonded Turntrans-77.4-14.7179.9-60.8-17019.900112.8W518 D537W518-Q539 WeakPolarHBondContact CZ2-O 3.38Å; D537-Q539 PolarHBondContact O-N 3.04Å; D537-Q539 PolarHBondContact OD1-NE2 3.39Å
540N80.9Confident77.5Confident32 Ų3274.8 Ų74.817%0.17136%0.364CS..THydrogen-bonded Turntrans-10921.5-174.2-74.3-14.5000114.1W518 R538W518-N540 PolarHBondContact N-O 3.46Å; W518-N540 PolarHBondContact NE1-OD1 3.44Å; W518-N540 WeakPolarHBondContact O-CB 3.11Å; R538-N540 VanDerWaalsContact C-N 3.28Å
541L89.4Confident78.6Confident22 Ų2272 Ų7212%0.11535%0.353CS..EExtended strand (participates in β ladder)trans-148140.7-174.3171.177.4000109.4R515 V516 E517 L532R515-L541 HydrophobicContact CB-CD1 3.64Å; R515-L541 HydrophobicContact CG-CD1 3.64Å; V516-L541 CarbonylContact O-C 3.51Å; V516-L541 WeakPolarHBondContact O-CA 3.24Å; E517-L541 HydrophobicContact CB-CD1 4.48Å; E517-L541 HydrophobicContact CG-CD1 3.34Å; L532-L541 HydrophobicContact CD2-CB 4.23Å
542L91.1Very high79.8Confident5 Ų574 Ų743%0.02636%0.36CS..EExtended strand (participates in β ladder)trans-131124.6168.3-175.169.5000109.2R515 V516 W518 Q546 I547 L563 V565R515-L542 CarbonylContact C-O 3.6Å; R515-L542 WeakPolarHBondContact CA-O 3.29Å; R515-L542 WeakPolarHBondContact CB-O 3.33Å; V516-L542 HydrophobicContact CG1-CB 3.77Å; V516-L542 HydrophobicContact CG1-CD2 4.42Å; V516-L542 PolarHBondContact N-O 3.19Å; V516-L542 PolarHBondContact O-N 2.7Å; W518-L542 HydrophobicContact CH2-CB 4.24Å; W518-L542 HydrophobicContact CZ3-CB 3.96Å; L542-Q546 HydrophobicContact CD1-CB 3.84Å; L542-I547 HydrophobicContact CD2-CD1 3.88Å; L542-I547 HydrophobicContact CD2-CG1 3.6Å; L542-I547 HydrophobicContact CG-CD1 4.3Å; L542-I547 HydrophobicContact CG-CG1 3.92Å; L542-L563 HydrophobicContact CD2-CD1 4.08Å; L542-V565 HydrophobicContact CD1-CB 4.5Å; L542-V565 HydrophobicContact CD1-CG1 3.75Å; L542-V565 HydrophobicContact CD1-CG2 3.83Å; L542-V565 HydrophobicContact CD2-CG2 3.85Å; L542-V565 HydrophobicContact CG-CG2 4.47Å
543T92.1Very high80.9Confident32 Ų3275 Ų7520%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-82.8150.4177.670.30000110.8E545 Q546 I547T543-E545 PolarHBondContact O-N 3.06Å; T543-E545 VanDerWaalsContact O-N 3.14Å; T543-Q546 WeakPolarHBondContact O-CB 3.41Å; T543-Q546 PolarHBondContact O-N 2.81Å; T543-Q546 VanDerWaalsContact OG1-CG 3.29Å; T543-Q546 WeakPolarHBondContact OG1-CG 3.26Å; T543-Q546 PolarHBondContact OG1-N 2.84Å; T543-Q546 PolarHBondContact OG1-OE1 3.35Å; T543-I547 PolarHBondContact O-N 3.37Å
544M93.3Very high81.9Confident2 Ų272.7 Ų72.71%0.0136%0.359CS..THydrogen-bonded Turntrans-61.9-22.5176.9-65.4-59162.700112.7L511 N514 I547 L588 A591 F592 A595 Q596L511-M544 HydrophobicContact CD1-CE 3.31Å; N514-M544 VanDerWaalsContact C-CG 3.43Å; N514-M544 PolarHBondContact O-N 3.48Å; M544-I547 HydrophobicContact SD-CD1 3.8Å; M544-L588 HydrophobicContact CE-CD2 4.49Å; M544-A591 HydrophobicContact CE-CB 3.94Å; M544-A591 HydrophobicContact SD-CB 4.37Å; M544-F592 HydrophobicContact SD-CB 4.29Å; M544-A595 HydrophobicContact CB-CB 3.46Å; M544-A595 VanDerWaalsContact CB-CB 3.46Å; M544-A595 HydrophobicContact CG-CB 4Å; M544-Q596 PolarHBondContact O-NE2 3.06Å
545E88.9Confident83.2Confident73 Ų7368.9 Ų68.934%0.34134%0.343SS..THydrogen-bonded Turntrans-72.1-29.3173.8-163.9-156.4146.700112.9T543 K566 L599T543-E545 PolarHBondContact O-N 3.06Å; T543-E545 VanDerWaalsContact O-N 3.14Å; E545-K566 WeakPolarHBondContact O-CE 3.47Å; E545-K566 PolarHBondContact O-NZ 2.93Å; E545-K566 IonicContact OE1-NZ 3.61Å; E545-L599 HydrophobicContact CB-CD1 3.98Å; E545-L599 HydrophobicContact CG-CD1 3.79Å; E545-L599 HydrophobicContact CG-CD2 4.44Å
546Q90.6Very high84.8Confident82 Ų8272.1 Ų72.138%0.38335%0.347SS..THydrogen-bonded Turntrans-78.1-27.1178.3-73.2172.8-4200111.7L542 T543 V565 K566L542-Q546 HydrophobicContact CD1-CB 3.84Å; T543-Q546 WeakPolarHBondContact O-CB 3.41Å; T543-Q546 PolarHBondContact O-N 2.81Å; T543-Q546 VanDerWaalsContact OG1-CG 3.29Å; T543-Q546 WeakPolarHBondContact OG1-CG 3.26Å; T543-Q546 PolarHBondContact OG1-N 2.84Å; T543-Q546 PolarHBondContact OG1-OE1 3.35Å; Q546-V565 HydrophobicContact CB-CG1 3.97Å; Q546-V565 CarbonylContact O-C 3.56Å; Q546-V565 VanDerWaalsContact O-CA 3.32Å; Q546-V565 WeakPolarHBondContact O-CA 3.37Å; Q546-V565 WeakPolarHBondContact O-CG1 3.38Å; Q546-K566 PolarHBondContact O-N 2.94Å
547I93.4Very high86.6Confident3 Ų369.6 Ų69.62%0.01534%0.343CS..EExtended strand (participates in β ladder)trans-70.3141.3177-60.4174.6000109.6L542 T543 M544 V550 R564 F592L542-I547 HydrophobicContact CD2-CD1 3.88Å; L542-I547 HydrophobicContact CD2-CG1 3.6Å; L542-I547 HydrophobicContact CG-CD1 4.3Å; L542-I547 HydrophobicContact CG-CG1 3.92Å; T543-I547 PolarHBondContact O-N 3.37Å; M544-I547 HydrophobicContact SD-CD1 3.8Å; I547-V550 HydrophobicContact CG2-CG2 4.14Å; I547-R564 CarbonylContact C-O 3.55Å; I547-F592 HydrophobicContact CB-CD2 3.91Å; I547-F592 HydrophobicContact CB-CE2 4.08Å; I547-F592 HydrophobicContact CG2-CD2 3.72Å; I547-F592 HydrophobicContact CG2-CE2 3.89Å; I547-F592 HydrophobicContact CG2-CG 4.33Å; I547-F592 VanDerWaalsContact O-CE2 3.31Å; I547-F592 WeakPolarHBondContact O-CE2 3.5Å
