A0A087XX70_POEFO Loading...

Aminopeptidase NAALADL1

Aminopeptidase with broad substrate specificity. Has lower activity with substrates that have Asp or Glu in the P2' position, or Pro in the P3' position. Lacks activity with substrates that have both Pro in the P3' position and Asp or Glu in the P2' position. Lacks carboxypeptidase activity. Lacks dipeptidyl-peptidase IV type activity.

AlphaFold DB , UniProt , Accession A0A087XX70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 741 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
1M58.6Low72Confident192 Ų192116.7 Ų116.795%0.94664%0.64SS**  0-71.10-68.3-153.1-81.800114.3K3 E4 A5M1-K3 PolarHBondContact O-N 3.43Å; M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 2.73Å; M1-E4 PolarHBondContact O-N 3.44Å; M1-A5 PolarHBondContact O-N 3.15Å; M1-A5 VanDerWaalsContact O-N 3.14Å
2L63.7Low72.9Confident151 Ų151110.5 Ų110.579%0.79162%0.623SS**Hα-helixtrans-66.7-37.3-175-142.491.3000114.3L6L2-L6 PolarHBondContact O-N 3.14Å; L2-L6 VanDerWaalsContact O-N 3.15Å
3K65Low73.6Confident173 Ų173105.8 Ų105.875%0.75261%0.607SS**Hα-helixtrans-67.8-40.3176.7-99-175.1174.4-178.60113.1M1 L6 I7M1-K3 PolarHBondContact O-N 3.43Å; K3-L6 PolarHBondContact O-N 2.95Å; K3-I7 WeakPolarHBondContact O-CD1 3.38Å; K3-I7 VanDerWaalsContact O-CG1 3.27Å; K3-I7 WeakPolarHBondContact O-CG1 3.42Å; K3-I7 PolarHBondContact O-N 3.47Å
4E67.2Low74.6Confident138 Ų138103.7 Ų103.765%0.64560%0.596SS**Hα-helixtrans-70.3-38-179.4-68.8152.4154.400111.2M1 I7 G8M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 2.73Å; M1-E4 PolarHBondContact O-N 3.44Å; E4-I7 PolarHBondContact O-N 3.05Å; E4-G8 PolarHBondContact O-N 3.37Å
5A69.4Low75.3Confident58 Ų58101 Ų10148%0.47959%0.591SS.*Hα-helixtrans-62.7-43172.400000111.7M1 I7 G8 T9M1-A5 PolarHBondContact O-N 3.15Å; M1-A5 VanDerWaalsContact O-N 3.14Å; A5-I7 PolarHBondContact O-N 3.39Å; A5-G8 PolarHBondContact O-N 3.38Å; A5-T9 PolarHBondContact O-N 2.64Å; A5-T9 PolarHBondContact O-OG1 3.41Å
6L73.1Confident75.8Confident120 Ų120102.1 Ų102.163%0.62859%0.593SS**Hα-helixtrans-64.7-41.8178.9-129.7108.6000112.3L2 K3 T9 L10L2-L6 PolarHBondContact O-N 3.14Å; L2-L6 VanDerWaalsContact O-N 3.15Å; K3-L6 PolarHBondContact O-N 2.95Å; L6-T9 PolarHBondContact O-N 3.5Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 PolarHBondContact O-N 2.97Å
7I77.9Confident76.4Confident106 Ų106100.4 Ų100.454%0.54459%0.585SS.*Hα-helixtrans-66.1-43.7177.3-67.4165.6000110.4K3 E4 A5 T9 L10 C11K3-I7 WeakPolarHBondContact O-CD1 3.38Å; K3-I7 VanDerWaalsContact O-CG1 3.27Å; K3-I7 WeakPolarHBondContact O-CG1 3.42Å; K3-I7 PolarHBondContact O-N 3.47Å; E4-I7 PolarHBondContact O-N 3.05Å; A5-I7 PolarHBondContact O-N 3.39Å; I7-T9 VanDerWaalsContact C-N 3.32Å; I7-T9 PolarHBondContact O-N 3.3Å; I7-L10 PolarHBondContact O-N 2.93Å; I7-C11 WeakPolarHBondContact O-CB 3.27Å; I7-C11 PolarHBondContact O-N 3.36Å; I7-C11 PolarHBondContact O-SG 2.95Å; I7-C11 VanDerWaalsContact O-SG 3.36Å
8G76.1Confident77Confident46 Ų4699.6 Ų99.647%0.47458%0.577SS.*Hα-helixtrans-60.4-40.7175.700000112.8E4 A5 G12E4-G8 PolarHBondContact O-N 3.37Å; A5-G8 PolarHBondContact O-N 3.38Å; G8-G12 PolarHBondContact O-N 2.88Å
9T76.4Confident77.2Confident102 Ų10296.6 Ų96.663%0.62657%0.569SS**Hα-helixtrans-69-40.2178.4-38.90000111.5A5 L6 I7 G12 A13A5-T9 PolarHBondContact O-N 2.64Å; A5-T9 PolarHBondContact O-OG1 3.41Å; L6-T9 PolarHBondContact O-N 3.5Å; I7-T9 VanDerWaalsContact C-N 3.32Å; I7-T9 PolarHBondContact O-N 3.3Å; T9-G12 PolarHBondContact O-N 3.45Å; T9-A13 WeakPolarHBondContact O-CB 3.33Å; T9-A13 PolarHBondContact O-N 3.43Å
10L82.5Confident77.4Confident121 Ų12197.1 Ų97.163%0.63457%0.568SS**Hα-helixtrans-67.3-43.5177.3-157.384.6000111.5L6 I7 A13 V14L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 PolarHBondContact O-N 2.97Å; I7-L10 PolarHBondContact O-N 2.93Å; L10-A13 PolarHBondContact O-N 2.92Å; L10-V14 WeakPolarHBondContact O-CB 3.4Å; L10-V14 VanDerWaalsContact O-CG2 3.26Å; L10-V14 WeakPolarHBondContact O-CG2 3.26Å; L10-V14 PolarHBondContact O-N 3.36Å
11C81.8Confident77.5Confident77 Ų7796.5 Ų96.552%0.5256%0.562SS.*Hα-helixtrans-63.4-41.1175.2-73.60000111.9I7 V14 A15I7-C11 WeakPolarHBondContact O-CB 3.27Å; I7-C11 PolarHBondContact O-N 3.36Å; I7-C11 PolarHBondContact O-SG 2.95Å; I7-C11 VanDerWaalsContact O-SG 3.36Å; C11-V14 PolarHBondContact O-N 2.94Å; C11-A15 WeakPolarHBondContact O-CB 3.46Å; C11-A15 PolarHBondContact O-N 2.93Å
12G82.9Confident78.5Confident42 Ų4292.9 Ų92.943%0.43355%0.545SS..Hα-helixtrans-62.4-44.3174.500000112.6G8 T9 A15 L16G8-G12 PolarHBondContact O-N 2.88Å; T9-G12 PolarHBondContact O-N 3.45Å; G12-A15 PolarHBondContact O-N 2.9Å; G12-L16 WeakPolarHBondContact O-CB 3.34Å; G12-L16 PolarHBondContact O-N 2.9Å
13A82.3Confident78.8Confident50 Ų5087.4 Ų87.441%0.41353%0.525SS..Hα-helixtrans-64.5-41.3176.800000112.1T9 L10 L16 T17T9-A13 WeakPolarHBondContact O-CB 3.33Å; T9-A13 PolarHBondContact O-N 3.43Å; L10-A13 PolarHBondContact O-N 2.92Å; A13-L16 PolarHBondContact O-N 2.86Å; A13-T17 WeakPolarHBondContact O-CB 3.35Å; A13-T17 PolarHBondContact O-N 3.48Å; A13-T17 PolarHBondContact O-OG1 3.47Å
14V87.9Confident79.1Confident76 Ų7683.9 Ų83.946%0.46151%0.511SS..Hα-helixtrans-65.8-44.4176.5170.50000111L10 C11 L16 T17 I18L10-V14 WeakPolarHBondContact O-CB 3.4Å; L10-V14 VanDerWaalsContact O-CG2 3.26Å; L10-V14 WeakPolarHBondContact O-CG2 3.26Å; L10-V14 PolarHBondContact O-N 3.36Å; C11-V14 PolarHBondContact O-N 2.94Å; V14-L16 PolarHBondContact O-N 3.49Å; V14-T17 PolarHBondContact O-N 3.41Å; V14-I18 HydrophobicContact CG1-CD1 3.64Å; V14-I18 HydrophobicContact CG1-CG1 4.33Å; V14-I18 WeakPolarHBondContact O-CB 3.24Å; V14-I18 VanDerWaalsContact O-CG1 3.24Å; V14-I18 WeakPolarHBondContact O-CG1 3.4Å; V14-I18 PolarHBondContact O-N 2.85Å
15A85Confident79.3Confident63 Ų6384.8 Ų84.852%0.52151%0.514SS..Hα-helixtrans-62.7-4217700000112.1C11 G12 I18 G19C11-A15 WeakPolarHBondContact O-CB 3.46Å; C11-A15 PolarHBondContact O-N 2.93Å; G12-A15 PolarHBondContact O-N 2.9Å; A15-I18 PolarHBondContact O-N 3.29Å; A15-G19 PolarHBondContact O-N 2.65Å
16L83.7Confident79Confident118 Ų11884.9 Ų84.962%0.61852%0.52SS*.Hα-helixtrans-63.4-44.1175-173.673.1000111.4G12 A13 V14 G19 I20G12-L16 WeakPolarHBondContact O-CB 3.34Å; G12-L16 PolarHBondContact O-N 2.9Å; A13-L16 PolarHBondContact O-N 2.86Å; V14-L16 PolarHBondContact O-N 3.49Å; L16-G19 PolarHBondContact O-N 2.89Å; L16-I20 HydrophobicContact CG-CD1 4.06Å; L16-I20 VanDerWaalsContact O-CG1 3.29Å; L16-I20 WeakPolarHBondContact O-CG1 3.23Å; L16-I20 PolarHBondContact O-N 2.87Å
17T85.2Confident78.1Confident74 Ų7485 Ų8545%0.45452%0.52SS..Hα-helixtrans-65.8-42.6179.8-51.80000111.1A13 V14 I20 L21A13-T17 WeakPolarHBondContact O-CB 3.35Å; A13-T17 PolarHBondContact O-N 3.48Å; A13-T17 PolarHBondContact O-OG1 3.47Å; V14-T17 PolarHBondContact O-N 3.41Å; T17-I20 PolarHBondContact O-N 3.47Å; T17-L21 HydrophobicContact CG2-CD1 4.05Å; T17-L21 WeakPolarHBondContact O-CB 3.29Å; T17-L21 VanDerWaalsContact O-CG 3.22Å; T17-L21 WeakPolarHBondContact O-CG 3.25Å; T17-L21 PolarHBondContact O-N 2.8Å
18I87Confident76.6Confident86 Ų8687.2 Ų87.244%0.44153%0.528SS..Hα-helixtrans-63.1-42.7173.8-69.2169.7000110.3V14 A15 I20 L21 I22V14-I18 HydrophobicContact CG1-CD1 3.64Å; V14-I18 HydrophobicContact CG1-CG1 4.33Å; V14-I18 WeakPolarHBondContact O-CB 3.24Å; V14-I18 VanDerWaalsContact O-CG1 3.24Å; V14-I18 WeakPolarHBondContact O-CG1 3.4Å; V14-I18 PolarHBondContact O-N 2.85Å; A15-I18 PolarHBondContact O-N 3.29Å; I18-I20 PolarHBondContact O-N 3.34Å; I18-L21 PolarHBondContact O-N 2.81Å; I18-I22 HydrophobicContact CG2-CD1 3.57Å; I18-I22 HydrophobicContact CG2-CG1 4.17Å; I18-I22 WeakPolarHBondContact O-CB 3.4Å; I18-I22 VanDerWaalsContact O-CG1 3.25Å; I18-I22 WeakPolarHBondContact O-CG1 3.22Å; I18-I22 PolarHBondContact O-N 3.27Å
19G82Confident75.2Confident42 Ų4292.9 Ų92.943%0.43354%0.54SS..Hα-helixtrans-60.2-42.6175.100000113.1A15 L16 G23A15-G19 PolarHBondContact O-N 2.65Å; L16-G19 PolarHBondContact O-N 2.89Å; G19-G23 PolarHBondContact O-N 3.39Å
20I79.6Confident73.8Confident106 Ų10695.9 Ų95.954%0.54455%0.552SS.*Hα-helixtrans-65.6-42.5175.3-69166.2000110.9L16 T17 I18 G23 H24L16-I20 HydrophobicContact CG-CD1 4.06Å; L16-I20 VanDerWaalsContact O-CG1 3.29Å; L16-I20 WeakPolarHBondContact O-CG1 3.23Å; L16-I20 PolarHBondContact O-N 2.87Å; T17-I20 PolarHBondContact O-N 3.47Å; I18-I20 PolarHBondContact O-N 3.34Å; I20-G23 PolarHBondContact O-N 2.76Å; I20-H24 VanDerWaalsContact O-CB 3.23Å; I20-H24 WeakPolarHBondContact O-CB 3.41Å; I20-H24 PolarHBondContact O-N 3.25Å
21L80.6Confident72.4Confident85 Ų8593.7 Ų93.745%0.44555%0.547SS..Hα-helixtrans-68.5-41.4178.9-70.7168.8000111.9T17 I18 H24 F25T17-L21 HydrophobicContact CG2-CD1 4.05Å; T17-L21 WeakPolarHBondContact O-CB 3.29Å; T17-L21 VanDerWaalsContact O-CG 3.22Å; T17-L21 WeakPolarHBondContact O-CG 3.25Å; T17-L21 PolarHBondContact O-N 2.8Å; I18-L21 PolarHBondContact O-N 2.81Å; L21-H24 PolarHBondContact O-N 2.89Å; L21-F25 HydrophobicContact CB-CD2 4.49Å; L21-F25 HydrophobicContact CD2-CD2 4.15Å; L21-F25 HydrophobicContact CD2-CE2 3.76Å; L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 VanDerWaalsContact O-CD2 3.31Å; L21-F25 WeakPolarHBondContact O-CD2 3.38Å; L21-F25 PolarHBondContact O-N 3.33Å
22I78.4Confident71.2Confident116 Ų11692.8 Ų92.860%0.59555%0.545SS*.Hα-helixtrans-64-41.7173.4-68.2171.2000110.2I18 G26I18-I22 HydrophobicContact CG2-CD1 3.57Å; I18-I22 HydrophobicContact CG2-CG1 4.17Å; I18-I22 WeakPolarHBondContact O-CB 3.4Å; I18-I22 VanDerWaalsContact O-CG1 3.25Å; I18-I22 WeakPolarHBondContact O-CG1 3.22Å; I18-I22 PolarHBondContact O-N 3.27Å; I22-G26 WeakPolarHBondContact O-CA 3.19Å; I22-G26 PolarHBondContact O-N 2.89Å
23G70.7Confident70.2Confident36 Ų3694 Ų9437%0.37155%0.545SS..Hα-helixtrans-63.8-41.1174.100000113G19 I20 I27G19-G23 PolarHBondContact O-N 3.39Å; I20-G23 PolarHBondContact O-N 2.76Å; G23-I27 WeakPolarHBondContact O-CD1 3.3Å; G23-I27 VanDerWaalsContact O-CG1 3.3Å; G23-I27 WeakPolarHBondContact O-CG1 3.35Å
24H71.3Confident69.4Low100 Ų10095.9 Ų95.946%0.46356%0.555SS.*Hα-helixtrans-73.9-35.9-177.8-168.785.6000113.5I20 L21I20-H24 VanDerWaalsContact O-CB 3.23Å; I20-H24 WeakPolarHBondContact O-CB 3.41Å; I20-H24 PolarHBondContact O-N 3.25Å; L21-H24 PolarHBondContact O-N 2.89Å
25F71.9Confident68.5Low157 Ų15799.8 Ų99.869%0.68956%0.562SS**Hα-helixtrans-105.5-15.7-175.6-68.7-74.5000114.2L21L21-F25 HydrophobicContact CB-CD2 4.49Å; L21-F25 HydrophobicContact CD2-CD2 4.15Å; L21-F25 HydrophobicContact CD2-CE2 3.76Å; L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 VanDerWaalsContact O-CD2 3.31Å; L21-F25 WeakPolarHBondContact O-CD2 3.38Å; L21-F25 PolarHBondContact O-N 3.33Å
26G62Low67.8Low60 Ų6099.4 Ų99.462%0.61955%0.553SS**Hα-helixtrans-84.1-20.9175.300000113.8I22 Q28I22-G26 WeakPolarHBondContact O-CA 3.19Å; I22-G26 PolarHBondContact O-N 2.89Å; G26-Q28 PolarHBondContact O-N 2.76Å
27I54.1Low67.3Low122 Ų12299.1 Ų99.163%0.62655%0.552SS**SBendtrans-81.9105168.6-59.7172.5000107.2G23 K29G23-I27 WeakPolarHBondContact O-CD1 3.3Å; G23-I27 VanDerWaalsContact O-CG1 3.3Å; G23-I27 WeakPolarHBondContact O-CG1 3.35Å; I27-K29 PolarHBondContact O-N 3.36Å
28Q46.7Very low66.8Low153 Ų15399.8 Ų99.872%0.71555%0.553SS**  trans-55.7112.6169.2-82.5-176.8-20.900109G26 N30G26-Q28 PolarHBondContact O-N 2.76Å; Q28-N30 PolarHBondContact O-N 3.01Å
29K48Very low66.6Low164 Ų16496.7 Ų96.771%0.71354%0.538SS*.THydrogen-bonded Turntrans-64.54.2-179.9-95.1178.4175.1171.60115.3I27I27-K29 PolarHBondContact O-N 3.36Å
30N46.7Very low66.7Low165 Ų16596.5 Ų96.588%0.88253%0.532SS*.THydrogen-bonded Turntrans-133.219.6-168.8-84.1-3.9000116Q28Q28-N30 PolarHBondContact O-N 3.01Å
31S51.8Low67.2Low75 Ų7596.8 Ų96.852%0.52453%0.529SS..  trans-130.795.1164.5460000109
32A58.2Low67.8Low58 Ų5897 Ų9748%0.47953%0.531SS..  trans-49.9136.9163.300000108.1V36A32-V36 HydrophobicContact CB-CB 4.09Å; A32-V36 HydrophobicContact CB-CG1 4.23Å; A32-V36 HydrophobicContact CB-CG2 4.33Å
33P61.9Low68.6Low69 Ų6992.2 Ų92.245%0.44851%0.507SS..  trans-50.9145.1175.5-27.334.2000110.9W35 V36P33-W35 HydrophobicContact CB-CG 4.09Å; P33-W35 PolarHBondContact O-N 3.23Å; P33-V36 HydrophobicContact CB-CG2 4.34Å; P33-V36 HydrophobicContact CG-CG2 4.41Å; P33-V36 WeakPolarHBondContact O-CB 3.29Å; P33-V36 PolarHBondContact O-N 3.06Å
34S65.4Low69.7Low89 Ų8993.5 Ų93.562%0.62251%0.506SS*.Hα-helixtrans-52.7-33.8-176.858.80000113.3V36 N37 D38S34-V36 PolarHBondContact O-N 2.7Å; S34-N37 WeakPolarHBondContact O-CB 3.4Å; S34-N37 PolarHBondContact O-N 3.28Å; S34-N37 VanDerWaalsContact O-N 3.1Å; S34-D38 PolarHBondContact O-N 3.19Å