548V94.1Very high88.4Confident84 Ų8471.4 Ų71.451%0.50935%0.347SS..EExtended strand (participates in β ladder)trans-110.6-40.8177.9178.70000110.3R564 K566 F592V548-R564 HydrophobicContact CB-CB 4.37Å; V548-R564 PolarHBondContact N-O 2.69Å; V548-K566 HydrophobicContact CG2-CG 4Å; V548-F592 VanDerWaalsContact O-CZ 3.27Å; V548-F592 WeakPolarHBondContact O-CZ 3.45Å
549S94.5Very high89.9Confident24 Ų2468.6 Ų68.617%0.16834%0.339CS..EExtended strand (participates in β ladder)trans-152.3154.6175.662.70000111.7E551 R564S549-E551 WeakPolarHBondContact CB-OE1 3.47Å; S549-E551 PolarHBondContact OG-OE1 2.89Å; S549-R564 PolarHBondContact O-N 3.29Å; S549-R564 WeakPolarHBondContact OG-CB 3.27Å; S549-R564 WeakPolarHBondContact OG-CD 3.27Å; S549-R564 WeakPolarHBondContact OG-CG 3.32Å
550V96.1Very high91.2Very high19 Ų1961.8 Ų61.812%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-117108.1171.2-175.70000106.9I547 I561 L563 L588 F592I547-V550 HydrophobicContact CG2-CG2 4.14Å; V550-I561 HydrophobicContact CG1-CG2 3.92Å; V550-L563 HydrophobicContact CB-CD2 4.19Å; V550-L563 HydrophobicContact CG1-CD2 3.88Å; V550-L563 HydrophobicContact CG2-CD2 3.82Å; V550-L588 HydrophobicContact CG1-CB 4.14Å; V550-F592 HydrophobicContact CG2-CB 4.2Å; V550-F592 HydrophobicContact CG2-CD1 4.42Å; V550-F592 HydrophobicContact CG2-CG 4.33Å
551E95.8Very high92Very high65 Ų6560.3 Ų60.330%0.30430%0.299SS..EExtended strand (participates in β ladder)trans-120156.5-173.4-72.8163.5-147.200110.9S549 L562 R564S549-E551 WeakPolarHBondContact CB-OE1 3.47Å; S549-E551 PolarHBondContact OG-OE1 2.89Å; E551-L562 HydrophobicContact CB-CB 4.25Å; E551-L562 PolarHBondContact N-O 3.3Å; E551-L562 PolarHBondContact O-N 2.81Å; E551-R564 VanDerWaalsContact CD-NE 3.33Å; E551-R564 WeakPolarHBondContact OE1-CD 3.16Å; E551-R564 IonicContact OE1-NE 3.96Å; E551-R564 PolarHBondContact OE1-NE 2.94Å; E551-R564 IonicContact OE2-CZ 3.96Å; E551-R564 IonicContact OE2-NE 3.2Å; E551-R564 PolarHBondContact OE2-NE 3.08Å; E551-R564 IonicContact OE2-NH2 3Å; E551-R564 PolarHBondContact OE2-NH2 2.95Å
552E96.3Very high92.3Very high84 Ų8459.7 Ų59.739%0.39330%0.296SS..EExtended strand (participates in β ladder)trans-89.5138.8163.7173.4169.1172.300109.5F581 K585E552-F581 HydrophobicContact CB-CZ 4.31Å; E552-F581 HydrophobicContact CG-CZ 3.79Å; E552-K585 IonicContact OE2-NZ 3.36Å; E552-K585 PolarHBondContact OE2-NZ 3.49Å
553T94.4Very high92.5Very high47 Ų4759.7 Ų59.729%0.28830%0.296SS..EExtended strand (participates in β ladder)trans-138.8169.1173.8-163.70000109.8C560 L562 V572T553-C560 HydrophobicContact CG2-CB 3.74Å; T553-C560 PolarHBondContact N-O 3.08Å; T553-C560 PolarHBondContact O-N 3.17Å; T553-L562 HydrophobicContact CG2-CB 3.88Å; T553-V572 HydrophobicContact CG2-CG1 4.27Å
554Q91.6Very high92.6Very high127 Ų12762.5 Ų62.559%0.59330%0.303SS*.EExtended strand (participates in β ladder)trans-122.3133.3175-76.8-177.5-22.800110.2K558Q554-K558 WeakPolarHBondContact CA-O 3.37Å
555V88.8Confident92.5Very high44 Ų4463 Ų6327%0.26731%0.306SS..EExtended strand (participates in β ladder)trans-128.2113.9173.9-178.60000107.9W504 D557 K558 V572W504-V555 HydrophobicContact CZ2-CB 4.4Å; W504-V555 HydrophobicContact CZ2-CG1 4.17Å; V555-D557 VanDerWaalsContact C-N 3.32Å; V555-D557 PolarHBondContact O-N 2.71Å; V555-K558 PolarHBondContact N-O 2.82Å; V555-K558 PolarHBondContact O-N 3.14Å; V555-K558 VanDerWaalsContact O-N 3.12Å; V555-V572 HydrophobicContact CG2-CG1 4.13Å
556K85.8Confident92.5Very high191 Ų19165 Ų6583%0.8331%0.314SS*.THydrogen-bonded Turntrans49.952-176.1-58-177.6178.1-174.70111.8K558K556-K558 PolarHBondContact O-N 3.03Å
557D83.1Confident92.2Very high151 Ų15165 Ų6581%0.80734%0.336SS*.THydrogen-bonded Turntrans63.46.6-179.8-49.6-45.7000116.2V555V555-D557 VanDerWaalsContact C-N 3.32Å; V555-D557 PolarHBondContact O-N 2.71Å
558K87Confident91.7Very high118 Ų11868.2 Ų68.251%0.51337%0.369SS..EExtended strand (participates in β ladder)trans-96.7130.5173-61.5-165.8176.8-169.50111.1Q554 V555 K556 C560Q554-K558 WeakPolarHBondContact CA-O 3.37Å; V555-K558 PolarHBondContact N-O 2.82Å; V555-K558 PolarHBondContact O-N 3.14Å; V555-K558 VanDerWaalsContact O-N 3.12Å; K556-K558 PolarHBondContact O-N 3.03Å; K558-C560 PolarHBondContact O-N 3.18Å
559K93.1Very high91.3Very high93 Ų9371 Ų7140%0.40438%0.375SS..EExtended strand (participates in β ladder)trans-62.6132.3170.8-67.3177.8-176.1161.90109.7F581K559-F581 HydrophobicContact CB-CD1 4.41Å; K559-F581 HydrophobicContact CB-CD2 4.15Å; K559-F581 HydrophobicContact CB-CE1 4.18Å; K559-F581 HydrophobicContact CB-CE2 3.9Å; K559-F581 HydrophobicContact CB-CG 4.41Å; K559-F581 HydrophobicContact CB-CZ 3.92Å; K559-F581 HydrophobicContact CD-CD1 4.24Å; K559-F581 HydrophobicContact CD-CE1 3.95Å; K559-F581 HydrophobicContact CD-CZ 4.4Å