35W68.6Low71Confident158 Ų15891.7 Ų91.760%0.59850%0.497SS*.Hα-helixtrans-60.6-27.3177.169.9-102.3000113.6P33 N37 D38 V39P33-W35 HydrophobicContact CB-CG 4.09Å; P33-W35 PolarHBondContact O-N 3.23Å; W35-N37 VanDerWaalsContact C-N 3.34Å; W35-D38 PolarHBondContact O-N 3.33Å; W35-V39 HydrophobicContact CE3-CG2 4.05Å; W35-V39 WeakPolarHBondContact O-CG2 3.35Å; W35-V39 PolarHBondContact O-N 2.9Å
36V69.8Low72.2Confident55 Ų5587.3 Ų87.333%0.33349%0.49SS..Hα-helixtrans-66.9-39.5177.1179.80000110.5A32 P33 S34 A40A32-V36 HydrophobicContact CB-CB 4.09Å; A32-V36 HydrophobicContact CB-CG1 4.23Å; A32-V36 HydrophobicContact CB-CG2 4.33Å; P33-V36 HydrophobicContact CB-CG2 4.34Å; P33-V36 HydrophobicContact CG-CG2 4.41Å; P33-V36 WeakPolarHBondContact O-CB 3.29Å; P33-V36 PolarHBondContact O-N 3.06Å; S34-V36 PolarHBondContact O-N 2.7Å; V36-A40 PolarHBondContact O-N 3.45Å
37N72.8Confident73.9Confident112 Ų11285 Ų8560%0.59946%0.463SS*.Hα-helixtrans-69.3-37.3175.3-63.2-25.9000111.1S34 W35 V39 A40 K41S34-N37 WeakPolarHBondContact O-CB 3.4Å; S34-N37 PolarHBondContact O-N 3.28Å; S34-N37 VanDerWaalsContact O-N 3.1Å; W35-N37 VanDerWaalsContact C-N 3.34Å; N37-V39 VanDerWaalsContact C-N 3.34Å; N37-V39 PolarHBondContact O-N 2.87Å; N37-A40 PolarHBondContact O-N 3.3Å; N37-K41 PolarHBondContact O-N 2.88Å
38D76.1Confident76Confident87 Ų8779.2 Ų79.247%0.46543%0.434SS..Hα-helixtrans-66.1-36.3178.7-62.4-31.4000112.1S34 W35 A40 K41S34-D38 PolarHBondContact O-N 3.19Å; W35-D38 PolarHBondContact O-N 3.33Å; D38-A40 VanDerWaalsContact C-N 3.34Å; D38-A40 PolarHBondContact O-N 2.88Å; D38-K41 PolarHBondContact O-N 2.89Å
39V82.3Confident78.5Confident22 Ų2278.9 Ų78.913%0.13343%0.43CS..Hα-helixtrans-72.1-27.5-179.3176.40000112.6W35 N37 V360 R408 L587 P653W35-V39 HydrophobicContact CE3-CG2 4.05Å; W35-V39 WeakPolarHBondContact O-CG2 3.35Å; W35-V39 PolarHBondContact O-N 2.9Å; N37-V39 VanDerWaalsContact C-N 3.34Å; N37-V39 PolarHBondContact O-N 2.87Å; V39-V360 HydrophobicContact CB-CG1 4.47Å; V39-V360 HydrophobicContact CG1-CG1 4.38Å; V39-V360 HydrophobicContact CG2-CG1 3.97Å; V39-R408 PolarHBondContact O-NH1 2.93Å; V39-L587 WeakPolarHBondContact O-CD1 3.2Å; V39-P653 HydrophobicContact CB-CG 4.48Å; V39-P653 HydrophobicContact CG1-CB 3.46Å; V39-P653 VanDerWaalsContact CG1-CB 3.46Å; V39-P653 HydrophobicContact CG1-CG 3.33Å
40A84.6Confident80.8Confident37 Ų3773.8 Ų73.831%0.30641%0.408SS..Hα-helixtrans-92-5177.400000113.7V36 N37 D38 A649V36-A40 PolarHBondContact O-N 3.45Å; N37-A40 PolarHBondContact O-N 3.3Å; D38-A40 VanDerWaalsContact C-N 3.34Å; D38-A40 PolarHBondContact O-N 2.88Å; A40-A649 VanDerWaalsContact CB-O 3.3Å; A40-A649 WeakPolarHBondContact CB-O 3.5Å
41K88.9Confident83.3Confident112 Ų11265.9 Ų65.949%0.48737%0.366SS..PPolyproline II helixtrans-71.6131.7-176.2-167.5178.2177.4-172.40110.9N37 D38N37-K41 PolarHBondContact O-N 2.88Å; D38-K41 PolarHBondContact O-N 2.89Å
42D93.3Very high85.6Confident89 Ų8963.3 Ų63.348%0.47635%0.346SS..PPolyproline II helixtrans-94.6171.3169.6-163.915.8000110.9D44 S586 L587D42-D44 PolarHBondContact O-N 3.24Å; D42-S586 WeakPolarHBondContact OD1-CA 3.33Å; D42-L587 HydrophobicContact CB-CB 4.03Å; D42-L587 PolarHBondContact OD1-N 2.77Å
43V94.9Very high87.5Confident17 Ų1764.5 Ų64.510%0.10335%0.351CS..PPolyproline II helixtrans-53.4135.4-179.864.60000111.8I48 I581 D585 S586V43-I48 HydrophobicContact CG2-CD1 3.78Å; V43-I48 HydrophobicContact CG2-CG1 4.37Å; V43-I581 HydrophobicContact CG2-CG2 3.97Å; V43-D585 HydrophobicContact CB-CB 4.39Å; V43-D585 HydrophobicContact CG2-CB 4.19Å; V43-S586 WeakPolarHBondContact CB-OG 3.47Å; V43-S586 VanDerWaalsContact CG1-OG 3.25Å; V43-S586 WeakPolarHBondContact CG1-OG 3.16Å
44D95.4Very high89.2Confident63 Ų6362.8 Ų62.834%0.33734%0.338SS..  trans-89109.4180-170.4-20000111.1D42 A46 L47 I48D42-D44 PolarHBondContact O-N 3.24Å; D44-A46 PolarHBondContact O-N 3.47Å; D44-A46 WeakPolarHBondContact OD1-CA 3.33Å; D44-A46 VanDerWaalsContact OD1-CB 3.26Å; D44-A46 WeakPolarHBondContact OD1-CB 3.41Å; D44-A46 PolarHBondContact OD1-N 2.95Å; D44-L47 HydrophobicContact CB-CB 3.91Å; D44-L47 WeakPolarHBondContact O-CB 3.44Å; D44-L47 PolarHBondContact O-N 3.44Å; D44-L47 VanDerWaalsContact O-N 3.14Å; D44-L47 PolarHBondContact OD1-N 3.07Å; D44-I48 PolarHBondContact O-N 2.91Å; D44-I48 VanDerWaalsContact O-N 3.16Å
45E97.2Very high90.8Very high62 Ų6258.7 Ų58.729%0.2931%0.308SS..Hα-helixtrans-63.8-25.3177.5-69.5-71.2163.300113K49 Q475 R582E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3.19Å; E45-K49 VanDerWaalsContact O-N 3.13Å; E45-Q475 PolarHBondContact OE2-NE2 3.47Å; E45-R582 VanDerWaalsContact CD-NH2 3.3Å; E45-R582 IonicContact OE1-CZ 3.06Å; E45-R582 VanDerWaalsContact OE1-CZ 3.25Å; E45-R582 IonicContact OE1-NH1 3.61Å; E45-R582 PolarHBondContact OE1-NH1 3.43Å; E45-R582 IonicContact OE1-NH2 2.8Å; E45-R582 PolarHBondContact OE1-NH2 3.15Å; E45-R582 IonicContact OE2-NH2 3.17Å; E45-R582 PolarHBondContact OE2-NH2 2.83Å
46A97.7Very high92.2Very high64 Ų6455.4 Ų55.453%0.52930%0.3SS..Hα-helixtrans-71.5-36.7174.600000111.2D44 K49 Q50D44-A46 PolarHBondContact O-N 3.47Å; D44-A46 WeakPolarHBondContact OD1-CA 3.33Å; D44-A46 VanDerWaalsContact OD1-CB 3.26Å; D44-A46 WeakPolarHBondContact OD1-CB 3.41Å; D44-A46 PolarHBondContact OD1-N 2.95Å; A46-K49 PolarHBondContact O-N 3.24Å; A46-Q50 PolarHBondContact O-N 3.37Å
47L97.4Very high93.6Very high12 Ų1254.6 Ų54.66%0.06330%0.295CS..Hα-helixtrans-62.2-45.9172.5178.578.3000111.2D44 K49 Q50 F51 M399 W405 I581D44-L47 HydrophobicContact CB-CB 3.91Å; D44-L47 WeakPolarHBondContact O-CB 3.44Å; D44-L47 PolarHBondContact O-N 3.44Å; D44-L47 VanDerWaalsContact O-N 3.14Å; D44-L47 PolarHBondContact OD1-N 3.07Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.48Å; L47-Q50 WeakPolarHBondContact O-CB 3.42Å; L47-Q50 PolarHBondContact O-N 3.35Å; L47-Q50 VanDerWaalsContact O-N 3.14Å; L47-F51 PolarHBondContact O-N 3.28Å; L47-M399 HydrophobicContact CD1-SD 3.78Å; L47-W405 HydrophobicContact CD1-CB 3.7Å; L47-W405 HydrophobicContact CD1-CG 3.95Å; L47-W405 HydrophobicContact CD2-CB 4.21Å; L47-W405 HydrophobicContact CD2-CD2 4.04Å; L47-W405 HydrophobicContact CD2-CG 3.54Å; L47-W405 VanDerWaalsContact CD2-NE1 3.3Å; L47-W405 HydrophobicContact CG-CG 4.38Å; L47-I581 HydrophobicContact CD2-CG2 4.27Å
48I98.4Very high94.8Very high1 Ų155.4 Ų55.41%0.00530%0.299CS..Hα-helixtrans-57.5-47.8176.9-68.8173.4000109.9V43 D44 Q50 F51 L52 N578 I581 R582V43-I48 HydrophobicContact CG2-CD1 3.78Å; V43-I48 HydrophobicContact CG2-CG1 4.37Å; D44-I48 PolarHBondContact O-N 2.91Å; D44-I48 VanDerWaalsContact O-N 3.16Å; I48-Q50 VanDerWaalsContact C-N 3.3Å; I48-Q50 PolarHBondContact O-N 3.4Å; I48-F51 WeakPolarHBondContact O-CB 3.44Å; I48-F51 PolarHBondContact O-N 3.12Å; I48-L52 HydrophobicContact CG2-CD1 3.96Å; I48-L52 HydrophobicContact CG2-CG 4.2Å; I48-L52 VanDerWaalsContact O-CG 3.22Å; I48-L52 WeakPolarHBondContact O-CG 3.45Å; I48-L52 PolarHBondContact O-N 2.87Å; I48-N578 HydrophobicContact CG2-CB 4.39Å; I48-N578 WeakPolarHBondContact CG2-ND2 3.5Å; I48-I581 HydrophobicContact CD1-CG2 4.37Å; I48-I581 HydrophobicContact CG1-CB 4.44Å; I48-I581 HydrophobicContact CG1-CD1 4.5Å; I48-I581 HydrophobicContact CG1-CG2 3.86Å; I48-R582 HydrophobicContact CD1-CG 3.97Å
49K98.3Very high95.8Very high145 Ų14554 Ų5463%0.6329%0.29SS*.Hα-helixtrans-58.6-41.5176.5-72.2174-176.4178.10112.6E45 A46 L47 L52 S53E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3.19Å; E45-K49 VanDerWaalsContact O-N 3.13Å; A46-K49 PolarHBondContact O-N 3.24Å; L47-K49 VanDerWaalsContact C-N 3.32Å; L47-K49 PolarHBondContact O-N 3.48Å; K49-L52 PolarHBondContact O-N 2.87Å; K49-S53 PolarHBondContact O-N 3.41Å; K49-S53 VanDerWaalsContact O-N 3.11Å
50Q98.3Very high96.6Very high57 Ų5753 Ų5327%0.26628%0.283SS..Hα-helixtrans-62.3-48.3175.5-170.2-171.5-24.900110.8A46 L47 I48 L52 S53 E54 M399A46-Q50 PolarHBondContact O-N 3.37Å; L47-Q50 WeakPolarHBondContact O-CB 3.42Å; L47-Q50 PolarHBondContact O-N 3.35Å; L47-Q50 VanDerWaalsContact O-N 3.14Å; I48-Q50 VanDerWaalsContact C-N 3.3Å; I48-Q50 PolarHBondContact O-N 3.4Å; Q50-L52 PolarHBondContact O-N 3.01Å; Q50-S53 PolarHBondContact O-N 3.35Å; Q50-S53 VanDerWaalsContact O-N 3.12Å; Q50-S53 PolarHBondContact O-OG 3.19Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.25Å; Q50-E54 PolarHBondContact NE2-OE1 2.82Å; Q50-E54 PolarHBondContact O-N 3.49Å; Q50-E54 VanDerWaalsContact O-N 3.12Å; Q50-M399 HydrophobicContact CB-CE 4.19Å; Q50-M399 HydrophobicContact CG-CE 3.82Å
51F98.8Very high97.3Very high0 Ų053.7 Ų53.70%028%0.28CS..Hα-helixtrans-55.5-50.6177.1167.1-94.9000111.2L47 I48 S53 E54 V55 I392 V395 L396 M399 I581L47-F51 PolarHBondContact O-N 3.28Å; I48-F51 WeakPolarHBondContact O-CB 3.44Å; I48-F51 PolarHBondContact O-N 3.12Å; F51-S53 PolarHBondContact O-N 3.1Å; F51-E54 PolarHBondContact O-N 2.95Å; F51-V55 HydrophobicContact CE1-CG2 4Å; F51-V55 HydrophobicContact CE2-CG2 4.11Å; F51-V55 HydrophobicContact CZ-CG2 3.71Å; F51-V55 PolarHBondContact O-N 3.03Å; F51-I392 HydrophobicContact CE2-CG2 4.38Å; F51-I392 HydrophobicContact CZ-CG1 4.19Å; F51-I392 HydrophobicContact CZ-CG2 4.42Å; F51-V395 HydrophobicContact CD2-CB 4.17Å; F51-V395 HydrophobicContact CD2-CG1 3.58Å; F51-V395 HydrophobicContact CE2-CB 4.14Å; F51-V395 HydrophobicContact CE2-CG1 4.06Å; F51-L396 HydrophobicContact CD2-CD2 3.66Å; F51-L396 HydrophobicContact CD2-CG 4.2Å; F51-L396 HydrophobicContact CE2-CD2 4Å; F51-L396 HydrophobicContact CE2-CG 4.06Å; F51-M399 HydrophobicContact CB-CE 4.08Å; F51-I581 HydrophobicContact CB-CD1 3.79Å; F51-I581 HydrophobicContact CD1-CD1 3.84Å; F51-I581 HydrophobicContact CD2-CD1 4.08Å; F51-I581 HydrophobicContact CG-CD1 3.6Å
52L98.6Very high97.8Very high20 Ų2052.1 Ų52.111%0.10528%0.275CS..Hα-helixtrans-56.4-38.9178.9-66.1176.7000111.8I48 K49 Q50 E54 Q475 V476 R574 N578I48-L52 HydrophobicContact CG2-CD1 3.96Å; I48-L52 HydrophobicContact CG2-CG 4.2Å; I48-L52 VanDerWaalsContact O-CG 3.22Å; I48-L52 WeakPolarHBondContact O-CG 3.45Å; I48-L52 PolarHBondContact O-N 2.87Å; K49-L52 PolarHBondContact O-N 2.87Å; Q50-L52 PolarHBondContact O-N 3.01Å; L52-E54 VanDerWaalsContact C-N 3.34Å; L52-Q475 HydrophobicContact CD1-CB 4.47Å; L52-V476 HydrophobicContact CD2-CG2 3.95Å; L52-R574 HydrophobicContact CD2-CB 3.5Å; L52-R574 HydrophobicContact CD2-CG 3.7Å; L52-R574 WeakPolarHBondContact CD2-O 3.35Å; L52-R574 VanDerWaalsContact O-CZ 3.3Å; L52-R574 PolarHBondContact O-NE 3.42Å; L52-R574 PolarHBondContact O-NH2 3.17Å; L52-R574 VanDerWaalsContact O-NH2 3.08Å; L52-N578 HydrophobicContact CD2-CB 4.41Å
53S98.2Very high98Very high83 Ų8347.9 Ų47.958%0.5825%0.252SS*.Hα-helixtrans-72.1-23.9178.575.50000114.4K49 Q50 F51K49-S53 PolarHBondContact O-N 3.41Å; K49-S53 VanDerWaalsContact O-N 3.11Å; Q50-S53 PolarHBondContact O-N 3.35Å; Q50-S53 VanDerWaalsContact O-N 3.12Å; Q50-S53 PolarHBondContact O-OG 3.19Å; F51-S53 PolarHBondContact O-N 3.1Å
54E98.5Very high98.2Very high34 Ų3447.1 Ų47.116%0.15925%0.247CC..Hα-helixtrans-92.8-9-176.3-72.9-168-138.600114Q50 F51 L52 E56 R394 V395 R398Q50-E54 WeakPolarHBondContact CG-OE1 3.25Å; Q50-E54 PolarHBondContact NE2-OE1 2.82Å; Q50-E54 PolarHBondContact O-N 3.49Å; Q50-E54 VanDerWaalsContact O-N 3.12Å; F51-E54 PolarHBondContact O-N 2.95Å; L52-E54 VanDerWaalsContact C-N 3.34Å; E54-E56 PolarHBondContact O-N 2.87Å; E54-R394 PolarHBondContact O-NH2 2.81Å; E54-R394 VanDerWaalsContact O-NH2 3.11Å; E54-V395 HydrophobicContact CB-CG1 3.66Å; E54-V395 HydrophobicContact CB-CG2 4.11Å; E54-V395 WeakPolarHBondContact O-CG2 3.38Å; E54-R398 IonicContact OE2-NH1 3.92Å; E54-R398 PolarHBondContact OE2-NH1 3.43Å
55V98.6Very high98.4Very high2 Ų248.6 Ų48.61%0.01225%0.248CC..  trans-73.9115.1172.2-179.90000109.6F51 L60 E391 Q570 R574F51-V55 HydrophobicContact CE1-CG2 4Å; F51-V55 HydrophobicContact CE2-CG2 4.11Å; F51-V55 HydrophobicContact CZ-CG2 3.71Å; F51-V55 PolarHBondContact O-N 3.03Å; V55-L60 HydrophobicContact CG1-CD1 4.25Å; V55-E391 WeakPolarHBondContact CA-OE1 3.25Å; V55-E391 HydrophobicContact CG1-CG 3.89Å; V55-Q570 HydrophobicContact CG1-CG 3.99Å; V55-Q570 PolarHBondContact O-NE2 3.4Å; V55-R574 HydrophobicContact CB-CG 4.11Å; V55-R574 HydrophobicContact CG1-CG 4.38Å; V55-R574 HydrophobicContact CG2-CG 4.21Å
56E98.3Very high98.4Very high89 Ų8948.5 Ų48.542%0.41625%0.247SC..  trans-109.7129.1-170.2-69.1172.1135.300113.1E54 L58 Q59 L60 E391 R394E54-E56 PolarHBondContact O-N 2.87Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.44Å; E56-Q59 HydrophobicContact CB-CB 4.22Å; E56-Q59 HydrophobicContact CB-CG 3.89Å; E56-Q59 PolarHBondContact O-N 3.5Å; E56-Q59 WeakPolarHBondContact OE2-CG 3.5Å; E56-L60 WeakPolarHBondContact O-CG 3.44Å; E56-L60 PolarHBondContact O-N 3.5Å; E56-L60 VanDerWaalsContact O-N 3.14Å; E56-E391 PolarHBondContact N-OE1 2.83Å; E56-R394 IonicContact OE2-CZ 3.25Å; E56-R394 IonicContact OE2-NH1 2.77Å; E56-R394 PolarHBondContact OE2-NH1 2.82Å; E56-R394 IonicContact OE2-NH2 3.04Å; E56-R394 PolarHBondContact OE2-NH2 3.42Å
57T98.4Very high98.5Very high39 Ų3945.6 Ų45.624%0.23922%0.223CC..Hα-helixtrans-60.7-36.3177.153.30000113Q59 L60 Q61 G565 V567 Q570T57-Q59 VanDerWaalsContact C-N 3.32Å; T57-Q59 PolarHBondContact O-N 2.95Å; T57-L60 PolarHBondContact O-N 3.3Å; T57-Q61 WeakPolarHBondContact O-CB 3.34Å; T57-Q61 PolarHBondContact O-N 3Å; T57-G565 WeakPolarHBondContact CB-O 3.42Å; T57-G565 WeakPolarHBondContact CG2-O 3.35Å; T57-V567 HydrophobicContact CG2-CG1 4.38Å; T57-Q570 HydrophobicContact CG2-CB 3.93Å; T57-Q570 HydrophobicContact CG2-CG 4.38Å
58L98.4Very high98.5Very high128 Ų12845.3 Ų45.367%0.6722%0.222SC*.Hα-helixtrans-64-37.4177.3-68.1174.9000112.3E56 E62E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.44Å; L58-E62 WeakPolarHBondContact O-CB 3.49Å; L58-E62 PolarHBondContact O-N 2.92Å
59Q98.5Very high98.5Very high59 Ų5950.9 Ų50.928%0.27625%0.246SC..Hα-helixtrans-72.4-38.3177.7-64.5-67.87.200111.6E56 T57 E62 N63 E391E56-Q59 HydrophobicContact CB-CB 4.22Å; E56-Q59 HydrophobicContact CB-CG 3.89Å; E56-Q59 PolarHBondContact O-N 3.5Å; E56-Q59 WeakPolarHBondContact OE2-CG 3.5Å; T57-Q59 VanDerWaalsContact C-N 3.32Å; T57-Q59 PolarHBondContact O-N 2.95Å; Q59-E62 PolarHBondContact O-N 3.4Å; Q59-N63 VanDerWaalsContact O-CB 3.3Å; Q59-N63 WeakPolarHBondContact O-CB 3.41Å; Q59-N63 PolarHBondContact O-N 3.06Å; Q59-N63 PolarHBondContact O-ND2 3.36Å; Q59-E391 VanDerWaalsContact CB-OE2 3.24Å; Q59-E391 WeakPolarHBondContact CB-OE2 3.47Å
60L98.8Very high98.4Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-60.3-46.5172.6-68.3164.7000111.1V55 E56 T57 N63 L64 V388 E391 F566 H569 Q570V55-L60 HydrophobicContact CG1-CD1 4.25Å; E56-L60 WeakPolarHBondContact O-CG 3.44Å; E56-L60 PolarHBondContact O-N 3.5Å; E56-L60 VanDerWaalsContact O-N 3.14Å; T57-L60 PolarHBondContact O-N 3.3Å; L60-N63 PolarHBondContact O-N 2.93Å; L60-L64 PolarHBondContact O-N 3.35Å; L60-V388 HydrophobicContact CD2-CB 4.35Å; L60-V388 HydrophobicContact CD2-CG2 3.85Å; L60-E391 HydrophobicContact CD2-CB 3.66Å; L60-E391 HydrophobicContact CD2-CG 4.06Å; L60-E391 HydrophobicContact CG-CB 4.23Å; L60-E391 HydrophobicContact CG-CG 4.16Å; L60-F566 HydrophobicContact CB-CB 4.49Å; L60-F566 HydrophobicContact CB-CD1 4.24Å; L60-H569 HydrophobicContact CB-CB 4.49Å; L60-H569 HydrophobicContact CD1-CB 4.05Å; L60-Q570 HydrophobicContact CD1-CB 3.83Å
61Q98.8Very high98.5Very high52 Ų5243.6 Ų43.624%0.24322%0.217CC..Hα-helixtrans-62-45177.3-177.5170.724.100112.3T57 L64 R65 F555 F566T57-Q61 WeakPolarHBondContact O-CB 3.34Å; T57-Q61 PolarHBondContact O-N 3Å; Q61-L64 PolarHBondContact O-N 3.07Å; Q61-R65 WeakPolarHBondContact O-CB 3.48Å; Q61-R65 PolarHBondContact O-N 3.06Å; Q61-F555 HydrophobicContact CG-CE2 4.14Å; Q61-F555 HydrophobicContact CG-CZ 3.79Å; Q61-F555 WeakPolarHBondContact O-CE2 3.31Å; Q61-F566 HydrophobicContact CB-CD1 4.1Å; Q61-F566 HydrophobicContact CB-CD2 3.65Å; Q61-F566 HydrophobicContact CB-CE1 4.15Å; Q61-F566 HydrophobicContact CB-CE2 3.74Å; Q61-F566 HydrophobicContact CB-CG 3.85Å; Q61-F566 HydrophobicContact CB-CZ 3.98Å; Q61-F566 HydrophobicContact CG-CD2 3.8Å; Q61-F566 HydrophobicContact CG-CE1 4.45Å; Q61-F566 HydrophobicContact CG-CE2 3.43Å; Q61-F566 VanDerWaalsContact CG-CE2 3.43Å; Q61-F566 HydrophobicContact CG-CG 4.47Å; Q61-F566 HydrophobicContact CG-CZ 3.79Å
62E98.7Very high98.5Very high79 Ų7943.6 Ų43.637%0.36922%0.217SC..Hα-helixtrans-69.6-40.3-179.7-170.462.3-172.800111.8L58 Q59 L64 R65 E66L58-E62 WeakPolarHBondContact O-CB 3.49Å; L58-E62 PolarHBondContact O-N 2.92Å; Q59-E62 PolarHBondContact O-N 3.4Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 2.95Å; E62-R65 PolarHBondContact O-N 2.73Å; E62-R65 IonicContact OE2-NE 3.97Å; E62-E66 WeakPolarHBondContact O-CG 3.34Å; E62-E66 PolarHBondContact O-N 3.3Å
63N98.8Very high98.4Very high0 Ų043.9 Ų43.90%022%0.219CC..Hα-helixtrans-56.9-48.9172.4-74.9-22.4000111.2Q59 L60 R65 E66 L67 Y85 R89 A387 L390Q59-N63 VanDerWaalsContact O-CB 3.3Å; Q59-N63 WeakPolarHBondContact O-CB 3.41Å; Q59-N63 PolarHBondContact O-N 3.06Å; Q59-N63 PolarHBondContact O-ND2 3.36Å; L60-N63 PolarHBondContact O-N 2.93Å; N63-R65 VanDerWaalsContact C-N 3.31Å; N63-R65 PolarHBondContact O-N 3.5Å; N63-E66 PolarHBondContact O-N 3.02Å; N63-L67 WeakPolarHBondContact O-CB 3.43Å; N63-L67 WeakPolarHBondContact O-CD1 3.43Å; N63-L67 VanDerWaalsContact O-CG 3.23Å; N63-L67 WeakPolarHBondContact O-CG 3.34Å; N63-L67 PolarHBondContact O-N 3.36Å; N63-Y85 PolarHBondContact OD1-OH 2.92Å; N63-R89 PolarHBondContact OD1-NH2 3.47Å; N63-A387 HydrophobicContact CB-CB 3.74Å; N63-A387 PolarHBondContact ND2-O 3.31Å; N63-L390 WeakPolarHBondContact ND2-CB 3.03Å
64L98.9Very high98.5Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-62.5-42179.6-177.160.4000111.3L60 Q61 E62 E66 L67 T68 A379 S383 A387 F555 A558 F566L60-L64 PolarHBondContact O-N 3.35Å; Q61-L64 PolarHBondContact O-N 3.07Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 2.95Å; L64-E66 VanDerWaalsContact C-N 3.34Å; L64-E66 PolarHBondContact O-N 3Å; L64-L67 PolarHBondContact O-N 3.28Å; L64-T68 HydrophobicContact CD1-CG2 3.64Å; L64-T68 HydrophobicContact CG-CG2 4.24Å; L64-T68 WeakPolarHBondContact O-CB 3.38Å; L64-T68 WeakPolarHBondContact O-CG2 3.45Å; L64-T68 PolarHBondContact O-N 3.48Å; L64-T68 VanDerWaalsContact O-N 3.15Å; L64-T68 PolarHBondContact O-OG1 2.73Å; L64-A379 HydrophobicContact CD1-CB 4.35Å; L64-A379 WeakPolarHBondContact CD1-O 2.93Å; L64-S383 VanDerWaalsContact CD1-CB 3.49Å; L64-A387 HydrophobicContact CB-CB 4.07Å; L64-F555 HydrophobicContact CB-CD2 4.41Å; L64-F555 HydrophobicContact CB-CE2 4.37Å; L64-F555 HydrophobicContact CD2-CD2 4.29Å; L64-F555 HydrophobicContact CG-CD2 4.03Å; L64-F555 HydrophobicContact CG-CE2 4.39Å; L64-A558 HydrophobicContact CD2-CB 3.82Å; L64-F566 HydrophobicContact CB-CE1 3.99Å; L64-F566 HydrophobicContact CB-CZ 4.49Å; L64-F566 HydrophobicContact CD2-CE1 3.55Å; L64-F566 HydrophobicContact CD2-CZ 3.81Å; L64-F566 HydrophobicContact CG-CE1 4.37Å
65R98.7Very high98.4Very high95 Ų9540.5 Ų40.536%0.35820%0.197SC..Hα-helixtrans-58.9-45.3176.7-174-173.2-56.6-70-1.2112Q61 E62 N63 T68 K69 F555Q61-R65 WeakPolarHBondContact O-CB 3.48Å; Q61-R65 PolarHBondContact O-N 3.06Å; E62-R65 PolarHBondContact O-N 2.73Å; E62-R65 IonicContact OE2-NE 3.97Å; N63-R65 VanDerWaalsContact C-N 3.31Å; N63-R65 PolarHBondContact O-N 3.5Å; R65-T68 PolarHBondContact O-OG1 2.89Å; R65-K69 VanDerWaalsContact O-CG 3.29Å; R65-K69 WeakPolarHBondContact O-CG 3.44Å; R65-F555 HydrophobicContact CB-CD2 3.89Å; R65-F555 HydrophobicContact CB-CE2 3.65Å; R65-F555 HydrophobicContact CB-CZ 4.18Å; R65-F555 HydrophobicContact CG-CD2 4.46Å; R65-F555 HydrophobicContact CG-CE2 4.4Å; R65-F555 VanDerWaalsContact CZ-CE1 3.45Å; R65-F555 VanDerWaalsContact CZ-CZ 3.42Å; R65-F555 VanDerWaalsContact NH2-CZ 3.25Å
66E98.6Very high98.4Very high59 Ų5941.3 Ų41.328%0.27620%0.203SC..Hα-helixtrans-66.2-43.5180-71.8-62.2135.100112.3E62 N63 L64 T68 K69 Y85E62-E66 WeakPolarHBondContact O-CG 3.34Å; E62-E66 PolarHBondContact O-N 3.3Å; N63-E66 PolarHBondContact O-N 3.02Å; L64-E66 VanDerWaalsContact C-N 3.34Å; L64-E66 PolarHBondContact O-N 3Å; E66-T68 VanDerWaalsContact C-N 3.26Å; E66-T68 PolarHBondContact O-N 3.32Å; E66-K69 VanDerWaalsContact CD-CE 3.42Å; E66-K69 WeakPolarHBondContact OE1-CE 3.29Å; E66-K69 IonicContact OE1-NZ 3.34Å; E66-K69 PolarHBondContact OE1-NZ 3.37Å; E66-K69 VanDerWaalsContact OE2-CE 3.3Å; E66-K69 WeakPolarHBondContact OE2-CE 3.35Å; E66-K69 IonicContact OE2-NZ 3.57Å; E66-K69 PolarHBondContact OE2-NZ 2.91Å; E66-Y85 HydrophobicContact CB-CE1 4.11Å; E66-Y85 HydrophobicContact CB-CE2 4.25Å; E66-Y85 HydrophobicContact CG-CE2 4.41Å
67L98.7Very high98.4Very high3 Ų341.4 Ų41.42%0.01621%0.211CC..Hα-helixtrans-64.4-31.3-179.4-71.8162.3000112.9N63 L64 H72 T82 Y85 T386 A387 L390N63-L67 WeakPolarHBondContact O-CB 3.43Å; N63-L67 WeakPolarHBondContact O-CD1 3.43Å; N63-L67 VanDerWaalsContact O-CG 3.23Å; N63-L67 WeakPolarHBondContact O-CG 3.34Å; N63-L67 PolarHBondContact O-N 3.36Å; L64-L67 PolarHBondContact O-N 3.28Å; L67-H72 PolarHBondContact O-CD2 2.93Å; L67-T82 HydrophobicContact CD2-CG2 4.26Å; L67-Y85 HydrophobicContact CD2-CD1 3.9Å; L67-Y85 HydrophobicContact CD2-CE1 4.34Å; L67-Y85 HydrophobicContact CG-CD1 4.29Å; L67-Y85 HydrophobicContact CG-CE1 4.26Å; L67-T386 HydrophobicContact CD1-CG2 3.81Å; L67-T386 HydrophobicContact CD2-CG2 3.87Å; L67-A387 HydrophobicContact CD1-CB 4.21Å; L67-L390 HydrophobicContact CD1-CD1 4.31Å
68T98.4Very high98.4Very high7 Ų739.6 Ų39.64%0.04320%0.2CC..THydrogen-bonded Turntrans-101.912.7-170.957.60000113.7L64 R65 E66 V70 H377 A379L64-T68 HydrophobicContact CD1-CG2 3.64Å; L64-T68 HydrophobicContact CG-CG2 4.24Å; L64-T68 WeakPolarHBondContact O-CB 3.38Å; L64-T68 WeakPolarHBondContact O-CG2 3.45Å; L64-T68 PolarHBondContact O-N 3.48Å; L64-T68 VanDerWaalsContact O-N 3.15Å; L64-T68 PolarHBondContact O-OG1 2.73Å; R65-T68 PolarHBondContact O-OG1 2.89Å; E66-T68 VanDerWaalsContact C-N 3.26Å; E66-T68 PolarHBondContact O-N 3.32Å; T68-V70 VanDerWaalsContact C-N 3.27Å; T68-V70 PolarHBondContact O-N 2.89Å; T68-H377 WeakPolarHBondContact CG2-O 3.47Å; T68-H377 PolarHBondContact O-CD2 3.14Å; T68-A379 VanDerWaalsContact CG2-CA 3.42Å; T68-A379 HydrophobicContact CG2-CB 3.61Å
69K97Very high98.4Very high118 Ų11833.7 Ų33.751%0.51317%0.169SC..SBendtrans-64.5-29.6-177.7-77.9-175.6173.2170.80114.4R65 E66R65-K69 VanDerWaalsContact O-CG 3.29Å; R65-K69 WeakPolarHBondContact O-CG 3.44Å; E66-K69 VanDerWaalsContact CD-CE 3.42Å; E66-K69 WeakPolarHBondContact OE1-CE 3.29Å; E66-K69 IonicContact OE1-NZ 3.34Å; E66-K69 PolarHBondContact OE1-NZ 3.37Å; E66-K69 VanDerWaalsContact OE2-CE 3.3Å; E66-K69 WeakPolarHBondContact OE2-CE 3.35Å; E66-K69 IonicContact OE2-NZ 3.57Å; E66-K69 PolarHBondContact OE2-NZ 2.91Å
70V97.4Very high98.4Very high45 Ų4533.7 Ų33.727%0.27317%0.169SC..SBendtrans-142.1154.9-176.8-64.30000108.7T68 H72T68-V70 VanDerWaalsContact C-N 3.27Å; T68-V70 PolarHBondContact O-N 2.89Å; V70-H72 PolarHBondContact O-CD2 3.26Å; V70-H72 PolarHBondContact O-N 3.48Å
71P98.6Very high98.4Very high3 Ų338.6 Ų38.62%0.01919%0.192CC..  trans-58.5136170.1-24.134.1000111.6G78 D146 Q148 V149 V376 H377P71-G78 WeakPolarHBondContact O-CA 3.34Å; P71-D146 VanDerWaalsContact CD-OD2 3.32Å; P71-D146 WeakPolarHBondContact CD-OD2 3.38Å; P71-D146 HydrophobicContact CG-CB 4.01Å; P71-Q148 HydrophobicContact CB-CB 4.05Å; P71-Q148 HydrophobicContact CG-CB 4.03Å; P71-V149 HydrophobicContact CG-CG2 3.88Å; P71-V376 CarbonylContact C-O 3.55Å; P71-V376 WeakPolarHBondContact CA-O 3.4Å; P71-V376 HydrophobicContact CB-CG1 4.16Å; P71-V376 HydrophobicContact CG-CG1 4.15Å; P71-H377 WeakPolarHBondContact CD-NE2 3.5Å
72H98.7Very high98.4Very high0 Ų036.4 Ų36.40%018%0.182CC..  trans-134.149.2-172.360.794.1000113.2L67 V70 T82 R372 D373 S374 V376 H377 S383L67-H72 PolarHBondContact O-CD2 2.93Å; V70-H72 PolarHBondContact O-CD2 3.26Å; V70-H72 PolarHBondContact O-N 3.48Å; H72-T82 HydrophobicContact CB-CG2 4.07Å; H72-R372 PolarHBondContact CE1-O 3.45Å; H72-R372 PolarHBondContact ND1-O 3.39Å; H72-D373 WeakPolarHBondContact O-CA 3.3Å; H72-S374 CarbonylContact C-O 3.58Å; H72-S374 PolarHBondContact CD2-OG 3.39Å; H72-S374 VanDerWaalsContact CE1-CB 3.41Å; H72-S374 WeakPolarHBondContact CE1-CB 3.43Å; H72-S374 PolarHBondContact CE1-OG 2.98Å; H72-S374 PolarHBondContact ND1-OG 3.19Å; H72-S374 PolarHBondContact NE2-OG 3.02Å; H72-S374 PolarHBondContact O-N 3.25Å; H72-S374 VanDerWaalsContact O-N 3.15Å; H72-V376 PolarHBondContact N-O 3.49Å; H72-H377 PolarHBondContact NE2-O 2.83Å; H72-S383 PolarHBondContact CE1-OG 3Å; H72-S383 PolarHBondContact NE2-OG 2.93Å