560C95.9Very high91.1Very high0 Ų075.4 Ų75.40%039%0.392CS..EExtended strand (participates in β ladder)trans-136.5152.2-178.4-70.60000109.6T553 K558 V572 L573T553-C560 HydrophobicContact CG2-CB 3.74Å; T553-C560 PolarHBondContact N-O 3.08Å; T553-C560 PolarHBondContact O-N 3.17Å; K558-C560 PolarHBondContact O-N 3.18Å; C560-V572 HydrophobicContact CB-CG1 3.65Å; C560-L573 CarbonylContact C-O 3.54Å; C560-L573 VanDerWaalsContact CA-O 3.24Å; C560-L573 WeakPolarHBondContact CA-O 3.41Å; C560-L573 WeakPolarHBondContact CB-O 3.39Å
561I97.1Very high90.8Very high0 Ų076.4 Ų76.40%040%0.395CS..EExtended strand (participates in β ladder)trans-94.5122.3172.5-55.6170.2000107.5V550 L563 V572 L573 F581 W584 K585 L588V550-I561 HydrophobicContact CG1-CG2 3.92Å; I561-L563 HydrophobicContact CG2-CD2 4Å; I561-V572 WeakPolarHBondContact O-CA 3.21Å; I561-L573 HydrophobicContact CB-CB 4.3Å; I561-L573 PolarHBondContact N-O 3.34Å; I561-L573 PolarHBondContact O-N 3.34Å; I561-F581 HydrophobicContact CD1-CD2 4.39Å; I561-F581 HydrophobicContact CG1-CD2 3.88Å; I561-F581 HydrophobicContact CG1-CE2 3.67Å; I561-W584 HydrophobicContact CD1-CB 3.68Å; I561-K585 HydrophobicContact CD1-CB 3.99Å; I561-K585 HydrophobicContact CG1-CB 4.21Å; I561-L588 HydrophobicContact CD1-CD1 4.26Å; I561-L588 HydrophobicContact CG2-CD1 4.22Å
562L95.6Very high90.7Very high10 Ų1074.2 Ų74.25%0.05239%0.386CS..EExtended strand (participates in β ladder)trans-101.3115.4175.4175.463.8000109.6E551 T553 R564 Q570 V572E551-L562 HydrophobicContact CB-CB 4.25Å; E551-L562 PolarHBondContact N-O 3.3Å; E551-L562 PolarHBondContact O-N 2.81Å; T553-L562 HydrophobicContact CG2-CB 3.88Å; L562-R564 HydrophobicContact CD2-CG 4.5Å; L562-R564 HydrophobicContact CG-CG 4.38Å; L562-Q570 HydrophobicContact CD1-CB 3.96Å; L562-Q570 HydrophobicContact CD1-CG 4.16Å; L562-V572 HydrophobicContact CD1-CG2 4Å
563L94.9Very high90.7Very high4 Ų470.4 Ų70.42%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-98.5116.2169.7-49.4177000108.9L542 V550 I561 Q570 F571 L573 L588L542-L563 HydrophobicContact CD2-CD1 4.08Å; V550-L563 HydrophobicContact CB-CD2 4.19Å; V550-L563 HydrophobicContact CG1-CD2 3.88Å; V550-L563 HydrophobicContact CG2-CD2 3.82Å; I561-L563 HydrophobicContact CG2-CD2 4Å; L563-Q570 WeakPolarHBondContact O-CA 3.48Å; L563-F571 HydrophobicContact CB-CB 4.18Å; L563-F571 PolarHBondContact N-O 3.41Å; L563-F571 PolarHBondContact O-N 3.1Å; L563-L573 HydrophobicContact CD1-CD1 3.93Å; L563-L573 HydrophobicContact CG-CD1 4.45Å; L563-L588 HydrophobicContact CD2-CD1 4.45Å
564R93.8Very high90.7Very high92 Ų9269.1 Ų69.135%0.34736%0.36SS..EExtended strand (participates in β ladder)trans-88135170.1-60.4-172.3-171-90.2-10.5109.2I547 V548 S549 E551 L562I547-R564 CarbonylContact C-O 3.55Å; V548-R564 HydrophobicContact CB-CB 4.37Å; V548-R564 PolarHBondContact N-O 2.69Å; S549-R564 PolarHBondContact O-N 3.29Å; S549-R564 WeakPolarHBondContact OG-CB 3.27Å; S549-R564 WeakPolarHBondContact OG-CD 3.27Å; S549-R564 WeakPolarHBondContact OG-CG 3.32Å; E551-R564 VanDerWaalsContact CD-NE 3.33Å; E551-R564 WeakPolarHBondContact OE1-CD 3.16Å; E551-R564 IonicContact OE1-NE 3.96Å; E551-R564 PolarHBondContact OE1-NE 2.94Å; E551-R564 IonicContact OE2-CZ 3.96Å; E551-R564 IonicContact OE2-NE 3.2Å; E551-R564 PolarHBondContact OE2-NE 3.08Å; E551-R564 IonicContact OE2-NH2 3Å; E551-R564 PolarHBondContact OE2-NH2 2.95Å; L562-R564 HydrophobicContact CD2-CG 4.5Å; L562-R564 HydrophobicContact CG-CG 4.38Å
565V91.6Very high90.9Very high13 Ų1363.6 Ų63.68%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-123.1148.6-173.3-176.40000110L542 Q546 G567 G568 K569 F571L542-V565 HydrophobicContact CD1-CB 4.5Å; L542-V565 HydrophobicContact CD1-CG1 3.75Å; L542-V565 HydrophobicContact CD1-CG2 3.83Å; L542-V565 HydrophobicContact CD2-CG2 3.85Å; L542-V565 HydrophobicContact CG-CG2 4.47Å; Q546-V565 HydrophobicContact CB-CG1 3.97Å; Q546-V565 CarbonylContact O-C 3.56Å; Q546-V565 VanDerWaalsContact O-CA 3.32Å; Q546-V565 WeakPolarHBondContact O-CA 3.37Å; Q546-V565 WeakPolarHBondContact O-CG1 3.38Å; V565-G567 PolarHBondContact O-N 3.24Å; V565-G568 PolarHBondContact O-N 2.69Å; V565-K569 HydrophobicContact CB-CB 4.25Å; V565-K569 PolarHBondContact N-O 3.05Å; V565-K569 PolarHBondContact O-N 2.79Å; V565-F571 HydrophobicContact CG2-CD2 3.63Å; V565-F571 HydrophobicContact CG2-CE2 3.86Å
566K89.1Confident91.1Very high114 Ų11465.6 Ų65.650%0.49634%0.341SS..THydrogen-bonded Turntrans-48.3138.5172.9-72.2177.6177.81650110.7E545 Q546 V548E545-K566 WeakPolarHBondContact O-CE 3.47Å; E545-K566 PolarHBondContact O-NZ 2.93Å; E545-K566 IonicContact OE1-NZ 3.61Å; Q546-K566 PolarHBondContact O-N 2.94Å; V548-K566 HydrophobicContact CG2-CG 4Å
567G84.8Confident91.6Very high82 Ų8256.8 Ų56.885%0.84530%0.303SS*.THydrogen-bonded Turntrans81.517.9-174.600000114.5V565 K569V565-G567 PolarHBondContact O-N 3.24Å; G567-K569 VanDerWaalsContact C-N 3.29Å; G567-K569 PolarHBondContact O-N 2.65Å
568G82.4Confident92.2Very high70 Ų7052.3 Ų52.372%0.72228%0.279SS*.THydrogen-bonded Turntrans78.26170.600000115.3V565V565-G568 PolarHBondContact O-N 2.69Å