73M98.5Very high98.4Very high27 Ų2732.7 Ų32.713%0.13317%0.165CC..  trans-56143.4169.1-172.1-18064.300111.6T75 S76 D79 F111 V150 F153 S374 W375 F421M73-T75 PolarHBondContact O-N 2.91Å; M73-S76 PolarHBondContact N-OG 3.25Å; M73-S76 WeakPolarHBondContact O-CB 3.48Å; M73-S76 PolarHBondContact O-N 3.16Å; M73-S76 PolarHBondContact O-OG 3.44Å; M73-D79 WeakPolarHBondContact O-CB 3.34Å; M73-F111 HydrophobicContact CE-CD1 3.61Å; M73-F111 HydrophobicContact CE-CE1 3.7Å; M73-F111 HydrophobicContact SD-CD1 4.3Å; M73-F111 HydrophobicContact SD-CE1 4.36Å; M73-V150 HydrophobicContact CE-CB 4.41Å; M73-V150 HydrophobicContact CE-CG2 4.24Å; M73-V150 HydrophobicContact SD-CB 4.21Å; M73-V150 HydrophobicContact SD-CG1 4.02Å; M73-V150 HydrophobicContact SD-CG2 4.16Å; M73-F153 HydrophobicContact SD-CE1 4.49Å; M73-S374 WeakPolarHBondContact CA-O 3.5Å; M73-S374 PolarHBondContact N-O 3.46Å; M73-S374 VanDerWaalsContact N-O 3.14Å; M73-W375 HydrophobicContact SD-CE3 4.34Å; M73-W375 HydrophobicContact SD-CZ3 4.28Å; M73-F421 HydrophobicContact CG-CE2 3.93Å; M73-F421 HydrophobicContact CG-CZ 4.2Å; M73-F421 HydrophobicContact SD-CE2 4.45Å; M73-F421 HydrophobicContact SD-CZ 4.12Å
74A98.6Very high98.4Very high0 Ų037.3 Ų37.30%019%0.185CC..THydrogen-bonded Turntrans-46.7131.4-177.400000111.2S76 L109 D373 A418 F421A74-S76 PolarHBondContact O-N 2.98Å; A74-L109 HydrophobicContact CB-CD1 4.1Å; A74-D373 HydrophobicContact CB-CB 3.73Å; A74-A418 HydrophobicContact CB-CB 3.9Å; A74-F421 HydrophobicContact CB-CD2 3.69Å; A74-F421 HydrophobicContact CB-CE2 3.75Å
75T98.1Very high98.4Very high45 Ų4539.3 Ų39.328%0.27619%0.193SC..THydrogen-bonded Turntrans68.91179.878.80000116M73 D79 L109 V347 N348M73-T75 PolarHBondContact O-N 2.91Å; T75-D79 PolarHBondContact N-OD2 3.33Å; T75-L109 HydrophobicContact CG2-CD1 3.62Å; T75-V347 HydrophobicContact CG2-CB 4.33Å; T75-V347 HydrophobicContact CG2-CG2 3.74Å; T75-N348 WeakPolarHBondContact CG2-O 3.24Å
76S97.9Very high98.4Very high20 Ų2034.8 Ų34.814%0.1418%0.176CC..SBendtrans-71.7163.7172.172.90000111.9M73 A74 G78 D79 E80M73-S76 PolarHBondContact N-OG 3.25Å; M73-S76 WeakPolarHBondContact O-CB 3.48Å; M73-S76 PolarHBondContact O-N 3.16Å; M73-S76 PolarHBondContact O-OG 3.44Å; A74-S76 PolarHBondContact O-N 2.98Å; S76-G78 PolarHBondContact O-N 3.5Å; S76-G78 PolarHBondContact OG-N 3.47Å; S76-D79 PolarHBondContact O-N 3.45Å; S76-D79 PolarHBondContact OG-N 3.19Å; S76-E80 PolarHBondContact O-N 2.69Å; S76-E80 VanDerWaalsContact O-N 3.12Å
77P97.9Very high98.4Very high90 Ų9033.2 Ų33.258%0.58417%0.169SC*.Hα-helixtrans-54.7-34.6168.9-26.435.5000113.5E80 E81P77-E80 PolarHBondContact O-N 2.97Å; P77-E81 WeakPolarHBondContact O-CG 3.48Å; P77-E81 PolarHBondContact O-N 3.29Å; P77-E81 VanDerWaalsContact O-N 3.1Å
78G98.3Very high98.4Very high1 Ų140.4 Ų40.41%0.0120%0.2CC..Hα-helixtrans-66.4-40.9176.400000113.5P71 S76 E80 E81 T82P71-G78 WeakPolarHBondContact O-CA 3.34Å; S76-G78 PolarHBondContact O-N 3.5Å; S76-G78 PolarHBondContact OG-N 3.47Å; G78-E80 VanDerWaalsContact C-N 3.31Å; G78-E80 PolarHBondContact O-N 3.41Å; G78-E81 PolarHBondContact O-N 2.91Å; G78-T82 PolarHBondContact O-N 3.22Å; G78-T82 VanDerWaalsContact O-N 3.07Å
79D98.7Very high98.4Very high4 Ų442.2 Ų42.22%0.02121%0.206CC..Hα-helixtrans-62.3-39.6172.9175.330.7000111.3M73 T75 S76 E81 T82 V83 R372M73-D79 WeakPolarHBondContact O-CB 3.34Å; T75-D79 PolarHBondContact N-OD2 3.33Å; S76-D79 PolarHBondContact O-N 3.45Å; S76-D79 PolarHBondContact OG-N 3.19Å; D79-E81 VanDerWaalsContact C-N 3.3Å; D79-E81 PolarHBondContact O-N 3.17Å; D79-T82 WeakPolarHBondContact CA-OG1 3.36Å; D79-T82 PolarHBondContact O-N 3.03Å; D79-T82 VanDerWaalsContact O-N 3.16Å; D79-T82 PolarHBondContact O-OG1 2.9Å; D79-V83 WeakPolarHBondContact O-CG2 3.33Å; D79-V83 PolarHBondContact O-N 2.87Å; D79-R372 IonicContact OD1-CZ 3.71Å; D79-R372 IonicContact OD1-NE 3.8Å; D79-R372 PolarHBondContact OD1-NE 3.35Å; D79-R372 VanDerWaalsContact OD1-NE 3.08Å; D79-R372 IonicContact OD1-NH2 2.72Å; D79-R372 PolarHBondContact OD1-NH2 3.36Å; D79-R372 IonicContact OD2-NH2 2.65Å
80E98.6Very high98.5Very high59 Ų5936.7 Ų36.728%0.27618%0.182SC..Hα-helixtrans-62.4-36.5174.4-179.757.5-149.900112.7S76 P77 G78 V83 K84 R102S76-E80 PolarHBondContact O-N 2.69Å; S76-E80 VanDerWaalsContact O-N 3.12Å; P77-E80 PolarHBondContact O-N 2.97Å; G78-E80 VanDerWaalsContact C-N 3.31Å; G78-E80 PolarHBondContact O-N 3.41Å; E80-V83 PolarHBondContact O-N 3.45Å; E80-K84 WeakPolarHBondContact O-CG 3.32Å; E80-K84 PolarHBondContact O-N 3.24Å; E80-K84 VanDerWaalsContact OE1-CE 3.29Å; E80-K84 WeakPolarHBondContact OE1-CE 3.44Å; E80-R102 VanDerWaalsContact CD-NH1 3.3Å; E80-R102 IonicContact OE1-NH1 3.77Å; E80-R102 PolarHBondContact OE1-NH1 3.12Å; E80-R102 VanDerWaalsContact OE1-NH1 3.17Å; E80-R102 IonicContact OE2-CZ 2.69Å; E80-R102 IonicContact OE2-NH1 3.35Å; E80-R102 PolarHBondContact OE2-NH1 3.11Å; E80-R102 IonicContact OE2-NH2 2.71Å; E80-R102 PolarHBondContact OE2-NH2 2.81Å
81E98.4Very high98.6Very high104 Ų10440.3 Ų40.349%0.48620%0.196SC..Hα-helixtrans-67.2-37.7174.1-67.2-52.5121.600112.1P77 G78 D79 K84 Y85P77-E81 WeakPolarHBondContact O-CG 3.48Å; P77-E81 PolarHBondContact O-N 3.29Å; P77-E81 VanDerWaalsContact O-N 3.1Å; G78-E81 PolarHBondContact O-N 2.91Å; D79-E81 VanDerWaalsContact C-N 3.3Å; D79-E81 PolarHBondContact O-N 3.17Å; E81-K84 PolarHBondContact O-N 3.07Å; E81-K84 IonicContact OE1-NZ 2.79Å; E81-K84 PolarHBondContact OE1-NZ 2.78Å; E81-Y85 WeakPolarHBondContact O-CB 3.36Å; E81-Y85 PolarHBondContact O-N 3.13Å
82T98.6Very high98.6Very high6 Ų642.9 Ų42.94%0.03721%0.21CC..Hα-helixtrans-69.9-35.417563.40000111.6L67 H72 G78 D79 Y85 V86 R372L67-T82 HydrophobicContact CD2-CG2 4.26Å; H72-T82 HydrophobicContact CB-CG2 4.07Å; G78-T82 PolarHBondContact O-N 3.22Å; G78-T82 VanDerWaalsContact O-N 3.07Å; D79-T82 WeakPolarHBondContact CA-OG1 3.36Å; D79-T82 PolarHBondContact O-N 3.03Å; D79-T82 VanDerWaalsContact O-N 3.16Å; D79-T82 PolarHBondContact O-OG1 2.9Å; T82-Y85 PolarHBondContact O-N 3.44Å; T82-V86 WeakPolarHBondContact O-CG2 3.34Å; T82-V86 PolarHBondContact O-N 3.5Å; T82-R372 WeakPolarHBondContact OG1-CD 3.34Å; T82-R372 WeakPolarHBondContact OG1-CG 3.5Å; T82-R372 PolarHBondContact OG1-NE 2.95Å
83V98.9Very high98.6Very high0 Ų047.7 Ų47.70%024%0.241CC..Hα-helixtrans-56.1-51.7169.8169.10000110.8D79 E80 Y85 V86 L87 A350 V352D79-V83 WeakPolarHBondContact O-CG2 3.33Å; D79-V83 PolarHBondContact O-N 2.87Å; E80-V83 PolarHBondContact O-N 3.45Å; V83-Y85 VanDerWaalsContact C-N 3.27Å; V83-Y85 PolarHBondContact O-N 3.27Å; V83-V86 PolarHBondContact O-N 3.13Å; V83-L87 HydrophobicContact CG1-CD1 3.81Å; V83-L87 HydrophobicContact CG1-CG 4.48Å; V83-L87 WeakPolarHBondContact O-CB 3.48Å; V83-L87 PolarHBondContact O-N 3.49Å; V83-A350 HydrophobicContact CG2-CB 4.21Å; V83-V352 HydrophobicContact CB-CG2 4.18Å; V83-V352 HydrophobicContact CG1-CG2 3.65Å; V83-V352 HydrophobicContact CG2-CG2 4.24Å
84K98.8Very high98.5Very high98 Ų9853.4 Ų53.443%0.42627%0.268SS..Hα-helixtrans-60.8-39.5178.9-70.1169.1-168.71610111.4E80 E81 K88E80-K84 WeakPolarHBondContact O-CG 3.32Å; E80-K84 PolarHBondContact O-N 3.24Å; E80-K84 VanDerWaalsContact OE1-CE 3.29Å; E80-K84 WeakPolarHBondContact OE1-CE 3.44Å; E81-K84 PolarHBondContact O-N 3.07Å; E81-K84 IonicContact OE1-NZ 2.79Å; E81-K84 PolarHBondContact OE1-NZ 2.78Å; K84-K88 VanDerWaalsContact O-CB 3.23Å; K84-K88 WeakPolarHBondContact O-CB 3.33Å; K84-K88 PolarHBondContact O-N 3.31Å
85Y98.8Very high98.5Very high41 Ų4154.4 Ų54.416%0.16127%0.274CS..Hα-helixtrans-62.6-49.8177.8-175.8-116.3000111.5N63 E66 L67 E81 T82 V83 L87 K88 R89 L390N63-Y85 PolarHBondContact OD1-OH 2.92Å; E66-Y85 HydrophobicContact CB-CE1 4.11Å; E66-Y85 HydrophobicContact CB-CE2 4.25Å; E66-Y85 HydrophobicContact CG-CE2 4.41Å; L67-Y85 HydrophobicContact CD2-CD1 3.9Å; L67-Y85 HydrophobicContact CD2-CE1 4.34Å; L67-Y85 HydrophobicContact CG-CD1 4.29Å; L67-Y85 HydrophobicContact CG-CE1 4.26Å; E81-Y85 WeakPolarHBondContact O-CB 3.36Å; E81-Y85 PolarHBondContact O-N 3.13Å; T82-Y85 PolarHBondContact O-N 3.44Å; V83-Y85 VanDerWaalsContact C-N 3.27Å; V83-Y85 PolarHBondContact O-N 3.27Å; Y85-L87 PolarHBondContact O-N 3.14Å; Y85-K88 PolarHBondContact O-N 3.46Å; Y85-R89 HydrophobicContact CE1-CG 4.38Å; Y85-R89 HydrophobicContact CE2-CG 4.17Å; Y85-R89 VanDerWaalsContact O-CG 3.29Å; Y85-R89 WeakPolarHBondContact O-CG 3.38Å; Y85-R89 PolarHBondContact O-N 3.19Å; Y85-R89 PolarHBondContact OH-NE 3.34Å; Y85-L390 HydrophobicContact CD1-CD1 3.94Å; Y85-L390 HydrophobicContact CE1-CD1 3.49Å; Y85-L390 VanDerWaalsContact CE1-CD1 3.49Å
86V98.9Very high98.5Very high0 Ų052.3 Ų52.30%026%0.261CS..Hα-helixtrans-61-47.4177.6177.10000111.2T82 V83 K88 R89 W90 V352 T386 L390T82-V86 WeakPolarHBondContact O-CG2 3.34Å; T82-V86 PolarHBondContact O-N 3.5Å; V83-V86 PolarHBondContact O-N 3.13Å; V86-K88 VanDerWaalsContact C-N 3.35Å; V86-K88 PolarHBondContact O-N 3.35Å; V86-R89 PolarHBondContact O-N 2.8Å; V86-W90 HydrophobicContact CG1-CD2 3.73Å; V86-W90 HydrophobicContact CG1-CE3 3.81Å; V86-W90 HydrophobicContact CG1-CG 4.43Å; V86-W90 HydrophobicContact CG1-CH2 3.86Å; V86-W90 HydrophobicContact CG1-CZ2 3.79Å; V86-W90 HydrophobicContact CG1-CZ3 3.87Å; V86-W90 PolarHBondContact O-N 3.06Å; V86-V352 HydrophobicContact CB-CG1 4.47Å; V86-V352 HydrophobicContact CB-CG2 4.46Å; V86-V352 HydrophobicContact CG1-CB 4.06Å; V86-V352 HydrophobicContact CG1-CG1 3.87Å; V86-T386 HydrophobicContact CG2-CG2 4.29Å; V86-L390 HydrophobicContact CG1-CD2 4.29Å; V86-L390 HydrophobicContact CG2-CD2 4.31Å
87L98.9Very high98.6Very high27 Ų2751.7 Ų51.714%0.14126%0.256CS..Hα-helixtrans-56.7-47.4176.3-80.4168.9000111.9V83 Y85 R89 W90 Q91 R102 V352V83-L87 HydrophobicContact CG1-CD1 3.81Å; V83-L87 HydrophobicContact CG1-CG 4.48Å; V83-L87 WeakPolarHBondContact O-CB 3.48Å; V83-L87 PolarHBondContact O-N 3.49Å; Y85-L87 PolarHBondContact O-N 3.14Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 2.7Å; L87-W90 PolarHBondContact O-N 3.43Å; L87-Q91 VanDerWaalsContact O-CB 3.28Å; L87-Q91 WeakPolarHBondContact O-CB 3.15Å; L87-Q91 VanDerWaalsContact O-CG 3.24Å; L87-Q91 WeakPolarHBondContact O-CG 3.48Å; L87-Q91 PolarHBondContact O-N 3.01Å; L87-R102 HydrophobicContact CD1-CB 4.39Å; L87-V352 HydrophobicContact CD2-CG1 3.55Å; L87-V352 HydrophobicContact CG-CG1 3.68Å; L87-V352 HydrophobicContact CG-CG2 4.28Å
88K98.7Very high98.6Very high153 Ų15349.8 Ų49.867%0.66524%0.241SC*.Hα-helixtrans-57.8-43178.1179-175.8175.9-1740111.6K84 Y85 V86 D92K84-K88 VanDerWaalsContact O-CB 3.23Å; K84-K88 WeakPolarHBondContact O-CB 3.33Å; K84-K88 PolarHBondContact O-N 3.31Å; Y85-K88 PolarHBondContact O-N 3.46Å; V86-K88 VanDerWaalsContact C-N 3.35Å; V86-K88 PolarHBondContact O-N 3.35Å; K88-D92 PolarHBondContact O-N 2.68Å
89R98.8Very high98.6Very high46 Ų4656.2 Ų56.217%0.17427%0.271CS..Hα-helixtrans-67.8-41.8179.5-63.2-67.7-110.1116.3-4.7111.4N63 Y85 V86 L87 D92 L390N63-R89 PolarHBondContact OD1-NH2 3.47Å; Y85-R89 HydrophobicContact CE1-CG 4.38Å; Y85-R89 HydrophobicContact CE2-CG 4.17Å; Y85-R89 VanDerWaalsContact O-CG 3.29Å; Y85-R89 WeakPolarHBondContact O-CG 3.38Å; Y85-R89 PolarHBondContact O-N 3.19Å; Y85-R89 PolarHBondContact OH-NE 3.34Å; V86-R89 PolarHBondContact O-N 2.8Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 2.7Å; R89-D92 WeakPolarHBondContact O-CB 3.49Å; R89-L390 HydrophobicContact CB-CD2 3.94Å; R89-L390 HydrophobicContact CG-CD2 4.2Å
90W98.9Very high98.6Very high2 Ų256.7 Ų56.71%0.00828%0.275CS..Hα-helixtrans-79.1-20.6-178.1-69-8.2000114.4V86 L87 G96 L97 A100 V352 M389 T393 F413V86-W90 HydrophobicContact CG1-CD2 3.73Å; V86-W90 HydrophobicContact CG1-CE3 3.81Å; V86-W90 HydrophobicContact CG1-CG 4.43Å; V86-W90 HydrophobicContact CG1-CH2 3.86Å; V86-W90 HydrophobicContact CG1-CZ2 3.79Å; V86-W90 HydrophobicContact CG1-CZ3 3.87Å; V86-W90 PolarHBondContact O-N 3.06Å; L87-W90 PolarHBondContact O-N 3.43Å; W90-G96 CarbonylContact O-C 3.55Å; W90-G96 VanDerWaalsContact O-CA 3.29Å; W90-G96 WeakPolarHBondContact O-CA 3.49Å; W90-L97 HydrophobicContact CB-CD1 3.93Å; W90-L97 HydrophobicContact CB-CG 4.05Å; W90-L97 HydrophobicContact CD2-CD1 3.71Å; W90-L97 HydrophobicContact CE3-CD1 4.09Å; W90-L97 HydrophobicContact CG-CD1 3.63Å; W90-L97 HydrophobicContact CG-CG 4.06Å; W90-L97 PolarHBondContact O-N 3.03Å; W90-A100 HydrophobicContact CB-CB 3.57Å; W90-A100 HydrophobicContact CE3-CB 4.22Å; W90-V352 HydrophobicContact CE3-CG1 3.78Å; W90-V352 HydrophobicContact CZ3-CB 4.2Å; W90-V352 HydrophobicContact CZ3-CG1 3.75Å; W90-V352 WeakPolarHBondContact CZ3-O 3.44Å; W90-M389 HydrophobicContact CH2-CE 4.23Å; W90-M389 HydrophobicContact CH2-SD 4.21Å; W90-M389 HydrophobicContact CZ2-CE 3.94Å; W90-M389 HydrophobicContact CZ2-CG 4.15Å; W90-M389 HydrophobicContact CZ2-SD 3.87Å; W90-T393 HydrophobicContact CZ2-CG2 4.31Å; W90-T393 PolarHBondContact NE1-OG1 2.94Å; W90-F413 HydrophobicContact CH2-CB 3.58Å; W90-F413 HydrophobicContact CZ2-CB 3.72Å; W90-F413 HydrophobicContact CZ2-CG 4.49Å; W90-F413 HydrophobicContact CZ3-CB 4.19Å