569K86.4Confident92.6Very high144 Ų14448.6 Ų48.663%0.62627%0.267SS*.EExtended strand (participates in β ladder)trans-74.5147.6177.3-66.3-177.4-178.8-179.70110.8V565 G567 F571V565-K569 HydrophobicContact CB-CB 4.25Å; V565-K569 PolarHBondContact N-O 3.05Å; V565-K569 PolarHBondContact O-N 2.79Å; G567-K569 VanDerWaalsContact C-N 3.29Å; G567-K569 PolarHBondContact O-N 2.65Å; K569-F571 HydrophobicContact CB-CE2 4.36Å
570Q89.3Confident92.8Very high115 Ų11546.5 Ų46.554%0.53726%0.259SS..EExtended strand (participates in β ladder)trans-126.2140.7177.9-70180-6.400110.4L562 L563L562-Q570 HydrophobicContact CD1-CB 3.96Å; L562-Q570 HydrophobicContact CD1-CG 4.16Å; L563-Q570 WeakPolarHBondContact O-CA 3.48Å
571F90.3Very high92.9Very high40 Ų4047.1 Ų47.118%0.17526%0.262CS..EExtended strand (participates in β ladder)trans-123.2120.6173.7-70.4-113000108K495 W518 L563 V565 K569K495-F571 HydrophobicContact CD-CD1 4.4Å; K495-F571 VanDerWaalsContact CE-CE1 3.47Å; W518-F571 HydrophobicContact CH2-CD1 4.43Å; W518-F571 AromaticContact CH2-CE1 3.91Å; W518-F571 HydrophobicContact CH2-CE1 3.91Å; W518-F571 HydrophobicContact CZ2-CE1 4.14Å; L563-F571 HydrophobicContact CB-CB 4.18Å; L563-F571 PolarHBondContact N-O 3.41Å; L563-F571 PolarHBondContact O-N 3.1Å; V565-F571 HydrophobicContact CG2-CD2 3.63Å; V565-F571 HydrophobicContact CG2-CE2 3.86Å; K569-F571 HydrophobicContact CB-CE2 4.36Å
572V93.3Very high92.9Very high19 Ų1951.5 Ų51.512%0.11529%0.288CS..EExtended strand (participates in β ladder)trans-105.2125176.6-170.80000108.3L496 W504 T553 V555 C560 I561 L562L496-V572 HydrophobicContact CB-CB 3.89Å; L496-V572 HydrophobicContact CD2-CB 4.15Å; L496-V572 HydrophobicContact CD2-CG2 4.18Å; L496-V572 PolarHBondContact N-O 2.9Å; W504-V572 HydrophobicContact CH2-CG1 3.88Å; W504-V572 HydrophobicContact CZ3-CG1 4.49Å; T553-V572 HydrophobicContact CG2-CG1 4.27Å; V555-V572 HydrophobicContact CG2-CG1 4.13Å; C560-V572 HydrophobicContact CB-CG1 3.65Å; I561-V572 WeakPolarHBondContact O-CA 3.21Å; L562-V572 HydrophobicContact CD1-CG2 4Å
573L95.3Very high92.9Very high4 Ų454.6 Ų54.62%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-116.1133.6179.3-53.8176.9000109.4M493 L494 K495 F509 C560 I561 L563 L588M493-L573 HydrophobicContact CE-CD1 4.13Å; M493-L573 HydrophobicContact SD-CB 4.31Å; M493-L573 HydrophobicContact SD-CD1 4.23Å; L494-L573 CarbonylContact O-C 3.6Å; L494-L573 WeakPolarHBondContact O-CA 3.12Å; K495-L573 HydrophobicContact CB-CD2 4.09Å; K495-L573 HydrophobicContact CG-CD2 4.03Å; F509-L573 HydrophobicContact CE1-CD2 4.09Å; F509-L573 HydrophobicContact CZ-CD2 3.7Å; C560-L573 CarbonylContact C-O 3.54Å; C560-L573 VanDerWaalsContact CA-O 3.24Å; C560-L573 WeakPolarHBondContact CA-O 3.41Å; C560-L573 WeakPolarHBondContact CB-O 3.39Å; I561-L573 HydrophobicContact CB-CB 4.3Å; I561-L573 PolarHBondContact N-O 3.34Å; I561-L573 PolarHBondContact O-N 3.34Å; L563-L573 HydrophobicContact CD1-CD1 3.93Å; L563-L573 HydrophobicContact CG-CD1 4.45Å; L573-L588 HydrophobicContact CD1-CD1 4.44Å
574Q95.5Very high93.1Very high21 Ų2154.7 Ų54.710%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-118128.8173.8-174.7-158-39.400108.4L494 W504L494-Q574 HydrophobicContact CB-CB 4.15Å; L494-Q574 PolarHBondContact N-O 3.17Å; L494-Q574 PolarHBondContact O-N 3.37Å; W504-Q574 HydrophobicContact CE3-CB 4.24Å; W504-Q574 HydrophobicContact CH2-CB 3.7Å; W504-Q574 HydrophobicContact CZ2-CB 4.38Å; W504-Q574 HydrophobicContact CZ3-CB 3.62Å
575C96Very high93.3Very high11 Ų1153.4 Ų53.47%0.07430%0.299CS..  trans-86.1162.9175.3-59.60000110.7E580 F581C575-E580 HydrophobicContact CB-CB 3.82Å; C575-F581 HydrophobicContact CB-CB 4.03Å; C575-F581 VanDerWaalsContact SG-CA 3.58Å
576E93.6Very high93.5Very high86 Ų8657.5 Ų57.540%0.40232%0.316SS..SBendtrans-85.7-22.6-179.8-59.7-17114200111.2R506 E580R506-E576 IonicContact CZ-OE1 2.78Å; R506-E576 IonicContact CZ-OE2 3.59Å; R506-E576 IonicContact NE-OE1 2.94Å; R506-E576 PolarHBondContact NE-OE1 3.48Å; R506-E576 IonicContact NE-OE2 3.24Å; R506-E576 IonicContact NH2-OE1 3.03Å; R506-E576 PolarHBondContact NH2-OE1 3.25Å; R506-E576 IonicContact NH2-OE2 4Å; R506-E576 PolarHBondContact NH2-OE2 3.23Å; E576-E580 PolarHBondContact N-OE2 3.26Å
577S95.6Very high94Very high5 Ų553.5 Ų53.54%0.03530%0.299CS..SBendtrans-136162.6175.375.90000114.6N107 N111 E580 F581N107-S577 WeakPolarHBondContact OD1-CB 3.3Å; N107-S577 PolarHBondContact OD1-OG 2.7Å; N111-S577 VanDerWaalsContact CG-CB 3.5Å; N111-S577 VanDerWaalsContact OD1-CA 3.28Å; N111-S577 WeakPolarHBondContact OD1-CA 3.33Å; S577-E580 PolarHBondContact N-OE2 3.32Å; S577-E580 PolarHBondContact O-N 3.48Å; S577-E580 WeakPolarHBondContact OG-CB 3.46Å; S577-E580 VanDerWaalsContact OG-CG 3.24Å; S577-E580 WeakPolarHBondContact OG-CG 3.36Å; S577-E580 PolarHBondContact OG-N 3.25Å; S577-F581 PolarHBondContact O-N 3.15Å
578D94.8Very high94.6Very high57 Ų5749.6 Ų49.631%0.30526%0.259SS..Hα-helixtrans-62.1-46.2174-92.517.2000113.4N111 H113 E580 F581 V582N111-D578 PolarHBondContact OD1-N 2.97Å; H113-D578 IonicContact CE1-OD2 2.78Å; H113-D578 IonicContact NE2-OD2 3.95Å; D578-E580 VanDerWaalsContact C-N 3.32Å; D578-E580 PolarHBondContact O-N 3.08Å; D578-F581 WeakPolarHBondContact O-CB 3.27Å; D578-F581 PolarHBondContact O-N 3.11Å; D578-V582 WeakPolarHBondContact O-CG2 3.44Å; D578-V582 PolarHBondContact O-N 3.43Å
579P96.8Very high95.2Very high40 Ų4049.9 Ų49.926%0.2624%0.244SC..Hα-helixtrans-56.8-42.8172.7-2734.6000113.2L110 V582 Q583L110-P579 HydrophobicContact CB-CG 3.45Å; L110-P579 VanDerWaalsContact CB-CG 3.45Å; L110-P579 HydrophobicContact CD1-CG 4.07Å; L110-P579 HydrophobicContact CG-CG 4.43Å; P579-V582 PolarHBondContact O-N 3.26Å; P579-Q583 VanDerWaalsContact O-CB 3.31Å; P579-Q583 WeakPolarHBondContact O-CB 3.31Å; P579-Q583 PolarHBondContact O-N 3.45Å
580E96.8Very high95.7Very high50 Ų5047.4 Ų47.423%0.23424%0.235CC..Hα-helixtrans-62-45.1175.6-75.6173.6-176.600111.2C575 E576 S577 D578 V582 Q583 W584C575-E580 HydrophobicContact CB-CB 3.82Å; E576-E580 PolarHBondContact N-OE2 3.26Å; S577-E580 PolarHBondContact N-OE2 3.32Å; S577-E580 PolarHBondContact O-N 3.48Å; S577-E580 WeakPolarHBondContact OG-CB 3.46Å; S577-E580 VanDerWaalsContact OG-CG 3.24Å; S577-E580 WeakPolarHBondContact OG-CG 3.36Å; S577-E580 PolarHBondContact OG-N 3.25Å; D578-E580 VanDerWaalsContact C-N 3.32Å; D578-E580 PolarHBondContact O-N 3.08Å; E580-V582 PolarHBondContact O-N 3.38Å; E580-Q583 PolarHBondContact O-N 3.33Å; E580-W584 VanDerWaalsContact O-CB 3.31Å; E580-W584 WeakPolarHBondContact O-CB 3.02Å; E580-W584 VanDerWaalsContact O-CD1 3.23Å; E580-W584 PolarHBondContact O-N 3.22Å
581F97.1Very high96.1Very high12 Ų1242.4 Ų42.45%0.05321%0.213CC..Hα-helixtrans-57.7-48.8177.4170.8-96.9000111.9E552 K559 I561 C575 S577 D578 Q583 K585E552-F581 HydrophobicContact CB-CZ 4.31Å; E552-F581 HydrophobicContact CG-CZ 3.79Å; K559-F581 HydrophobicContact CB-CD1 4.41Å; K559-F581 HydrophobicContact CB-CD2 4.15Å; K559-F581 HydrophobicContact CB-CE1 4.18Å; K559-F581 HydrophobicContact CB-CE2 3.9Å; K559-F581 HydrophobicContact CB-CG 4.41Å; K559-F581 HydrophobicContact CB-CZ 3.92Å; K559-F581 HydrophobicContact CD-CD1 4.24Å; K559-F581 HydrophobicContact CD-CE1 3.95Å; K559-F581 HydrophobicContact CD-CZ 4.4Å; I561-F581 HydrophobicContact CD1-CD2 4.39Å; I561-F581 HydrophobicContact CG1-CD2 3.88Å; I561-F581 HydrophobicContact CG1-CE2 3.67Å; C575-F581 HydrophobicContact CB-CB 4.03Å; C575-F581 VanDerWaalsContact SG-CA 3.58Å; S577-F581 PolarHBondContact O-N 3.15Å; D578-F581 WeakPolarHBondContact O-CB 3.27Å; D578-F581 PolarHBondContact O-N 3.11Å; F581-Q583 PolarHBondContact O-N 3.21Å; F581-K585 HydrophobicContact CE1-CD 4.21Å; F581-K585 HydrophobicContact CZ-CD 3.94Å; F581-K585 WeakPolarHBondContact O-CB 3.48Å; F581-K585 PolarHBondContact O-N 3.03Å
582V96.9Very high96.3Very high92 Ų9241.9 Ų41.956%0.55821%0.211SC*.Hα-helixtrans-60.6-47.1179.1172.80000110.5D578 P579 E580 K586D578-V582 WeakPolarHBondContact O-CG2 3.44Å; D578-V582 PolarHBondContact O-N 3.43Å; P579-V582 PolarHBondContact O-N 3.26Å; E580-V582 PolarHBondContact O-N 3.38Å; V582-K586 WeakPolarHBondContact O-CB 3.25Å; V582-K586 PolarHBondContact O-N 3.17Å; V582-K586 VanDerWaalsContact O-N 3.08Å
583Q97.4Very high96.3Very high75 Ų7543.5 Ų43.535%0.3522%0.221SC..Hα-helixtrans-69.6-48.1-176.6-172.46021.200112M489 P579 E580 F581 K585 K586 E587M489-Q583 HydrophobicContact CE-CG 4.28Å; M489-Q583 HydrophobicContact SD-CG 3.55Å; M489-Q583 VanDerWaalsContact SD-CG 3.55Å; P579-Q583 VanDerWaalsContact O-CB 3.31Å; P579-Q583 WeakPolarHBondContact O-CB 3.31Å; P579-Q583 PolarHBondContact O-N 3.45Å; E580-Q583 PolarHBondContact O-N 3.33Å; F581-Q583 PolarHBondContact O-N 3.21Å; Q583-K585 PolarHBondContact O-N 3.34Å; Q583-K586 PolarHBondContact O-N 3Å; Q583-E587 HydrophobicContact CG-CG 4.36Å; Q583-E587 PolarHBondContact NE2-OE1 3.29Å; Q583-E587 WeakPolarHBondContact O-CG 3.38Å; Q583-E587 PolarHBondContact O-N 3.15Å
584W97.9Very high96.3Very high7 Ų748 Ų483%0.02724%0.241CC..Hα-helixtrans-58.9-44.3176.1-84.7108000112.5M489 M493 F509 L511 I561 E580 K586 L588M489-W584 HydrophobicContact CE-CB 4.18Å; M489-W584 HydrophobicContact CE-CD2 3.16Å; M489-W584 VanDerWaalsContact CE-CE2 3.47Å; M489-W584 HydrophobicContact CE-CE3 3.36Å; M489-W584 HydrophobicContact CE-CG 3.56Å; M489-W584 HydrophobicContact CE-CH2 4.08Å; M489-W584 HydrophobicContact CE-CZ2 3.92Å; M489-W584 HydrophobicContact CE-CZ3 3.83Å; M489-W584 HydrophobicContact CG-CZ2 4.49Å; M493-W584 HydrophobicContact CE-CD2 3.51Å; M493-W584 HydrophobicContact CE-CE3 3.49Å; M493-W584 VanDerWaalsContact CE-CE3 3.49Å; M493-W584 HydrophobicContact CE-CG 4.22Å; M493-W584 HydrophobicContact CE-CH2 3.81Å; M493-W584 HydrophobicContact CE-CZ2 3.81Å; M493-W584 HydrophobicContact CE-CZ3 3.63Å; M493-W584 HydrophobicContact CG-CD2 4.48Å; M493-W584 HydrophobicContact CG-CG 4.5Å; M493-W584 HydrophobicContact SD-CB 4.22Å; M493-W584 HydrophobicContact SD-CD2 3.59Å; M493-W584 VanDerWaalsContact SD-CD2 3.59Å; M493-W584 HydrophobicContact SD-CE3 4.09Å; M493-W584 HydrophobicContact SD-CG 3.63Å; F509-W584 HydrophobicContact CB-CH2 3.77Å; F509-W584 HydrophobicContact CB-CZ2 4.2Å; F509-W584 HydrophobicContact CB-CZ3 4.42Å; L511-W584 HydrophobicContact CB-CH2 4.42Å; L511-W584 HydrophobicContact CB-CZ3 3.93Å; L511-W584 HydrophobicContact CD2-CZ3 4.49Å; I561-W584 HydrophobicContact CD1-CB 3.68Å; E580-W584 VanDerWaalsContact O-CB 3.31Å; E580-W584 WeakPolarHBondContact O-CB 3.02Å; E580-W584 VanDerWaalsContact O-CD1 3.23Å; E580-W584 PolarHBondContact O-N 3.22Å; W584-K586 VanDerWaalsContact C-N 3.34Å; W584-K586 PolarHBondContact O-N 3.49Å; W584-L588 HydrophobicContact CE3-CD1 4.29Å; W584-L588 HydrophobicContact CE3-CG 4.34Å; W584-L588 WeakPolarHBondContact O-CB 3.5Å; W584-L588 WeakPolarHBondContact O-CD1 3.41Å; W584-L588 VanDerWaalsContact O-CG 3.24Å; W584-L588 WeakPolarHBondContact O-CG 3.22Å; W584-L588 PolarHBondContact O-N 3.22Å