91Q98.8Very high98.7Very high121 Ų12158 Ų5857%0.56528%0.278SS*.THydrogen-bonded Turntrans-92.12175.5-66.6175.7-1600113.2L87 A100L87-Q91 VanDerWaalsContact O-CB 3.28Å; L87-Q91 WeakPolarHBondContact O-CB 3.15Å; L87-Q91 VanDerWaalsContact O-CG 3.24Å; L87-Q91 WeakPolarHBondContact O-CG 3.48Å; L87-Q91 PolarHBondContact O-N 3.01Å; Q91-A100 HydrophobicContact CG-CB 4.05Å; Q91-A100 PolarHBondContact NE2-O 3.19Å
92D98.7Very high98.7Very high57 Ų5756.8 Ų56.831%0.30527%0.268SS..  trans-59.9130.9178.3-176.9-94000111.3K88 R89 E94 T95 G96K88-D92 PolarHBondContact O-N 2.68Å; R89-D92 WeakPolarHBondContact O-CB 3.49Å; D92-E94 VanDerWaalsContact C-N 3.27Å; D92-E94 PolarHBondContact O-N 3.01Å; D92-E94 PolarHBondContact OD1-N 3.49Å; D92-T95 PolarHBondContact OD1-N 3.21Å; D92-T95 PolarHBondContact OD1-OG1 2.86Å; D92-G96 WeakPolarHBondContact O-CA 3.39Å; D92-G96 PolarHBondContact O-N 3.33Å
93P98.3Very high98.6Very high101 Ų10157.6 Ų57.666%0.65627%0.272SS*.THydrogen-bonded Turntrans-70.3-22-173.426.8-34.5000113.8
94E98.2Very high98.6Very high147 Ų14761.7 Ų61.769%0.68729%0.291SS*.THydrogen-bonded Turntrans-102.2-28.5-174.6-61.7-173.8174.400113D92 K401D92-E94 VanDerWaalsContact C-N 3.27Å; D92-E94 PolarHBondContact O-N 3.01Å; D92-E94 PolarHBondContact OD1-N 3.49Å; E94-K401 WeakPolarHBondContact O-CB 3.22Å
95T98.3Very high98.6Very high21 Ų2157.2 Ų57.213%0.12927%0.271CS..THydrogen-bonded Turntrans-131.3-4.9-172.762.20000114.3D92 R394 G397 R398D92-T95 PolarHBondContact OD1-N 3.21Å; D92-T95 PolarHBondContact OD1-OG1 2.86Å; T95-R394 HydrophobicContact CG2-CG 4.33Å; T95-G397 WeakPolarHBondContact O-CA 3.48Å; T95-R398 HydrophobicContact CG2-CB 4.1Å; T95-R398 HydrophobicContact CG2-CG 4.35Å
96G98.1Very high98.6Very high1 Ų157.9 Ų57.91%0.0128%0.275CS..SBendtrans-80.9-174.7-179.200000114.4W90 D92 G397 K401W90-G96 CarbonylContact O-C 3.55Å; W90-G96 VanDerWaalsContact O-CA 3.29Å; W90-G96 WeakPolarHBondContact O-CA 3.49Å; D92-G96 WeakPolarHBondContact O-CA 3.39Å; D92-G96 PolarHBondContact O-N 3.33Å; G96-G397 VanDerWaalsContact O-CA 3.26Å; G96-G397 WeakPolarHBondContact O-CA 3.48Å; G96-K401 VanDerWaalsContact O-CE 3.31Å; G96-K401 WeakPolarHBondContact O-CE 3.23Å
97L98.9Very high98.5Very high6 Ų658 Ų583%0.03128%0.276CS..  trans-87.7-178.6-175.2-53.6-177.4000111.4W90 I356 T393 K401 F413W90-L97 HydrophobicContact CB-CD1 3.93Å; W90-L97 HydrophobicContact CB-CG 4.05Å; W90-L97 HydrophobicContact CD2-CD1 3.71Å; W90-L97 HydrophobicContact CE3-CD1 4.09Å; W90-L97 HydrophobicContact CG-CD1 3.63Å; W90-L97 HydrophobicContact CG-CG 4.06Å; W90-L97 PolarHBondContact O-N 3.03Å; L97-I356 HydrophobicContact CD2-CD1 3.97Å; L97-I356 HydrophobicContact CD2-CG1 3.84Å; L97-T393 HydrophobicContact CD2-CG2 4.2Å; L97-K401 WeakPolarHBondContact O-CE 3.26Å; L97-K401 PolarHBondContact O-NZ 3.18Å; L97-F413 HydrophobicContact CD1-CD2 3.84Å; L97-F413 HydrophobicContact CD2-CD2 4.22Å; L97-F413 HydrophobicContact CD2-CE2 4.08Å
98D98.7Very high98.5Very high50 Ų5058.3 Ų58.327%0.26728%0.275SS..SBendtrans-69.1-48.7173.8-73.6-25.2000110.2V355 R357 R406D98-V355 WeakPolarHBondContact CB-O 3.34Å; D98-V355 PolarHBondContact N-O 2.91Å; D98-R357 WeakPolarHBondContact OD2-CB 3.44Å; D98-R357 PolarHBondContact OD2-N 3.1Å; D98-R406 IonicContact OD1-CZ 3.99Å; D98-R406 IonicContact OD1-NH2 3.51Å; D98-R406 PolarHBondContact OD1-NH2 3.35Å; D98-R406 IonicContact OD2-CZ 2.72Å; D98-R406 IonicContact OD2-NH1 3.1Å; D98-R406 PolarHBondContact OD2-NH1 3.43Å; D98-R406 IonicContact OD2-NH2 3.34Å; D98-R406 PolarHBondContact OD2-NH2 3.37Å
99E98.6Very high98.5Very high137 Ų13751 Ų5164%0.6424%0.244SC*.EExtended strand (participates in β ladder)trans-142.8147.1175.6-63.9175.5-158.200109.6G354 V355E99-G354 CarbonylContact O-C 3.47Å; E99-G354 WeakPolarHBondContact O-CA 3.31Å; E99-V355 HydrophobicContact CB-CG1 3.88Å; E99-V355 PolarHBondContact O-N 2.82Å
100A98.8Very high98.4Very high14 Ų1449 Ų4912%0.11624%0.237CC..EExtended strand (participates in β ladder)trans-146.1133172.500000110.5W90 Q91 M353W90-A100 HydrophobicContact CB-CB 3.57Å; W90-A100 HydrophobicContact CE3-CB 4.22Å; Q91-A100 HydrophobicContact CG-CB 4.05Å; Q91-A100 PolarHBondContact NE2-O 3.19Å; A100-M353 CarbonylContact C-O 3.55Å; A100-M353 WeakPolarHBondContact CA-O 3.22Å
101W98.8Very high98.4Very high86 Ų8650.6 Ų50.633%0.32624%0.243SC..EExtended strand (participates in β ladder)trans-143.6157.4-173.173.2100.7000112.3M353 V355W101-M353 HydrophobicContact CD2-CB 3.7Å; W101-M353 HydrophobicContact CE3-CB 3.91Å; W101-M353 HydrophobicContact CG-CB 4.43Å; W101-M353 HydrophobicContact CH2-CB 3.55Å; W101-M353 HydrophobicContact CH2-CG 4.43Å; W101-M353 HydrophobicContact CZ2-CB 3.32Å; W101-M353 HydrophobicContact CZ2-CG 3.78Å; W101-M353 HydrophobicContact CZ3-CB 3.84Å; W101-M353 PolarHBondContact N-O 2.88Å; W101-M353 PolarHBondContact O-N 2.92Å; W101-V355 HydrophobicContact CZ3-CG1 4.26Å
102R98.4Very high98.3Very high78 Ų7845.4 Ų45.429%0.29422%0.221SC..EExtended strand (participates in β ladder)trans-84.1134.4170.8-173.7-173.6-177.6101.5-3.5109.3E80 L87 E104 A350E80-R102 VanDerWaalsContact CD-NH1 3.3Å; E80-R102 IonicContact OE1-NH1 3.77Å; E80-R102 PolarHBondContact OE1-NH1 3.12Å; E80-R102 VanDerWaalsContact OE1-NH1 3.17Å; E80-R102 IonicContact OE2-CZ 2.69Å; E80-R102 IonicContact OE2-NH1 3.35Å; E80-R102 PolarHBondContact OE2-NH1 3.11Å; E80-R102 IonicContact OE2-NH2 2.71Å; E80-R102 PolarHBondContact OE2-NH2 2.81Å; L87-R102 HydrophobicContact CD1-CB 4.39Å; R102-E104 HydrophobicContact CG-CG 4.05Å; R102-E104 IonicContact CZ-OE1 2.74Å; R102-E104 VanDerWaalsContact CZ-OE1 3.28Å; R102-E104 IonicContact NE-OE1 3.98Å; R102-E104 PolarHBondContact NE-OE1 3.21Å; R102-E104 IonicContact NH2-OE1 3.13Å; R102-E104 PolarHBondContact NH2-OE1 2.99Å; R102-A350 HydrophobicContact CG-CB 3.92Å; R102-A350 VanDerWaalsContact CZ-CB 3.45Å
103Q98.4Very high98.2Very high23 Ų2344.7 Ų44.711%0.10722%0.217CC..EExtended strand (participates in β ladder)trans-124.6111.7177.3-179.473.835.100108.8Y105 N351 M353 E432Q103-Y105 HydrophobicContact CG-CE2 3.98Å; Q103-N351 HydrophobicContact CB-CB 4.26Å; Q103-N351 PolarHBondContact N-O 3.22Å; Q103-N351 PolarHBondContact O-N 3.26Å; Q103-M353 HydrophobicContact CB-CG 3.91Å; Q103-E432 PolarHBondContact NE2-OE1 2.96Å; Q103-E432 PolarHBondContact NE2-OE2 3.3Å
104E97.6Very high98Very high86 Ų8645.9 Ų45.940%0.40223%0.225SC..EExtended strand (participates in β ladder)trans-100.9146.8-173.5-62.3-167.5131.100113.5R102 K267 S349 A350R102-E104 HydrophobicContact CG-CG 4.05Å; R102-E104 IonicContact CZ-OE1 2.74Å; R102-E104 VanDerWaalsContact CZ-OE1 3.28Å; R102-E104 IonicContact NE-OE1 3.98Å; R102-E104 PolarHBondContact NE-OE1 3.21Å; R102-E104 IonicContact NH2-OE1 3.13Å; R102-E104 PolarHBondContact NH2-OE1 2.99Å; E104-K267 PolarHBondContact O-NZ 2.93Å; E104-K267 VanDerWaalsContact O-NZ 3.16Å; E104-S349 WeakPolarHBondContact CA-O 3.26Å; E104-A350 HydrophobicContact CG-CB 4.28Å
105Y98.7Very high97.8Very high4 Ų447.6 Ų47.62%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-133.1146.9169.6-55-82.7000109.7Q103 A265 A266 K267 N348 S349 N351 E428 Y429 E432Q103-Y105 HydrophobicContact CG-CE2 3.98Å; Y105-A265 HydrophobicContact CE1-CB 4.3Å; Y105-A266 CarbonylContact C-O 3.55Å; Y105-A266 WeakPolarHBondContact CA-O 3.22Å; Y105-K267 HydrophobicContact CD1-CD 4.31Å; Y105-N348 CarbonylContact O-C 3.59Å; Y105-N348 WeakPolarHBondContact O-CA 3.47Å; Y105-S349 PolarHBondContact N-O 3.25Å; Y105-S349 PolarHBondContact O-N 3.28Å; Y105-N351 WeakPolarHBondContact CE2-ND2 3.46Å; Y105-E428 HydrophobicContact CD1-CB 3.53Å; Y105-E428 HydrophobicContact CD1-CG 4.14Å; Y105-E428 HydrophobicContact CD2-CB 3.89Å; Y105-E428 HydrophobicContact CD2-CG 4.42Å; Y105-E428 HydrophobicContact CE1-CB 3.6Å; Y105-E428 HydrophobicContact CE2-CB 3.96Å; Y105-E428 HydrophobicContact CG-CB 3.67Å; Y105-E428 HydrophobicContact CG-CG 4Å; Y105-Y429 WeakPolarHBondContact OH-CA 3.46Å; Y105-Y429 PolarHBondContact OH-N 3.17Å; Y105-E432 HydrophobicContact CE1-CB 4.43Å; Y105-E432 WeakPolarHBondContact CE1-OE2 3.39Å; Y105-E432 PolarHBondContact OH-OE2 3.4Å
106K98.3Very high97.7Very high56 Ų5650.5 Ų50.524%0.24324%0.244CC..EExtended strand (participates in β ladder)trans-10688.4-177.4-178168.3-174.3-179.70109.2A266 E268 R272 I346 V347K106-A266 PolarHBondContact N-O 3.45Å; K106-E268 WeakPolarHBondContact CD-OE2 3.39Å; K106-E268 IonicContact NZ-OE1 2.97Å; K106-E268 PolarHBondContact NZ-OE1 3.42Å; K106-E268 IonicContact NZ-OE2 3.34Å; K106-E268 PolarHBondContact NZ-OE2 2.9Å; K106-R272 PolarHBondContact O-NH2 3Å; K106-I346 HydrophobicContact CD-CG2 4.14Å; K106-I346 HydrophobicContact CG-CG2 3.35Å; K106-V347 CarbonylContact C-O 3.48Å; K106-V347 WeakPolarHBondContact CA-O 3.25Å
107V98.4Very high97.7Very high1 Ų152 Ų521%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-110.7154.8-160.6-61.90000111.3L109 D258 A266 I346 V347 I424 E428V107-L109 HydrophobicContact CG2-CD1 4.42Å; V107-L109 HydrophobicContact CG2-CD2 3.86Å; V107-L109 HydrophobicContact CG2-CG 4.03Å; V107-D258 HydrophobicContact CB-CB 4.48Å; V107-D258 HydrophobicContact CG1-CB 4.36Å; V107-A266 HydrophobicContact CG1-CB 3.93Å; V107-I346 CarbonylContact O-C 3.59Å; V107-I346 VanDerWaalsContact O-CA 3.31Å; V107-I346 WeakPolarHBondContact O-CA 3.12Å; V107-V347 PolarHBondContact N-O 3.46Å; V107-V347 PolarHBondContact O-N 2.87Å; V107-I424 HydrophobicContact CB-CG2 3.78Å; V107-I424 HydrophobicContact CG1-CG2 3.4Å; V107-I424 HydrophobicContact CG2-CG2 4.21Å; V107-E428 HydrophobicContact CG1-CG 4.18Å
108Y98.3Very high97.6Very high35 Ų3551.9 Ų51.914%0.13725%0.254CS..EExtended strand (participates in β ladder)trans-91.2110.2178.3178.9-106.9000111.3Y156 D258 L259 L260 T275 I278 A345 I346Y108-Y156 HydrophobicContact CD1-CE1 4.2Å; Y108-Y156 HydrophobicContact CE1-CD1 4.24Å; Y108-Y156 HydrophobicContact CE1-CE1 4.28Å; Y108-Y156 PolarHBondContact O-OH 2.95Å; Y108-D258 VanDerWaalsContact CB-OD1 3.28Å; Y108-D258 WeakPolarHBondContact CB-OD1 3.45Å; Y108-D258 PolarHBondContact N-OD1 3.32Å; Y108-L259 HydrophobicContact CD1-CB 4.47Å; Y108-L260 HydrophobicContact CD1-CG 4.24Å; Y108-L260 HydrophobicContact CD2-CD1 3.82Å; Y108-L260 HydrophobicContact CD2-CG 4.35Å; Y108-L260 HydrophobicContact CG-CD1 3.77Å; Y108-L260 HydrophobicContact CG-CG 3.84Å; Y108-T275 HydrophobicContact CE2-CG2 4.08Å; Y108-I278 HydrophobicContact CD1-CD1 3.95Å; Y108-I278 HydrophobicContact CE1-CD1 3.52Å; Y108-A345 WeakPolarHBondContact CA-O 3.23Å; Y108-I346 HydrophobicContact CD2-CG1 4.19Å
109L98.5Very high97.6Very high0 Ų053.8 Ų53.80%026%0.259CS..EExtended strand (participates in β ladder)trans-112.4171.9177.2-52.8-169.8000110.8A74 T75 V107 F111 G344 A345 V347 A418 F421 I424A74-L109 HydrophobicContact CB-CD1 4.1Å; T75-L109 HydrophobicContact CG2-CD1 3.62Å; V107-L109 HydrophobicContact CG2-CD1 4.42Å; V107-L109 HydrophobicContact CG2-CD2 3.86Å; V107-L109 HydrophobicContact CG2-CG 4.03Å; L109-F111 HydrophobicContact CB-CE1 4.45Å; L109-F111 HydrophobicContact CB-CE2 3.73Å; L109-F111 HydrophobicContact CB-CZ 3.63Å; L109-F111 HydrophobicContact CD1-CZ 3.86Å; L109-F111 HydrophobicContact CG-CZ 4.35Å; L109-G344 CarbonylContact O-C 3.55Å; L109-G344 VanDerWaalsContact O-CA 3.29Å; L109-G344 WeakPolarHBondContact O-CA 3.48Å; L109-A345 PolarHBondContact N-O 3.28Å; L109-A345 PolarHBondContact O-N 3.18Å; L109-V347 HydrophobicContact CB-CG2 4.09Å; L109-V347 HydrophobicContact CD1-CG2 3.64Å; L109-V347 HydrophobicContact CG-CG2 3.68Å; L109-A418 HydrophobicContact CD1-CB 4.43Å; L109-A418 HydrophobicContact CD2-CB 4.17Å; L109-F421 HydrophobicContact CB-CD1 4.11Å; L109-F421 HydrophobicContact CB-CE1 4.27Å; L109-F421 HydrophobicContact CD1-CD2 4.28Å; L109-F421 HydrophobicContact CD1-CE2 4.49Å; L109-F421 HydrophobicContact CD1-CG 4.39Å; L109-F421 HydrophobicContact CD2-CB 3.67Å; L109-F421 HydrophobicContact CD2-CD1 4.11Å; L109-F421 HydrophobicContact CD2-CD2 4.39Å; L109-F421 HydrophobicContact CD2-CG 3.79Å; L109-F421 HydrophobicContact CG-CG 4.46Å; L109-I424 HydrophobicContact CD2-CD1 3.37Å
110S97.8Very high97.6Very high3 Ų347.5 Ų47.52%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-128.7134.4179.6176.60000111.4F153 Y156 N343 F421S110-F153 VanDerWaalsContact O-CE2 3.27Å; S110-F153 WeakPolarHBondContact O-CE2 3.45Å; S110-F153 WeakPolarHBondContact O-CZ 3.45Å; S110-Y156 PolarHBondContact OG-N 3.47Å; S110-N343 CarbonylContact C-O 3.55Å; S110-N343 WeakPolarHBondContact CA-O 3.26Å; S110-F421 WeakPolarHBondContact O-CE1 3.17Å