585K97.6Very high96Very high64 Ų6447.5 Ų47.528%0.27824%0.241SC..Hα-helixtrans-61.6-44.3178.4-175.5-176.8177.1-168.60111.2E552 I561 F581 Q583 N589E552-K585 IonicContact OE2-NZ 3.36Å; E552-K585 PolarHBondContact OE2-NZ 3.49Å; I561-K585 HydrophobicContact CD1-CB 3.99Å; I561-K585 HydrophobicContact CG1-CB 4.21Å; F581-K585 HydrophobicContact CE1-CD 4.21Å; F581-K585 HydrophobicContact CZ-CD 3.94Å; F581-K585 WeakPolarHBondContact O-CB 3.48Å; F581-K585 PolarHBondContact O-N 3.03Å; Q583-K585 PolarHBondContact O-N 3.34Å; K585-N589 VanDerWaalsContact O-CB 3.28Å; K585-N589 WeakPolarHBondContact O-CB 3.43Å; K585-N589 PolarHBondContact O-N 3.07Å; K585-N589 VanDerWaalsContact O-N 3.15Å
586K97.6Very high95.6Very high99 Ų9949.4 Ų49.443%0.4325%0.249SC..Hα-helixtrans-61.2-57.3177.7-178.6-169.3168.6-156.80111.1V582 Q583 W584 L588 N589 E590V582-K586 WeakPolarHBondContact O-CB 3.25Å; V582-K586 PolarHBondContact O-N 3.17Å; V582-K586 VanDerWaalsContact O-N 3.08Å; Q583-K586 PolarHBondContact O-N 3Å; W584-K586 VanDerWaalsContact C-N 3.34Å; W584-K586 PolarHBondContact O-N 3.49Å; K586-L588 PolarHBondContact O-N 3.44Å; K586-N589 PolarHBondContact O-N 3.4Å; K586-N589 VanDerWaalsContact O-N 3.09Å; K586-E590 WeakPolarHBondContact CE-OE1 3.38Å; K586-E590 WeakPolarHBondContact CG-OE1 3.49Å; K586-E590 IonicContact NZ-OE1 2.72Å; K586-E590 WeakPolarHBondContact O-CG 3.47Å; K586-E590 PolarHBondContact O-N 3.28Å
587E98Very high95.5Very high30 Ų3049.8 Ų49.814%0.1425%0.25CC..Hα-helixtrans-65.2-37.2-174.6-62.7-58.314700112.4M489 L511 Q583 N589 E590 A591M489-E587 HydrophobicContact CE-CB 4.19Å; M489-E587 HydrophobicContact CE-CG 4.17Å; M489-E587 HydrophobicContact SD-CG 4.38Å; L511-E587 HydrophobicContact CD2-CB 3.64Å; Q583-E587 HydrophobicContact CG-CG 4.36Å; Q583-E587 PolarHBondContact NE2-OE1 3.29Å; Q583-E587 WeakPolarHBondContact O-CG 3.38Å; Q583-E587 PolarHBondContact O-N 3.15Å; E587-N589 VanDerWaalsContact C-N 3.34Å; E587-N589 PolarHBondContact O-N 3.41Å; E587-E590 PolarHBondContact O-N 2.97Å; E587-A591 VanDerWaalsContact O-CB 3.22Å; E587-A591 WeakPolarHBondContact O-CB 3.38Å; E587-A591 PolarHBondContact O-N 3.12Å
588L97.4Very high95.1Very high1 Ų155 Ų551%0.00528%0.276CS..Hα-helixtrans-62.9-41173.2-77.9166.3000111.9L511 M544 V550 I561 L563 L573 W584 K586 F592L511-L588 HydrophobicContact CD1-CD2 3.83Å; M544-L588 HydrophobicContact CE-CD2 4.49Å; V550-L588 HydrophobicContact CG1-CB 4.14Å; I561-L588 HydrophobicContact CD1-CD1 4.26Å; I561-L588 HydrophobicContact CG2-CD1 4.22Å; L563-L588 HydrophobicContact CD2-CD1 4.45Å; L573-L588 HydrophobicContact CD1-CD1 4.44Å; W584-L588 HydrophobicContact CE3-CD1 4.29Å; W584-L588 HydrophobicContact CE3-CG 4.34Å; W584-L588 WeakPolarHBondContact O-CB 3.5Å; W584-L588 WeakPolarHBondContact O-CD1 3.41Å; W584-L588 VanDerWaalsContact O-CG 3.24Å; W584-L588 WeakPolarHBondContact O-CG 3.22Å; W584-L588 PolarHBondContact O-N 3.22Å; K586-L588 PolarHBondContact O-N 3.44Å; L588-F592 WeakPolarHBondContact O-CB 3.21Å; L588-F592 PolarHBondContact O-N 3.22Å
589N96.6Very high94.4Very high75 Ų7555 Ų5540%0.40128%0.276SS..Hα-helixtrans-71.2-39-179.6-163.325.2000111.8K585 K586 E587 T593K585-N589 VanDerWaalsContact O-CB 3.28Å; K585-N589 WeakPolarHBondContact O-CB 3.43Å; K585-N589 PolarHBondContact O-N 3.07Å; K585-N589 VanDerWaalsContact O-N 3.15Å; K586-N589 PolarHBondContact O-N 3.4Å; K586-N589 VanDerWaalsContact O-N 3.09Å; E587-N589 VanDerWaalsContact C-N 3.34Å; E587-N589 PolarHBondContact O-N 3.41Å; N589-T593 VanDerWaalsContact O-CB 3.27Å; N589-T593 WeakPolarHBondContact O-CB 3.35Å; N589-T593 PolarHBondContact O-N 3.37Å; N589-T593 PolarHBondContact O-OG1 3.44Å
590E96.8Very high93.7Very high93 Ų9363 Ų6344%0.43530%0.301SS..Hα-helixtrans-65.9-49.8175.1-72.6-178.6-171.400111.4K586 E587 F592 T593 E594K586-E590 WeakPolarHBondContact CE-OE1 3.38Å; K586-E590 WeakPolarHBondContact CG-OE1 3.49Å; K586-E590 IonicContact NZ-OE1 2.72Å; K586-E590 WeakPolarHBondContact O-CG 3.47Å; K586-E590 PolarHBondContact O-N 3.28Å; E587-E590 PolarHBondContact O-N 2.97Å; E590-F592 VanDerWaalsContact C-N 3.34Å; E590-F592 PolarHBondContact O-N 3.23Å; E590-T593 PolarHBondContact O-N 2.9Å; E590-E594 PolarHBondContact O-N 3.41Å