111F98.1Very high97.6Very high35 Ų3547.7 Ų47.715%0.15423%0.23CC..EExtended strand (participates in β ladder)trans-134.6152.4-177.1-55.3-73.8000111.1M73 L109 N342 N343 A345 V347 F421M73-F111 HydrophobicContact CE-CD1 3.61Å; M73-F111 HydrophobicContact CE-CE1 3.7Å; M73-F111 HydrophobicContact SD-CD1 4.3Å; M73-F111 HydrophobicContact SD-CE1 4.36Å; L109-F111 HydrophobicContact CB-CE1 4.45Å; L109-F111 HydrophobicContact CB-CE2 3.73Å; L109-F111 HydrophobicContact CB-CZ 3.63Å; L109-F111 HydrophobicContact CD1-CZ 3.86Å; L109-F111 HydrophobicContact CG-CZ 4.35Å; F111-N342 CarbonylContact O-C 3.22Å; F111-N342 WeakPolarHBondContact O-CA 3.47Å; F111-N343 PolarHBondContact N-O 3.09Å; F111-N343 PolarHBondContact O-N 3.27Å; F111-N343 PolarHBondContact O-OD1 3.16Å; F111-A345 HydrophobicContact CD2-CB 4.42Å; F111-A345 HydrophobicContact CE2-CB 4.38Å; F111-V347 HydrophobicContact CE2-CG1 4.49Å; F111-V347 HydrophobicContact CE2-CG2 4.34Å; F111-V347 HydrophobicContact CZ-CG2 4.4Å; F111-F421 HydrophobicContact CD1-CZ 4.35Å; F111-F421 AromaticContact CE1-CZ 3.91Å; F111-F421 HydrophobicContact CE1-CZ 3.91Å
112P97.3Very high97.6Very high13 Ų1343.7 Ų43.78%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-75.1146.1167.431.8-31.8000110.3P114 V150 Q151 F153P112-P114 VanDerWaalsContact O-CD 3.28Å; P112-P114 WeakPolarHBondContact O-CD 3.39Å; P112-V150 HydrophobicContact CG-CG2 3.57Å; P112-Q151 HydrophobicContact CG-CB 4.34Å; P112-F153 HydrophobicContact CB-CB 4.28Å; P112-F153 HydrophobicContact CB-CD2 4.47Å; P112-F153 HydrophobicContact CB-CG 4.27Å; P112-F153 HydrophobicContact CG-CB 4.4Å; P112-F153 HydrophobicContact CG-CD1 4.01Å; P112-F153 HydrophobicContact CG-CD2 4.35Å; P112-F153 HydrophobicContact CG-CE1 4.34Å; P112-F153 HydrophobicContact CG-CG 4.01Å
113D96.6Very high97.6Very high41 Ų4140.1 Ų40.122%0.21920%0.202CC..  trans-70.3115.8174.6-176.3-10.3000110.8K115 N116 H341D113-K115 PolarHBondContact O-N 2.89Å; D113-K115 WeakPolarHBondContact OD1-CB 3.3Å; D113-K115 PolarHBondContact OD1-N 3.32Å; D113-N116 HydrophobicContact CB-CB 4.28Å; D113-N116 CarbonylContact O-C 3.49Å; D113-N116 VanDerWaalsContact O-C 3.22Å; D113-N116 PolarHBondContact O-N 3.4Å; D113-N116 PolarHBondContact OD1-N 3.26Å; D113-N116 PolarHBondContact OD2-ND2 2.94Å; D113-H341 HydrophobicContact CB-CB 3.95Å; D113-H341 WeakPolarHBondContact CB-O 3.15Å; D113-H341 PolarHBondContact N-O 2.76Å; D113-H341 VanDerWaalsContact N-O 3.08Å
114P92.6Very high97.5Very high127 Ų12740 Ų4083%0.82520%0.204SC*.SBendtrans-67-18.2179.828.4-36000113.7P112P112-P114 VanDerWaalsContact O-CD 3.28Å; P112-P114 WeakPolarHBondContact O-CD 3.39Å
115K95.2Very high97.3Very high182 Ų18241.6 Ų41.679%0.79122%0.224SC*.SBendtrans-90.3-27178-62.9178.3-178.2172.70112.5D113D113-K115 PolarHBondContact O-N 2.89Å; D113-K115 WeakPolarHBondContact OD1-CB 3.3Å; D113-K115 PolarHBondContact OD1-N 3.32Å
116N96.4Very high97.1Very high82 Ų8245.8 Ų45.844%0.43925%0.254SS..SBendtrans-12879.2179.9-58.3-67.8000108.2D113 H341D113-N116 HydrophobicContact CB-CB 4.28Å; D113-N116 CarbonylContact O-C 3.49Å; D113-N116 VanDerWaalsContact O-C 3.22Å; D113-N116 PolarHBondContact O-N 3.4Å; D113-N116 PolarHBondContact OD1-N 3.26Å; D113-N116 PolarHBondContact OD2-ND2 2.94Å; N116-H341 HydrophobicContact CB-CB 4.21Å; N116-H341 WeakPolarHBondContact O-CB 3.36Å; N116-H341 PolarHBondContact O-CD2 3.1Å; N116-H341 VanDerWaalsContact O-CD2 3.29Å
117P96.4Very high96.9Very high34 Ų3447.4 Ų47.422%0.22127%0.266CS..  trans-62.6149.4-176.326.3-34.4000111K119P117-K119 PolarHBondContact O-N 2.71Å
118N98.6Very high96.8Very high3 Ų349.5 Ų49.52%0.01628%0.283CS..  trans-61.1137.6174.2-66.7-12.1000109.7Q151 Q287 D339 I340 H341 N342N118-Q151 PolarHBondContact O-NE2 2.8Å; N118-Q287 PolarHBondContact ND2-OE1 3.25Å; N118-D339 CarbonylContact C-O 3.55Å; N118-D339 WeakPolarHBondContact CA-O 3.47Å; N118-I340 HydrophobicContact CB-CD1 3.98Å; N118-H341 PolarHBondContact OD1-N 2.94Å; N118-N342 PolarHBondContact ND2-OD1 3.31Å; N118-N342 PolarHBondContact OD1-OD1 3.34Å
119K98.4Very high96.8Very high89 Ų8951.9 Ų51.939%0.38730%0.301SS..EExtended strand (participates in β ladder)trans-130138.7-179.8-69.2176.9-174176.90111.6P117 E135 D339P117-K119 PolarHBondContact O-N 2.71Å; K119-E135 VanDerWaalsContact CE-OE1 3.25Å; K119-E135 WeakPolarHBondContact CE-OE1 3.48Å; K119-D339 HydrophobicContact CB-CB 4.34Å; K119-D339 PolarHBondContact N-O 3.04Å; K119-D339 PolarHBondContact O-N 3.23Å
120V98.8Very high96.8Very high5 Ų555.8 Ų55.83%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-124.2122.9169.4-176.70000107.8V133 L216 Q287 V336 K337 L338V120-V133 HydrophobicContact CB-CB 3.87Å; V120-V133 HydrophobicContact CB-CG1 4.48Å; V120-V133 HydrophobicContact CB-CG2 3.71Å; V120-V133 HydrophobicContact CG1-CB 4.4Å; V120-V133 HydrophobicContact CG1-CG2 3.67Å; V120-V133 PolarHBondContact O-N 2.77Å; V120-L216 HydrophobicContact CB-CD2 4.47Å; V120-L216 HydrophobicContact CG1-CD1 4.01Å; V120-L216 HydrophobicContact CG1-CD2 3.87Å; V120-L216 HydrophobicContact CG2-CD2 3.82Å; V120-Q287 HydrophobicContact CG2-CB 4.07Å; V120-Q287 HydrophobicContact CG2-CG 3.71Å; V120-V336 HydrophobicContact CG1-CG1 3.92Å; V120-K337 WeakPolarHBondContact CA-O 3.27Å; V120-L338 HydrophobicContact CG1-CD1 4.31Å; V120-L338 HydrophobicContact CG2-CG 4.22Å
121T98.8Very high96.8Very high18 Ų1857.8 Ų57.811%0.1133%0.33CS..EExtended strand (participates in β ladder)trans-131.3151.2-177.253.50000110.8V129 F131 T132 V336 K337T121-V129 HydrophobicContact CG2-CG1 3.99Å; T121-V129 HydrophobicContact CG2-CG2 4.39Å; T121-F131 CarbonylContact C-O 3.55Å; T121-F131 VanDerWaalsContact CA-O 3.24Å; T121-F131 WeakPolarHBondContact CA-O 3.35Å; T121-T132 HydrophobicContact CG2-CG2 4.2Å; T121-V336 CarbonylContact O-C 3.48Å; T121-V336 WeakPolarHBondContact O-CA 3.37Å; T121-K337 PolarHBondContact N-O 3.27Å; T121-K337 PolarHBondContact O-N 2.95Å
122V98.8Very high96.8Very high2 Ų259.6 Ų59.61%0.01234%0.343CS..EExtended strand (participates in β ladder)trans-96.7125.3162.5-177.80000107.1L130 F131 L297 F325 F331 E335 V336V122-L130 PolarHBondContact O-N 2.91Å; V122-F131 HydrophobicContact CB-CB 4.04Å; V122-F131 HydrophobicContact CG2-CB 4.08Å; V122-F131 HydrophobicContact CG2-CD1 4.03Å; V122-F131 PolarHBondContact N-O 3.46Å; V122-F131 PolarHBondContact O-N 3.42Å; V122-L297 HydrophobicContact CG2-CD2 3.53Å; V122-F325 HydrophobicContact CG1-CE2 3.92Å; V122-F325 HydrophobicContact CG1-CZ 4.49Å; V122-F325 HydrophobicContact CG2-CZ 4.34Å; V122-F331 HydrophobicContact CB-CD1 4.29Å; V122-F331 HydrophobicContact CB-CE1 4.48Å; V122-F331 HydrophobicContact CG1-CB 4.03Å; V122-F331 HydrophobicContact CG1-CD1 3.78Å; V122-F331 HydrophobicContact CG1-CE1 4.45Å; V122-F331 HydrophobicContact CG1-CG 3.88Å; V122-F331 HydrophobicContact CG2-CE1 4.48Å; V122-E335 CarbonylContact C-O 3.52Å; V122-E335 WeakPolarHBondContact CA-O 3.48Å; V122-V336 HydrophobicContact CG2-CG2 4.3Å
123V98.4Very high96.9Very high4 Ų459.3 Ų59.32%0.02434%0.342CS..EExtended strand (participates in β ladder)trans-122.5139.1-175.5-64.40000111.3A128 V129 K163 S334 E335 K337V123-A128 CarbonylContact C-O 3.57Å; V123-A128 WeakPolarHBondContact CA-O 3.35Å; V123-V129 HydrophobicContact CG1-CG2 4.23Å; V123-K163 HydrophobicContact CG2-CD 3.75Å; V123-K163 HydrophobicContact CG2-CG 4.41Å; V123-S334 VanDerWaalsContact O-CA 3.32Å; V123-S334 WeakPolarHBondContact O-CA 3.26Å; V123-S334 WeakPolarHBondContact O-CB 3.33Å; V123-E335 HydrophobicContact CG2-CB 4.47Å; V123-E335 PolarHBondContact N-O 3.37Å; V123-E335 PolarHBondContact O-N 3.06Å; V123-K337 HydrophobicContact CG1-CB 4.42Å; V123-K337 HydrophobicContact CG2-CB 4.19Å
124S96.4Very high96.9Very high21 Ų2163.2 Ų63.215%0.14735%0.353CS..  trans-68.6174.6173.275.60000111.7S126 D127 A128S124-S126 PolarHBondContact O-N 3.21Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S124-S126 PolarHBondContact OG-N 3.09Å; S124-S126 PolarHBondContact OG-OG 3.27Å; S124-D127 WeakPolarHBondContact O-CA 3.47Å; S124-D127 PolarHBondContact O-N 2.98Å; S124-A128 PolarHBondContact N-O 3.48Å; S124-A128 WeakPolarHBondContact OG-CB 3.32Å; S124-A128 PolarHBondContact OG-N 3.15Å
125S92.2Very high97.1Very high118 Ų11860.6 Ų60.683%0.82533%0.33SS*.THydrogen-bonded Turntrans-60.5-16.7171.956.80000114.5
126S93.8Very high97.1Very high92 Ų9257.8 Ų57.864%0.64331%0.314SS*.THydrogen-bonded Turntrans-98.316173.372.10000113S124 A128S124-S126 PolarHBondContact O-N 3.21Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S124-S126 PolarHBondContact OG-N 3.09Å; S124-S126 PolarHBondContact OG-OG 3.27Å; S126-A128 PolarHBondContact O-N 3.31Å
127D94.3Very high97.2Very high91 Ų9154.3 Ų54.349%0.48730%0.296SS..  trans56.824.8-174.1-70.4-52000114.1S124 K163S124-D127 WeakPolarHBondContact O-CA 3.47Å; S124-D127 PolarHBondContact O-N 2.98Å; D127-K163 IonicContact OD1-NZ 2.77Å; D127-K163 PolarHBondContact OD1-NZ 3.35Å; D127-K163 IonicContact OD2-NZ 3.23Å
128A96.9Very high97.2Very high44 Ų4455 Ų5536%0.36430%0.299SS..  trans-79.4127.217300000109.8V123 S124 S126 L130V123-A128 CarbonylContact C-O 3.57Å; V123-A128 WeakPolarHBondContact CA-O 3.35Å; S124-A128 PolarHBondContact N-O 3.48Å; S124-A128 WeakPolarHBondContact OG-CB 3.32Å; S124-A128 PolarHBondContact OG-N 3.15Å; S126-A128 PolarHBondContact O-N 3.31Å; A128-L130 PolarHBondContact O-N 2.82Å
129V98.2Very high97.1Very high85 Ų8558.5 Ų58.552%0.51532%0.318SS..EExtended strand (participates in β ladder)trans-69.2120.5178.5-179.90000110.1T121 V123 T132T121-V129 HydrophobicContact CG2-CG1 3.99Å; T121-V129 HydrophobicContact CG2-CG2 4.39Å; V123-V129 HydrophobicContact CG1-CG2 4.23Å; V129-T132 WeakPolarHBondContact CG1-OG1 3.39Å
130L98.1Very high96.9Very high83 Ų8357 Ų5744%0.43531%0.31SS..EExtended strand (participates in β ladder)trans-101.2-29.6178.2-57.4-176.5000112.6V122 A128 F331 S334V122-L130 PolarHBondContact O-N 2.91Å; A128-L130 PolarHBondContact O-N 2.82Å; L130-F331 HydrophobicContact CB-CD1 4.44Å; L130-S334 WeakPolarHBondContact CD1-OG 3.2Å
131F98.6Very high96.7Very high45 Ų4558.5 Ų58.520%0.19732%0.319CS..EExtended strand (participates in β ladder)trans-152.6146.5179.2176.2-103.2000109.7T121 V122 V133 D293 T296 L297 F331T121-F131 CarbonylContact C-O 3.55Å; T121-F131 VanDerWaalsContact CA-O 3.24Å; T121-F131 WeakPolarHBondContact CA-O 3.35Å; V122-F131 HydrophobicContact CB-CB 4.04Å; V122-F131 HydrophobicContact CG2-CB 4.08Å; V122-F131 HydrophobicContact CG2-CD1 4.03Å; V122-F131 PolarHBondContact N-O 3.46Å; V122-F131 PolarHBondContact O-N 3.42Å; F131-V133 HydrophobicContact CE1-CG2 3.92Å; F131-D293 HydrophobicContact CE1-CB 4.5Å; F131-D293 HydrophobicContact CZ-CB 4.31Å; F131-D293 WeakPolarHBondContact CZ-OD1 3.5Å; F131-T296 HydrophobicContact CD2-CG2 4.34Å; F131-T296 HydrophobicContact CE1-CG2 4.43Å; F131-T296 HydrophobicContact CE2-CG2 3.98Å; F131-T296 HydrophobicContact CZ-CG2 4.02Å; F131-L297 HydrophobicContact CD1-CD2 4.26Å; F131-L297 HydrophobicContact CE1-CD2 4.37Å; F131-F331 HydrophobicContact CB-CE1 3.61Å; F131-F331 HydrophobicContact CB-CZ 3.91Å; F131-F331 HydrophobicContact CD1-CZ 4.47Å; F131-F331 HydrophobicContact CG-CE1 4.27Å; F131-F331 HydrophobicContact CG-CZ 4.07Å
132T98.6Very high96.6Very high72 Ų7261.5 Ų61.544%0.44235%0.346SS..EExtended strand (participates in β ladder)trans-128.9122.1177.1-570000107.7T121 V129T121-T132 HydrophobicContact CG2-CG2 4.2Å; V129-T132 WeakPolarHBondContact CG1-OG1 3.39Å
133V98.6Very high96.5Very high8 Ų863.5 Ų63.55%0.04836%0.357CS..  trans-62.6144.5170.6172.90000108.7V120 F131 E135 I289 D293V120-V133 HydrophobicContact CB-CB 3.87Å; V120-V133 HydrophobicContact CB-CG1 4.48Å; V120-V133 HydrophobicContact CB-CG2 3.71Å; V120-V133 HydrophobicContact CG1-CB 4.4Å; V120-V133 HydrophobicContact CG1-CG2 3.67Å; V120-V133 PolarHBondContact O-N 2.77Å; F131-V133 HydrophobicContact CE1-CG2 3.92Å; V133-E135 PolarHBondContact O-N 3.02Å; V133-I289 HydrophobicContact CG1-CB 3.88Å; V133-I289 HydrophobicContact CG1-CG2 3.59Å; V133-D293 HydrophobicContact CB-CB 4.49Å; V133-D293 HydrophobicContact CG1-CB 4.03Å; V133-D293 WeakPolarHBondContact CG1-OD2 3.39Å; V133-D293 HydrophobicContact CG2-CB 4.27Å
134R97.4Very high96.4Very high122 Ų12263.8 Ų63.846%0.4636%0.357SS..  trans-63.7135.4179.9-64.4-175.8-172.5-84.81.8111.2E292 D293R134-E292 IonicContact CZ-OE2 3.19Å; R134-E292 VanDerWaalsContact CZ-OE2 3.23Å; R134-E292 IonicContact NE-OE2 3.46Å; R134-E292 PolarHBondContact NE-OE2 3.17Å; R134-E292 IonicContact NH2-OE1 3.13Å; R134-E292 IonicContact NH2-OE2 3.11Å; R134-E292 PolarHBondContact NH2-OE2 3.24Å; R134-D293 PolarHBondContact N-OD2 2.83Å