591A96.1Very high93Very high9 Ų970.7 Ų70.77%0.07433%0.328CS..Hα-helixtrans-59.4-43.6176.200000111.9I488 L511 M544 E587 A595I488-A591 HydrophobicContact CD1-CB 4.22Å; L511-A591 HydrophobicContact CD1-CB 4.27Å; M544-A591 HydrophobicContact CE-CB 3.94Å; M544-A591 HydrophobicContact SD-CB 4.37Å; E587-A591 VanDerWaalsContact O-CB 3.22Å; E587-A591 WeakPolarHBondContact O-CB 3.38Å; E587-A591 PolarHBondContact O-N 3.12Å; A591-A595 WeakPolarHBondContact O-CB 3.45Å; A591-A595 PolarHBondContact O-N 3.19Å
592F95.1Very high91.7Very high30 Ų3072.5 Ų72.513%0.13235%0.345CS..Hα-helixtrans-59.5-50.6174.1169.7-110.4000111.5M544 I547 V548 V550 L588 E590 E594 A595 Q596M544-F592 HydrophobicContact SD-CB 4.29Å; I547-F592 HydrophobicContact CB-CD2 3.91Å; I547-F592 HydrophobicContact CB-CE2 4.08Å; I547-F592 HydrophobicContact CG2-CD2 3.72Å; I547-F592 HydrophobicContact CG2-CE2 3.89Å; I547-F592 HydrophobicContact CG2-CG 4.33Å; I547-F592 VanDerWaalsContact O-CE2 3.31Å; I547-F592 WeakPolarHBondContact O-CE2 3.5Å; V548-F592 VanDerWaalsContact O-CZ 3.27Å; V548-F592 WeakPolarHBondContact O-CZ 3.45Å; V550-F592 HydrophobicContact CG2-CB 4.2Å; V550-F592 HydrophobicContact CG2-CD1 4.42Å; V550-F592 HydrophobicContact CG2-CG 4.33Å; L588-F592 WeakPolarHBondContact O-CB 3.21Å; L588-F592 PolarHBondContact O-N 3.22Å; E590-F592 VanDerWaalsContact C-N 3.34Å; E590-F592 PolarHBondContact O-N 3.23Å; F592-E594 PolarHBondContact O-N 3.03Å; F592-A595 PolarHBondContact O-N 3.42Å; F592-Q596 HydrophobicContact CD2-CG 3.95Å; F592-Q596 HydrophobicContact CE1-CG 4.42Å; F592-Q596 HydrophobicContact CE2-CG 3.54Å; F592-Q596 HydrophobicContact CZ-CG 3.82Å; F592-Q596 VanDerWaalsContact O-CG 3.24Å; F592-Q596 WeakPolarHBondContact O-CG 3.32Å; F592-Q596 PolarHBondContact O-N 2.93Å
593T94.3Very high89.8Confident53 Ų5372.8 Ų72.833%0.32535%0.349SS..Hα-helixtrans-62.6-45.2-176.7-61.30000111.9N589 E590 Q596 K597N589-T593 VanDerWaalsContact O-CB 3.27Å; N589-T593 WeakPolarHBondContact O-CB 3.35Å; N589-T593 PolarHBondContact O-N 3.37Å; N589-T593 PolarHBondContact O-OG1 3.44Å; E590-T593 PolarHBondContact O-N 2.9Å; T593-Q596 PolarHBondContact O-N 3.14Å; T593-K597 HydrophobicContact CG2-CD 4.47Å; T593-K597 WeakPolarHBondContact O-CG 3.45Å; T593-K597 PolarHBondContact O-N 3.29Å
594E93.9Very high87.9Confident97 Ų9779 Ų7945%0.45338%0.375SS..Hα-helixtrans-68.5-40.8178.3-70.7-53.113400112.2E590 F592 Q596 K597 L598E590-E594 PolarHBondContact O-N 3.41Å; F592-E594 PolarHBondContact O-N 3.03Å; E594-Q596 VanDerWaalsContact C-N 3.32Å; E594-Q596 PolarHBondContact O-N 2.81Å; E594-K597 WeakPolarHBondContact O-CB 3.33Å; E594-K597 PolarHBondContact O-N 2.76Å; E594-K597 WeakPolarHBondContact OE1-CD 3.31Å; E594-K597 IonicContact OE1-NZ 3.91Å; E594-K597 PolarHBondContact OE1-NZ 3.36Å; E594-L598 WeakPolarHBondContact O-CG 3.42Å; E594-L598 PolarHBondContact O-N 2.89Å
595A90.7Very high85.9Confident12 Ų1284.3 Ų84.310%0.09941%0.407CS..Hα-helixtrans-59.8-42.4174.200000111.9M544 A591 F592 L598 L599M544-A595 HydrophobicContact CB-CB 3.46Å; M544-A595 VanDerWaalsContact CB-CB 3.46Å; M544-A595 HydrophobicContact CG-CB 4Å; A591-A595 WeakPolarHBondContact O-CB 3.45Å; A591-A595 PolarHBondContact O-N 3.19Å; F592-A595 PolarHBondContact O-N 3.42Å; A595-L598 PolarHBondContact O-N 2.92Å; A595-L599 WeakPolarHBondContact O-CB 3.43Å; A595-L599 VanDerWaalsContact O-CG 3.24Å; A595-L599 WeakPolarHBondContact O-CG 3.28Å; A595-L599 PolarHBondContact O-N 3.04Å
596Q87.7Confident83.8Confident50 Ų5086.7 Ų86.723%0.23442%0.422CS..Hα-helixtrans-65.8-37.4176.7-67.3-62.3-35.500112.4M544 F592 T593 E594 L599 R600M544-Q596 PolarHBondContact O-NE2 3.06Å; F592-Q596 HydrophobicContact CD2-CG 3.95Å; F592-Q596 HydrophobicContact CE1-CG 4.42Å; F592-Q596 HydrophobicContact CE2-CG 3.54Å; F592-Q596 HydrophobicContact CZ-CG 3.82Å; F592-Q596 VanDerWaalsContact O-CG 3.24Å; F592-Q596 WeakPolarHBondContact O-CG 3.32Å; F592-Q596 PolarHBondContact O-N 2.93Å; T593-Q596 PolarHBondContact O-N 3.14Å; E594-Q596 VanDerWaalsContact C-N 3.32Å; E594-Q596 PolarHBondContact O-N 2.81Å; Q596-L599 PolarHBondContact O-N 3.27Å; Q596-R600 WeakPolarHBondContact O-CG 3.49Å; Q596-R600 PolarHBondContact O-N 3.29Å; Q596-R600 VanDerWaalsContact O-N 3.12Å
597K89.8Confident81.2Confident95 Ų9585.2 Ų85.241%0.41344%0.435SS..Hα-helixtrans-62.5-44.3173.2-74.4169-178.61730111.6T593 E594 R600 R601T593-K597 HydrophobicContact CG2-CD 4.47Å; T593-K597 WeakPolarHBondContact O-CG 3.45Å; T593-K597 PolarHBondContact O-N 3.29Å; E594-K597 WeakPolarHBondContact O-CB 3.33Å; E594-K597 PolarHBondContact O-N 2.76Å; E594-K597 WeakPolarHBondContact OE1-CD 3.31Å; E594-K597 IonicContact OE1-NZ 3.91Å; E594-K597 PolarHBondContact OE1-NZ 3.36Å; K597-R600 PolarHBondContact O-N 2.65Å; K597-R601 WeakPolarHBondContact O-CG 3.35Å; K597-R601 PolarHBondContact O-N 3.26Å
598L87.9Confident78.5Confident114 Ų11494.2 Ų94.260%0.59747%0.474SS*.Hα-helixtrans-63.8-43.7177.4-73.9168.9000111.8E594 A595 R600 R601 A602E594-L598 WeakPolarHBondContact O-CG 3.42Å; E594-L598 PolarHBondContact O-N 2.89Å; A595-L598 PolarHBondContact O-N 2.92Å; L598-R600 VanDerWaalsContact C-N 3.28Å; L598-R600 PolarHBondContact O-N 3.22Å; L598-R601 PolarHBondContact O-N 2.97Å; L598-R601 VanDerWaalsContact O-N 3.1Å; L598-A602 PolarHBondContact O-N 2.9Å