135E96.3Very high96.3Very high72 Ų7267.5 Ų67.534%0.33638%0.376SS..SBendtrans-78-23.7176.1-65.9-179.4-17200112.3K119 V133 Q151 P152K119-E135 VanDerWaalsContact CE-OE1 3.25Å; K119-E135 WeakPolarHBondContact CE-OE1 3.48Å; V133-E135 PolarHBondContact O-N 3.02Å; E135-Q151 WeakPolarHBondContact O-CG 3.43Å; E135-P152 VanDerWaalsContact O-CD 3.25Å; E135-P152 WeakPolarHBondContact O-CD 3.39Å
136R96.1Very high96.5Very high123 Ų12363.5 Ų63.546%0.46435%0.345SS..SBendtrans-145.9157.8-177.5-64.9-172177.8-143-5.1111.6V149R136-V149 PolarHBondContact NH1-O 2.96Å; R136-V149 VanDerWaalsContact NH1-O 3.13Å
137E97.6Very high96.5Very high9 Ų964.6 Ų64.64%0.04235%0.35CS..  trans-59.1153.1169.9-67.7100142.600113N139 P152 T245 R249 A551 Y552E137-N139 PolarHBondContact O-OD1 3.36Å; E137-P152 WeakPolarHBondContact OE2-CG 3.4Å; E137-T245 WeakPolarHBondContact CG-O 3.39Å; E137-R249 IonicContact OE1-CZ 3.52Å; E137-R249 IonicContact OE1-NH1 3.29Å; E137-R249 PolarHBondContact OE1-NH1 3.35Å; E137-R249 IonicContact OE1-NH2 3.77Å; E137-R249 PolarHBondContact OE1-NH2 2.97Å; E137-R249 IonicContact OE2-CZ 3.94Å; E137-R249 IonicContact OE2-NH1 3.43Å; E137-R249 IonicContact OE2-NH2 3.37Å; E137-R249 PolarHBondContact OE2-NH2 2.71Å; E137-A551 HydrophobicContact CB-CB 4.23Å; E137-A551 HydrophobicContact CG-CB 4.16Å; E137-A551 PolarHBondContact OE1-N 3.41Å; E137-A551 VanDerWaalsContact OE1-N 3.12Å; E137-Y552 HydrophobicContact CB-CE1 4.5Å; E137-Y552 HydrophobicContact CB-CE2 4.28Å; E137-Y552 HydrophobicContact CG-CE2 4.15Å
138V96.6Very high96.6Very high48 Ų4863.7 Ų63.729%0.29134%0.343SS..  trans-73.8144.3172.7166.20000110.8Y140 T245 Y552V138-Y140 HydrophobicContact CG1-CD1 4.31Å; V138-Y140 HydrophobicContact CG1-CE1 3.93Å; V138-Y140 HydrophobicContact CG1-CE2 4.46Å; V138-Y140 PolarHBondContact O-N 3.02Å; V138-T245 HydrophobicContact CB-CG2 4.34Å; V138-T245 WeakPolarHBondContact CB-OG1 3.31Å; V138-T245 HydrophobicContact CG2-CG2 3.65Å; V138-T245 PolarHBondContact N-OG1 2.95Å; V138-Y552 PolarHBondContact N-OH 2.84Å; V138-Y552 VanDerWaalsContact O-CE1 3.3Å; V138-Y552 WeakPolarHBondContact O-CE1 3.28Å; V138-Y552 PolarHBondContact O-OH 2.96Å
139N96.4Very high96.6Very high78 Ų7861.8 Ų61.842%0.41733%0.327SS..  trans-87.9100.9-177.2-53.3-18.1000111E137 Q144 N145E137-N139 PolarHBondContact O-OD1 3.36Å; N139-Q144 HydrophobicContact CB-CB 4.1Å; N139-Q144 WeakPolarHBondContact OD1-CB 3.28Å; N139-Q144 PolarHBondContact OD1-O 3.47Å; N139-N145 PolarHBondContact ND2-OD1 3.5Å
140Y94.6Very high96.6Very high58 Ų5858.7 Ų58.723%0.22731%0.308CS..SBendtrans-90.6-28.5172.6-61.4-62.3000112.1V138 Q144 D231 Y236 P243 Y552V138-Y140 HydrophobicContact CG1-CD1 4.31Å; V138-Y140 HydrophobicContact CG1-CE1 3.93Å; V138-Y140 HydrophobicContact CG1-CE2 4.46Å; V138-Y140 PolarHBondContact O-N 3.02Å; Y140-Q144 VanDerWaalsContact N-OE1 3.15Å; Y140-D231 VanDerWaalsContact OH-CB 3.31Å; Y140-D231 WeakPolarHBondContact OH-CB 3.46Å; Y140-D231 PolarHBondContact OH-OD2 3.16Å; Y140-Y236 HydrophobicContact CD2-CD1 4.25Å; Y140-P243 HydrophobicContact CD2-CB 4.5Å; Y140-P243 HydrophobicContact CD2-CG 4.29Å; Y140-P243 HydrophobicContact CE2-CB 3.51Å; Y140-P243 HydrophobicContact CE2-CG 3.74Å; Y140-Y552 HydrophobicContact CD2-CD1 4.1Å; Y140-Y552 AromaticContact CD2-CE1 3.37Å; Y140-Y552 HydrophobicContact CD2-CE1 3.37Å; Y140-Y552 AromaticContact CD2-CZ 3.72Å; Y140-Y552 AromaticContact CE2-CE1 3.79Å; Y140-Y552 HydrophobicContact CE2-CE1 3.79Å; Y140-Y552 HydrophobicContact CE2-CE2 4.41Å; Y140-Y552 AromaticContact CE2-CZ 3.59Å; Y140-Y552 VanDerWaalsContact CE2-OH 3.28Å; Y140-Y552 WeakPolarHBondContact CE2-OH 3.26Å; Y140-Y552 HydrophobicContact CG-CE1 4.49Å
141T94.1Very high96.6Very high36 Ų3655.4 Ų55.422%0.22129%0.29CS..SBendtrans-127.6178.6175.1710000111.3D143 Q144 N145 Y236T141-D143 PolarHBondContact O-N 3.3Å; T141-D143 WeakPolarHBondContact OG1-CB 3.4Å; T141-D143 PolarHBondContact OG1-N 3.31Å; T141-D143 PolarHBondContact OG1-OD2 2.96Å; T141-Q144 PolarHBondContact O-OE1 3.08Å; T141-Q144 PolarHBondContact OG1-NE2 3.02Å; T141-Q144 PolarHBondContact OG1-OE1 3.1Å; T141-N145 PolarHBondContact O-ND2 3.35Å; T141-Y236 HydrophobicContact CG2-CE1 4.34Å; T141-Y236 VanDerWaalsContact CG2-OH 3.26Å; T141-Y236 WeakPolarHBondContact CG2-OH 3.46Å
142A95.7Very high96.6Very high80 Ų8053.4 Ų53.466%0.66128%0.282SS*.SBendtrans-64.2-26.6174.200000112.4Q144 N145A142-Q144 PolarHBondContact O-N 3.42Å; A142-N145 WeakPolarHBondContact O-CB 3.4Å; A142-N145 PolarHBondContact O-N 3.24Å
143D96.6Very high96.6Very high45 Ų4550 Ų5024%0.24126%0.261CS..G310 helixtrans-60.3-44.8-174.6-51.9-52.4000111.4T141 N145 D146 H377 T554T141-D143 PolarHBondContact O-N 3.3Å; T141-D143 WeakPolarHBondContact OG1-CB 3.4Å; T141-D143 PolarHBondContact OG1-N 3.31Å; T141-D143 PolarHBondContact OG1-OD2 2.96Å; D143-N145 PolarHBondContact O-N 3Å; D143-N145 VanDerWaalsContact O-N 3.15Å; D143-D146 WeakPolarHBondContact O-CB 3.31Å; D143-D146 PolarHBondContact O-N 2.95Å; D143-H377 PolarHBondContact O-CE1 3.28Å; D143-T554 HydrophobicContact CB-CG2 3.76Å
144Q96.9Very high96.6Very high9 Ų949.6 Ų49.64%0.04226%0.259CS..G310 helixtrans-68.5-15.7179-63.579.847.900113.5N139 Y140 T141 A142 D146 A551 Y552N139-Q144 HydrophobicContact CB-CB 4.1Å; N139-Q144 WeakPolarHBondContact OD1-CB 3.28Å; N139-Q144 PolarHBondContact OD1-O 3.47Å; Y140-Q144 VanDerWaalsContact N-OE1 3.15Å; T141-Q144 PolarHBondContact O-OE1 3.08Å; T141-Q144 PolarHBondContact OG1-NE2 3.02Å; T141-Q144 PolarHBondContact OG1-OE1 3.1Å; A142-Q144 PolarHBondContact O-N 3.42Å; Q144-D146 VanDerWaalsContact C-N 3.31Å; Q144-A551 HydrophobicContact CG-CB 3.98Å; Q144-A551 PolarHBondContact NE2-O 3.07Å; Q144-Y552 HydrophobicContact CG-CD1 4.06Å; Q144-Y552 HydrophobicContact CG-CE1 3.76Å
145N95.6Very high96.6Very high99 Ų9943.8 Ų43.853%0.52924%0.237SC..G310 helixtrans-82.9-6.6175.1-64.4-80000112.9N139 T141 A142 D143N139-N145 PolarHBondContact ND2-OD1 3.5Å; T141-N145 PolarHBondContact O-ND2 3.35Å; A142-N145 WeakPolarHBondContact O-CB 3.4Å; A142-N145 PolarHBondContact O-N 3.24Å; D143-N145 PolarHBondContact O-N 3Å; D143-N145 VanDerWaalsContact O-N 3.15Å
146D95.9Very high96.7Very high34 Ų3440.9 Ų40.918%0.18222%0.223CC..  trans-61.9127179.4-170.7-53.4000109.8P71 D143 Q144 Q148 V149P71-D146 VanDerWaalsContact CD-OD2 3.32Å; P71-D146 WeakPolarHBondContact CD-OD2 3.38Å; P71-D146 HydrophobicContact CG-CB 4.01Å; D143-D146 WeakPolarHBondContact O-CB 3.31Å; D143-D146 PolarHBondContact O-N 2.95Å; Q144-D146 VanDerWaalsContact C-N 3.31Å; D146-Q148 PolarHBondContact O-N 3Å; D146-Q148 VanDerWaalsContact O-N 3.13Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.37Å; D146-Q148 VanDerWaalsContact OD1-CB 3.28Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.45Å; D146-Q148 PolarHBondContact OD1-N 3.2Å; D146-V149 HydrophobicContact CB-CG2 4.09Å; D146-V149 WeakPolarHBondContact O-CB 3.38Å; D146-V149 WeakPolarHBondContact O-CG2 3.33Å; D146-V149 PolarHBondContact O-N 3.02Å
147P94Very high96.8Very high115 Ų11535.1 Ų35.175%0.74720%0.202SC*.THydrogen-bonded Turntrans-63.1-18.9-177.826.8-36.3000113.6V149P147-V149 VanDerWaalsContact C-N 3.32Å
148Q95.5Very high96.8Very high73 Ų7336.8 Ų36.834%0.34121%0.213SC..THydrogen-bonded Turntrans-82.2-4.7175-61.9-167.585.500113.5P71 D146 V150P71-Q148 HydrophobicContact CB-CB 4.05Å; P71-Q148 HydrophobicContact CG-CB 4.03Å; D146-Q148 PolarHBondContact O-N 3Å; D146-Q148 VanDerWaalsContact O-N 3.13Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.37Å; D146-Q148 VanDerWaalsContact OD1-CB 3.28Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.45Å; D146-Q148 PolarHBondContact OD1-N 3.2Å; Q148-V150 PolarHBondContact O-N 2.69Å
149V97.4Very high96.9Very high4 Ų437.4 Ų37.42%0.02422%0.223CC..  trans-61.6108.3168.8177.90000108.3P71 R136 D146 P147 V376 A551P71-V149 HydrophobicContact CG-CG2 3.88Å; R136-V149 PolarHBondContact NH1-O 2.96Å; R136-V149 VanDerWaalsContact NH1-O 3.13Å; D146-V149 HydrophobicContact CB-CG2 4.09Å; D146-V149 WeakPolarHBondContact O-CB 3.38Å; D146-V149 WeakPolarHBondContact O-CG2 3.33Å; D146-V149 PolarHBondContact O-N 3.02Å; P147-V149 VanDerWaalsContact C-N 3.32Å; V149-V376 HydrophobicContact CB-CG1 4.23Å; V149-V376 HydrophobicContact CG1-CG1 3.95Å; V149-V376 HydrophobicContact CG2-CG1 3.73Å; V149-A551 HydrophobicContact CG1-CB 4.04Å
150V97.3Very high97Very high19 Ų1935 Ų3512%0.11522%0.217CC..PPolyproline II helixtrans-66.3144.5178.168.90000109.7M73 P112 Q148 F153 R249 W375M73-V150 HydrophobicContact CE-CB 4.41Å; M73-V150 HydrophobicContact CE-CG2 4.24Å; M73-V150 HydrophobicContact SD-CB 4.21Å; M73-V150 HydrophobicContact SD-CG1 4.02Å; M73-V150 HydrophobicContact SD-CG2 4.16Å; P112-V150 HydrophobicContact CG-CG2 3.57Å; Q148-V150 PolarHBondContact O-N 2.69Å; V150-F153 HydrophobicContact CG1-CE1 4.39Å; V150-F153 HydrophobicContact CG2-CD1 4.22Å; V150-F153 HydrophobicContact CG2-CE1 3.95Å; V150-R249 PolarHBondContact O-NE 2.84Å; V150-R249 PolarHBondContact O-NH2 2.84Å; V150-W375 WeakPolarHBondContact CG1-O 3.43Å
151Q98Very high97.1Very high14 Ų1438.5 Ų38.57%0.06524%0.236CC..PPolyproline II helixtrans-54.3142.3171.5-163.9-176.14.400109.9P112 N118 E135 F153P112-Q151 HydrophobicContact CG-CB 4.34Å; N118-Q151 PolarHBondContact O-NE2 2.8Å; E135-Q151 WeakPolarHBondContact O-CG 3.43Å; Q151-F153 VanDerWaalsContact O-CD1 3.3Å; Q151-F153 WeakPolarHBondContact O-CD1 3.31Å; Q151-F153 PolarHBondContact O-N 3.08Å
152P98.7Very high97.3Very high4 Ų437.1 Ų37.13%0.02623%0.228CC..PPolyproline II helixtrans-54.9129.8165.6-21.431.4000110.5E135 E137 V247 R249 Q287E135-P152 VanDerWaalsContact O-CD 3.25Å; E135-P152 WeakPolarHBondContact O-CD 3.39Å; E137-P152 WeakPolarHBondContact OE2-CG 3.4Å; P152-V247 HydrophobicContact CB-CB 3.62Å; P152-V247 HydrophobicContact CB-CG1 3.52Å; P152-V247 HydrophobicContact CB-CG2 4.12Å; P152-V247 HydrophobicContact CG-CB 3.76Å; P152-V247 HydrophobicContact CG-CG1 4.21Å; P152-V247 HydrophobicContact CG-CG2 3.9Å; P152-R249 VanDerWaalsContact CD-NH2 3.28Å; P152-Q287 PolarHBondContact O-NE2 2.8Å
153F98.8Very high97.5Very high0 Ų037.2 Ų37.20%021%0.213CC..  trans-156.1159.6-179.178.5-67.5000110.7M73 S110 P112 V150 Q151 A155 W375M73-F153 HydrophobicContact SD-CE1 4.49Å; S110-F153 VanDerWaalsContact O-CE2 3.27Å; S110-F153 WeakPolarHBondContact O-CE2 3.45Å; S110-F153 WeakPolarHBondContact O-CZ 3.45Å; P112-F153 HydrophobicContact CB-CB 4.28Å; P112-F153 HydrophobicContact CB-CD2 4.47Å; P112-F153 HydrophobicContact CB-CG 4.27Å; P112-F153 HydrophobicContact CG-CB 4.4Å; P112-F153 HydrophobicContact CG-CD1 4.01Å; P112-F153 HydrophobicContact CG-CD2 4.35Å; P112-F153 HydrophobicContact CG-CE1 4.34Å; P112-F153 HydrophobicContact CG-CG 4.01Å; V150-F153 HydrophobicContact CG1-CE1 4.39Å; V150-F153 HydrophobicContact CG2-CD1 4.22Å; V150-F153 HydrophobicContact CG2-CE1 3.95Å; Q151-F153 VanDerWaalsContact O-CD1 3.3Å; Q151-F153 WeakPolarHBondContact O-CD1 3.31Å; Q151-F153 PolarHBondContact O-N 3.08Å; F153-A155 HydrophobicContact CD2-CB 4.36Å; F153-A155 HydrophobicContact CE2-CB 3.61Å; F153-A155 HydrophobicContact CZ-CB 3.95Å; F153-W375 AromaticContact CE1-CE3 3.99Å; F153-W375 HydrophobicContact CE1-CE3 3.99Å; F153-W375 HydrophobicContact CE1-CH2 4.41Å; F153-W375 AromaticContact CE1-CZ3 3.46Å; F153-W375 HydrophobicContact CE1-CZ3 3.46Å; F153-W375 VanDerWaalsContact CE1-CZ3 3.46Å; F153-W375 HydrophobicContact CZ-CE3 4.49Å; F153-W375 HydrophobicContact CZ-CH2 4.2Å; F153-W375 AromaticContact CZ-CZ3 3.54Å; F153-W375 HydrophobicContact CZ-CZ3 3.54Å
154A98.8Very high97.5Very high0 Ų035 Ų350%020%0.202CC..EExtended strand (participates in β ladder)trans-92.9103.5169.800000109.1Y156 S157 Y252 T286 N342A154-Y156 PolarHBondContact O-N 3.49Å; A154-S157 WeakPolarHBondContact O-CB 3.28Å; A154-S157 PolarHBondContact O-N 3.01Å; A154-Y252 HydrophobicContact CB-CD1 3.99Å; A154-Y252 HydrophobicContact CB-CD2 3.47Å; A154-Y252 VanDerWaalsContact CB-CD2 3.47Å; A154-Y252 HydrophobicContact CB-CE1 3.91Å; A154-Y252 HydrophobicContact CB-CE2 3.4Å; A154-Y252 HydrophobicContact CB-CG 3.8Å; A154-T286 HydrophobicContact CB-CG2 4.07Å; A154-T286 WeakPolarHBondContact CB-O 3.38Å; A154-N342 PolarHBondContact O-ND2 3.03Å
155A98.6Very high97.6Very high0 Ų038.7 Ų38.70%022%0.217CC..EExtended strand (participates in β ladder)trans-62.3136.4178.500000110.6F153 S157 G250 Y252 W375 F421F153-A155 HydrophobicContact CD2-CB 4.36Å; F153-A155 HydrophobicContact CE2-CB 3.61Å; F153-A155 HydrophobicContact CZ-CB 3.95Å; A155-S157 VanDerWaalsContact C-N 3.27Å; A155-S157 PolarHBondContact O-N 3.44Å; A155-G250 PolarHBondContact N-O 3.48Å; A155-G250 VanDerWaalsContact N-O 3.09Å; A155-Y252 WeakPolarHBondContact O-CB 3.39Å; A155-Y252 PolarHBondContact O-N 3.44Å; A155-W375 HydrophobicContact CB-CH2 3.66Å; A155-W375 HydrophobicContact CB-CZ3 4.41Å; A155-F421 HydrophobicContact CB-CD1 4.24Å; A155-F421 HydrophobicContact CB-CE1 3.92Å