599L80.2Confident75.7Confident58 Ų5897.8 Ų97.830%0.30451%0.511SS..Hα-helixtrans-59.3-37.5176.5-74.2167000112.4E545 A595 Q596E545-L599 HydrophobicContact CB-CD1 3.98Å; E545-L599 HydrophobicContact CG-CD1 3.79Å; E545-L599 HydrophobicContact CG-CD2 4.44Å; A595-L599 WeakPolarHBondContact O-CB 3.43Å; A595-L599 VanDerWaalsContact O-CG 3.24Å; A595-L599 WeakPolarHBondContact O-CG 3.28Å; A595-L599 PolarHBondContact O-N 3.04Å; Q596-L599 PolarHBondContact O-N 3.27Å
600R82.3Confident73Confident207 Ų207106.4 Ų106.478%0.78154%0.538SS*.Hα-helixtrans-68.3-36.5174.9-71176-173-170.62.9112.9Q596 K597 L598Q596-R600 WeakPolarHBondContact O-CG 3.49Å; Q596-R600 PolarHBondContact O-N 3.29Å; Q596-R600 VanDerWaalsContact O-N 3.12Å; K597-R600 PolarHBondContact O-N 2.65Å; L598-R600 VanDerWaalsContact C-N 3.28Å; L598-R600 PolarHBondContact O-N 3.22Å
601R81.8Confident69.9Low212 Ų212106.8 Ų106.880%0.856%0.556SS**Hα-helixtrans-80.4-27.5-177.2-71.8179.1178.2176.4-0113.6K597 L598K597-R601 WeakPolarHBondContact O-CG 3.35Å; K597-R601 PolarHBondContact O-N 3.26Å; L598-R601 PolarHBondContact O-N 2.97Å; L598-R601 VanDerWaalsContact O-N 3.1Å
602A68.9Low67Low49 Ų49111.2 Ų111.241%0.40559%0.593SS.*  trans-13070.3-178.700000112.9L598 K604 V605L598-A602 PolarHBondContact O-N 2.9Å; A602-K604 PolarHBondContact O-N 3.35Å; A602-K604 VanDerWaalsContact O-N 3.07Å; A602-V605 HydrophobicContact CB-CG2 4.09Å; A602-V605 PolarHBondContact O-N 3.42Å
603P58.7Low64.4Low98 Ų98116.1 Ų116.164%0.63663%0.625SS**G310 helixtrans-60.9-22.7-179-20.431.2000113.9V605P603-V605 VanDerWaalsContact C-N 3.29Å; P603-V605 PolarHBondContact O-N 3.14Å
604K56.1Low61.4Low207 Ų207119.5 Ų119.590%0.965%0.645SS**G310 helixtrans-75.4-6.7-174.8-74-174.4177.4177.80115A602 I606A602-K604 PolarHBondContact O-N 3.35Å; A602-K604 VanDerWaalsContact O-N 3.07Å; K604-I606 VanDerWaalsContact C-N 3.33Å
605V56.7Low58.9Low117 Ų117123.6 Ų123.671%0.70966%0.664SS**G310 helixtrans-75.5-22.5-178.9-177.90000111.8A602 P603A602-V605 HydrophobicContact CB-CG2 4.09Å; A602-V605 PolarHBondContact O-N 3.42Å; P603-V605 VanDerWaalsContact C-N 3.29Å; P603-V605 PolarHBondContact O-N 3.14Å
606I52.9Low56Low114 Ų114130.4 Ų130.459%0.58570%0.699SS**SBendtrans-149.291.2-175.2-49.4179.3000110.4K604K604-I606 VanDerWaalsContact C-N 3.33Å
607G43.3Very low53.3Low68 Ų68133.2 Ų133.270%0.70172%0.723SS**  trans178.643.1179.900000116.9
608K42.3Very low50.6Low220 Ų220138.2 Ų138.296%0.95775%0.745SS**  trans-13789.1156.7-85.2-166.7177.5-178.60110.5
609G38.3Very low47.9Very low76 Ų76138.5 Ų138.578%0.78475%0.754SS**  trans-143.489.216900000110.2
610R40.4Very low45.7Very low256 Ų256141.6 Ų141.697%0.96678%0.778SS**  trans74.7106.2163.8-64.3179.5171.4177.3-3.6119.4
611A30.9Very low43.4Very low100 Ų100139.9 Ų139.983%0.82678%0.783SS**  -155.8125.1127.100000111.1
612A34.7Very low41Very low103 Ų103136.5 Ų136.585%0.85179%0.786SS**  trans62.6131.9156.100000122.2
613V41.4Very low39.4Very low133 Ų133142.5 Ų142.581%0.80681%0.805SS**  trans-47132167.7174.20000112.8
614V30.4Very low38.2Very low123 Ų123149.7 Ų149.775%0.74582%0.82SS**  trans-144.3111.9147.9-177.70000107.4L616V614-L616 HydrophobicContact CG1-CD1 3.98Å; V614-L616 HydrophobicContact CG1-CG 4.49Å
615E41.2Very low37Very low183 Ų183147 Ų14786%0.85582%0.815SS**  trans-60.6131.3162-82.4-178.9141.300109.1
616L29.7Very low36.2Very low156 Ų156146 Ų14682%0.81781%0.814SS**  trans-145.2130.4160.8-100.3150.6000109.8V614V614-L616 HydrophobicContact CG1-CD1 3.98Å; V614-L616 HydrophobicContact CG1-CG 4.49Å
617S30.8Very low35.3Very low108 Ų108148.5 Ų148.576%0.75583%0.828SS**PPolyproline II helixtrans-62.2154.9-166.139.30000116.5
618K34.3Very low35Very low201 Ų201148.6 Ų148.687%0.87483%0.829SS**PPolyproline II helixtrans-50.4142.6172.4-71.8177.8176.4176.90112.6
619P31.6Very low34.6Very low120 Ų120150.3 Ų150.378%0.77985%0.848SS**PPolyproline II helixtrans-83.2144.7170.132.8-31.1000111.4
620P32.3Very low34.4Very low123 Ų123154.1 Ų154.180%0.79985%0.851SS**PPolyproline II helixtrans-82.1142.5172.632.1-29.7000111.5
621L35.6Very low34.1Very low170 Ų170148.7 Ų148.789%0.8985%0.845SS**PPolyproline II helixtrans-60.8131.9172-74147.6000111.4
622T30.6Very low34.3Very low141 Ų141151.4 Ų151.487%0.86585%0.846SS**  trans-138.9126.415246.90000111.2
623H34.9Very low34.2Very low175 Ų175154.2 Ų154.281%0.8185%0.845SS**  trans-61.2147.2172.8-86.4-93.8000112.2
624R34.4Very low33.8Very low249 Ų249155.6 Ų155.694%0.9485%0.848SS**  trans-130.3119.1150.6-96.4-174169-177.7-3.6110.7
625N31.1Very low34Very low150 Ų150157.7 Ų157.780%0.80286%0.855SS**  trans-65.6154.5170.9-86.8-13.3000112
626S39Very low33.5Very low98 Ų98155.9 Ų155.969%0.68586%0.855SS**  trans-63152.1166.845.30000114.6
627N34.5Very low33.8Very low165 Ų165155.9 Ų155.988%0.88286%0.858SS**  trans133.2128.5160.1-70.6-5.9000107.9
628G37.1Very low34Very low70 Ų70159.9 Ų159.972%0.72287%0.866SS**  cis150.7125.210.600000106.6
629L33Very low34Very low257 Ų257156.2 Ų156.2100%1.34687%0.865SS**  trans149.70156.4-89.4158.5000110.1

Retrieved 629 of 629 residues in 491.9 ms (Link to these results)

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