156Y98.4Very high97.8Very high10 Ų1034 Ų344%0.03919%0.192CC..THydrogen-bonded Turntrans72.31.9-170.8-45.6-68.6000116.2Y108 S110 A154 A251 L259 I281 F421Y108-Y156 HydrophobicContact CD1-CE1 4.2Å; Y108-Y156 HydrophobicContact CE1-CD1 4.24Å; Y108-Y156 HydrophobicContact CE1-CE1 4.28Å; Y108-Y156 PolarHBondContact O-OH 2.95Å; S110-Y156 PolarHBondContact OG-N 3.47Å; A154-Y156 PolarHBondContact O-N 3.49Å; Y156-A251 HydrophobicContact CD2-CB 4.33Å; Y156-A251 HydrophobicContact CE2-CB 4.04Å; Y156-L259 HydrophobicContact CD1-CD1 3.87Å; Y156-L259 HydrophobicContact CD2-CD1 4.38Å; Y156-L259 HydrophobicContact CE1-CD1 3.82Å; Y156-L259 HydrophobicContact CE2-CD1 4.32Å; Y156-L259 HydrophobicContact CG-CD1 4.15Å; Y156-I281 HydrophobicContact CG-CG2 4.33Å; Y156-F421 HydrophobicContact CE2-CD1 4.44Å; Y156-F421 VanDerWaalsContact CE2-O 3.29Å; Y156-F421 WeakPolarHBondContact CE2-O 3.45Å; Y156-F421 PolarHBondContact OH-O 2.82Å
157S98.2Very high97.9Very high3 Ų332.4 Ų32.42%0.02118%0.184CC..PPolyproline II helixtrans-62.6135.8165.8172.60000110.1A154 A155 T286 N342A154-S157 WeakPolarHBondContact O-CB 3.28Å; A154-S157 PolarHBondContact O-N 3.01Å; A155-S157 VanDerWaalsContact C-N 3.27Å; A155-S157 PolarHBondContact O-N 3.44Å; S157-T286 PolarHBondContact OG-N 2.96Å; S157-T286 PolarHBondContact OG-O 3.37Å; S157-N342 WeakPolarHBondContact O-CB 3.36Å
158P97.8Very high98.1Very high44 Ų4427 Ų2729%0.28615%0.148SC..PPolyproline II helixtrans-68.2147.2178.428.8-34.6000110.6P282P158-P282 WeakPolarHBondContact CD-O 3.48Å
159A97.9Very high98.2Very high60 Ų6023.5 Ų23.550%0.49613%0.132SC..PPolyproline II helixtrans-66.2147.4165.100000110.5I340 N342A159-I340 CarbonylContact C-O 3.25Å; A159-I340 WeakPolarHBondContact CA-O 3.4Å; A159-I340 WeakPolarHBondContact CB-O 3.4Å; A159-N342 WeakPolarHBondContact CB-O 3.39Å
160G97.9Very high98.3Very high29 Ų2923.8 Ų23.830%0.29913%0.134SC..EExtended strand (participates in β ladder)trans159.8162.7177.100000113.6I340G160-I340 PolarHBondContact N-O 3.4Å; G160-I340 PolarHBondContact O-N 3.5Å
161E98.1Very high98.3Very high131 Ų13124.8 Ų24.861%0.61214%0.137SC*.EExtended strand (participates in β ladder)trans-100129.8171.1-67-170.9-14800109.9K337 L338E161-K337 WeakPolarHBondContact OE2-CE 3.2Å; E161-K337 IonicContact OE2-NZ 3.76Å; E161-K337 PolarHBondContact OE2-NZ 2.98Å; E161-L338 VanDerWaalsContact CA-O 3.31Å; E161-L338 WeakPolarHBondContact CA-O 3.48Å
162A98.3Very high98.3Very high7 Ų724.1 Ų24.16%0.05813%0.134CC..EExtended strand (participates in β ladder)trans-130.8136.6172.400000109.3I190 V213 P285 K337 L338A162-I190 HydrophobicContact CB-CD1 3.85Å; A162-V213 HydrophobicContact CB-CB 4.48Å; A162-V213 HydrophobicContact CB-CG2 4.25Å; A162-V213 VanDerWaalsContact CB-O 3.26Å; A162-V213 WeakPolarHBondContact CB-O 3.18Å; A162-P285 HydrophobicContact CB-CG 4.46Å; A162-K337 CarbonylContact O-C 3.53Å; A162-K337 VanDerWaalsContact O-CA 3.28Å; A162-K337 WeakPolarHBondContact O-CA 3.19Å; A162-L338 HydrophobicContact CB-CB 4.43Å; A162-L338 PolarHBondContact N-O 2.72Å; A162-L338 PolarHBondContact O-N 3.05Å
163K98.3Very high98.2Very high81 Ų8127.3 Ų27.335%0.35215%0.147SC..EExtended strand (participates in β ladder)trans-136.3133176.3-175.8173.665.4167.50109.5V123 D127 E335 V336 K337V123-K163 HydrophobicContact CG2-CD 3.75Å; V123-K163 HydrophobicContact CG2-CG 4.41Å; D127-K163 IonicContact OD1-NZ 2.77Å; D127-K163 PolarHBondContact OD1-NZ 3.35Å; D127-K163 IonicContact OD2-NZ 3.23Å; K163-E335 HydrophobicContact CD-CB 4.37Å; K163-E335 WeakPolarHBondContact CD-OE2 3.09Å; K163-E335 WeakPolarHBondContact CE-OE2 3.2Å; K163-E335 HydrophobicContact CG-CB 3.89Å; K163-E335 IonicContact NZ-OE2 3.08Å; K163-V336 WeakPolarHBondContact CA-O 3.5Å; K163-K337 HydrophobicContact CB-CB 4.42Å; K163-K337 HydrophobicContact CB-CG 4.4Å; K163-K337 HydrophobicContact CG-CB 4.3Å
164G98.2Very high97.9Very high0 Ų029.8 Ų29.80%016%0.164CC..EExtended strand (participates in β ladder)trans-178.9175.3176.900000114G188 V336G164-G188 WeakPolarHBondContact CA-O 3.35Å; G164-V336 PolarHBondContact N-O 2.98Å; G164-V336 PolarHBondContact O-N 2.91Å
165K98.2Very high97.7Very high86 Ų8632.8 Ų32.837%0.37419%0.185SC..  trans-67.4141.4175.2-67.9178.1166.5-155.50110.9T189 I190 P323 E335K165-T189 WeakPolarHBondContact O-CA 3.35Å; K165-T189 WeakPolarHBondContact O-CB 3.26Å; K165-I190 PolarHBondContact O-N 3.43Å; K165-P323 VanDerWaalsContact CD-O 3.27Å; K165-P323 WeakPolarHBondContact CD-O 3.43Å; K165-P323 WeakPolarHBondContact CE-O 3.21Å; K165-P323 PolarHBondContact NZ-O 3.15Å; K165-E335 HydrophobicContact CG-CG 4.5Å
166L98.6Very high97.7Very high0 Ų033.1 Ų33.10%019%0.186CC..EExtended strand (participates in β ladder)trans-84.2134.2-178.9-169.570.3000111.6I190 I192 L216 L297 L301 F325 V336L166-I190 CarbonylContact C-O 3.57Å; L166-I190 VanDerWaalsContact CA-O 3.3Å; L166-I190 WeakPolarHBondContact CA-O 3.48Å; L166-I190 HydrophobicContact CD1-CB 4.25Å; L166-I190 HydrophobicContact CD1-CG2 3.92Å; L166-I192 HydrophobicContact CD1-CB 4.01Å; L166-I192 HydrophobicContact CD1-CG2 3.91Å; L166-I192 HydrophobicContact CD2-CG2 4.04Å; L166-I192 HydrophobicContact CG-CG2 3.97Å; L166-L216 HydrophobicContact CD1-CD1 4.36Å; L166-L297 HydrophobicContact CD2-CB 3.8Å; L166-L297 HydrophobicContact CD2-CD1 4.41Å; L166-L301 HydrophobicContact CB-CD2 3.93Å; L166-L301 HydrophobicContact CD2-CD2 3.96Å; L166-L301 HydrophobicContact CD2-CG 4.44Å; L166-L301 HydrophobicContact CG-CD2 4.04Å; L166-L301 WeakPolarHBondContact O-CD2 3.43Å; L166-F325 HydrophobicContact CB-CE1 4.33Å; L166-F325 HydrophobicContact CB-CZ 4.06Å; L166-F325 HydrophobicContact CD2-CE1 3.89Å; L166-F325 HydrophobicContact CD2-CZ 4.05Å; L166-V336 HydrophobicContact CB-CG2 3.91Å; L166-V336 HydrophobicContact CD1-CG2 4.13Å; L166-V336 HydrophobicContact CD2-CG2 4.27Å; L166-V336 HydrophobicContact CG-CG2 4.34Å
167V98.6Very high97.6Very high1 Ų132.7 Ų32.71%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-126.6146.1171.7-61.90000110.8I184 L186 T189 I190 A191 I192 L320V167-I184 HydrophobicContact CG1-CG2 4.09Å; V167-L186 HydrophobicContact CG1-CD2 4.42Å; V167-L186 HydrophobicContact CG2-CD2 4.06Å; V167-T189 HydrophobicContact CG1-CG2 4.22Å; V167-I190 PolarHBondContact N-O 2.88Å; V167-A191 HydrophobicContact CG2-CB 4.07Å; V167-A191 CarbonylContact O-C 3.56Å; V167-A191 WeakPolarHBondContact O-CA 3.15Å; V167-I192 WeakPolarHBondContact O-CG2 3.45Å; V167-I192 PolarHBondContact O-N 2.92Å; V167-L320 WeakPolarHBondContact CA-O 3.28Å
168F98.7Very high97.5Very high0 Ų037.5 Ų37.50%021%0.207CC..EExtended strand (participates in β ladder)trans-97.4117.6177.5173.9-118.3000111.1N170 I192 Y218 I298 L301 A306 W310 Y318 L320F168-N170 HydrophobicContact CZ-CB 4.39Å; F168-I192 HydrophobicContact CB-CG2 4.34Å; F168-I192 HydrophobicContact CD2-CG2 4.24Å; F168-I192 WeakPolarHBondContact CD2-O 3.14Å; F168-Y218 HydrophobicContact CE2-CE1 4.34Å; F168-I298 HydrophobicContact CD2-CD1 3.83Å; F168-I298 HydrophobicContact CE2-CD1 4.04Å; F168-L301 HydrophobicContact CB-CD1 3.71Å; F168-A306 HydrophobicContact CD1-CB 4.14Å; F168-A306 HydrophobicContact CE1-CB 4.23Å; F168-W310 HydrophobicContact CD1-CE3 4.4Å; F168-W310 HydrophobicContact CE1-CB 4.13Å; F168-W310 HydrophobicContact CE1-CE3 4.26Å; F168-W310 VanDerWaalsContact CE1-O 3.25Å; F168-W310 WeakPolarHBondContact CE1-O 3.25Å; F168-Y318 AromaticContact CE1-CD2 3.88Å; F168-Y318 HydrophobicContact CE1-CD2 3.88Å; F168-Y318 HydrophobicContact CE2-CD2 4.47Å; F168-Y318 AromaticContact CZ-CD2 3.84Å; F168-Y318 HydrophobicContact CZ-CD2 3.84Å; F168-Y318 HydrophobicContact CZ-CE2 4.42Å; F168-L320 PolarHBondContact N-O 2.74Å
169A98.3Very high97.4Very high0 Ų038.7 Ų38.70%021%0.209CC..  trans-116.431.8-171.600000113.6Q171 G172 F177 L180 A191 I192 T193A169-Q171 PolarHBondContact O-N 2.94Å; A169-Q171 VanDerWaalsContact O-N 3.15Å; A169-G172 PolarHBondContact O-N 3.42Å; A169-F177 HydrophobicContact CB-CD1 4.16Å; A169-F177 HydrophobicContact CB-CE1 3.55Å; A169-F177 HydrophobicContact CB-CZ 3.93Å; A169-L180 HydrophobicContact CB-CD1 3.58Å; A169-A191 HydrophobicContact CB-CB 4.29Å; A169-I192 PolarHBondContact N-O 3.01Å; A169-T193 HydrophobicContact CB-CG2 3.88Å
170N98.4Very high97.4Very high11 Ų1135.9 Ų35.96%0.05919%0.185CC..THydrogen-bonded Turntrans48.2-117.1175.1-173.438.3000113.3F168 D176 T193 R194 W310F168-N170 HydrophobicContact CZ-CB 4.39Å; N170-D176 PolarHBondContact ND2-OD1 3.32Å; N170-T193 CarbonylContact O-C 3.58Å; N170-T193 VanDerWaalsContact O-CA 3.23Å; N170-T193 WeakPolarHBondContact O-CA 3.3Å; N170-T193 WeakPolarHBondContact O-CB 3.49Å; N170-R194 PolarHBondContact O-N 2.86Å; N170-R194 PolarHBondContact OD1-NE 2.97Å; N170-W310 HydrophobicContact CB-CB 4.38Å; N170-W310 HydrophobicContact CB-CD2 3.38Å; N170-W310 HydrophobicContact CB-CE3 3.57Å; N170-W310 HydrophobicContact CB-CG 3.76Å; N170-W310 HydrophobicContact CB-CH2 4.17Å; N170-W310 HydrophobicContact CB-CZ2 4.03Å; N170-W310 HydrophobicContact CB-CZ3 3.95Å; N170-W310 PolarHBondContact ND2-NE1 3.39Å
171Q97.6Very high97.3Very high40 Ų4038.3 Ų38.319%0.18719%0.191CC..THydrogen-bonded Turntrans-94.74.3-176.7-71.5-178.3-2500112.4A169 K173 D176 R194 K203A169-Q171 PolarHBondContact O-N 2.94Å; A169-Q171 VanDerWaalsContact O-N 3.15Å; Q171-K173 VanDerWaalsContact C-N 3.3Å; Q171-K173 HydrophobicContact CB-CG 4.39Å; Q171-K173 PolarHBondContact O-N 3.19Å; Q171-D176 PolarHBondContact N-OD2 3.16Å; Q171-D176 VanDerWaalsContact N-OD2 3.12Å; Q171-R194 HydrophobicContact CG-CG 3.9Å; Q171-K203 PolarHBondContact O-NZ 3.06Å
172G97.8Very high97.1Very high0 Ų039.7 Ų39.70%020%0.195CC..  trans68.126.3179.400000113.9A169 D176 N206A169-G172 PolarHBondContact O-N 3.42Å; G172-D176 PolarHBondContact N-OD2 3.27Å; G172-D176 VanDerWaalsContact N-OD2 3.12Å; G172-N206 PolarHBondContact O-ND2 3.38Å
173K96.1Very high96.8Very high70 Ų7044.7 Ų44.730%0.30423%0.225SC..  trans-72.2158.5173.2-65.6175.4-174.4167.50110.4Q171 S175 D176 F177 E198Q171-K173 VanDerWaalsContact C-N 3.3Å; Q171-K173 HydrophobicContact CB-CG 4.39Å; Q171-K173 PolarHBondContact O-N 3.19Å; K173-S175 PolarHBondContact O-N 2.81Å; K173-D176 PolarHBondContact N-OD2 2.72Å; K173-D176 WeakPolarHBondContact O-CB 2.88Å; K173-D176 PolarHBondContact O-N 2.69Å; K173-F177 WeakPolarHBondContact O-CD2 3.4Å; K173-F177 PolarHBondContact O-N 3.24Å; K173-E198 HydrophobicContact CG-CB 4.11Å
174P93.8Very high96.6Very high53 Ų5341.9 Ų41.934%0.34421%0.214SC..Hα-helixtrans-53.1-42.9172.7-25.735.8000112D176 F177 E178 E198 N206P174-D176 VanDerWaalsContact C-N 3.25Å; P174-D176 PolarHBondContact O-N 3.37Å; P174-F177 PolarHBondContact O-N 3.48Å; P174-E178 WeakPolarHBondContact O-CG 3.43Å; P174-E178 PolarHBondContact O-N 3.43Å; P174-E198 WeakPolarHBondContact CD-OE2 3.47Å; P174-N206 VanDerWaalsContact CD-ND2 3.32Å; P174-N206 WeakPolarHBondContact CD-ND2 3.24Å
175S94.6Very high96.5Very high63 Ų6346 Ų4644%0.44124%0.236SC..Hα-helixtrans-61.6-28176.960.10000114.4K173 H179K173-S175 PolarHBondContact O-N 2.81Å; S175-H179 WeakPolarHBondContact O-CB 3.42Å; S175-H179 PolarHBondContact O-N 3.44Å
176D97.4Very high96.5Very high7 Ų741.9 Ų41.94%0.03722%0.218CC..Hα-helixtrans-72-45.1179.1-61.9-28.8000110N170 Q171 G172 K173 P174 H179 L180 W310N170-D176 PolarHBondContact ND2-OD1 3.32Å; Q171-D176 PolarHBondContact N-OD2 3.16Å; Q171-D176 VanDerWaalsContact N-OD2 3.12Å; G172-D176 PolarHBondContact N-OD2 3.27Å; G172-D176 VanDerWaalsContact N-OD2 3.12Å; K173-D176 PolarHBondContact N-OD2 2.72Å; K173-D176 WeakPolarHBondContact O-CB 2.88Å; K173-D176 PolarHBondContact O-N 2.69Å; P174-D176 VanDerWaalsContact C-N 3.25Å; P174-D176 PolarHBondContact O-N 3.37Å; D176-H179 WeakPolarHBondContact O-CB 3.34Å; D176-H179 PolarHBondContact O-N 2.99Å; D176-L180 WeakPolarHBondContact O-CG 3.21Å; D176-L180 PolarHBondContact O-N 3.37Å; D176-L180 VanDerWaalsContact O-N 3.09Å; D176-W310 HydrophobicContact CB-CH2 3.75Å; D176-W310 HydrophobicContact CB-CZ2 3.73Å; D176-W310 WeakPolarHBondContact O-CH2 3.35Å; D176-W310 VanDerWaalsContact OD1-CZ2 3.23Å; D176-W310 WeakPolarHBondContact OD1-CZ2 3.45Å
177F97.8Very high96.5Very high0 Ų050.3 Ų50.30%025%0.25CC..Hα-helixtrans-69.4-37.2175.9-63.9-72.3000112.5A169 K173 P174 H179 L180 N181 L186 A191 N206 A207 Y210 V212A169-F177 HydrophobicContact CB-CD1 4.16Å; A169-F177 HydrophobicContact CB-CE1 3.55Å; A169-F177 HydrophobicContact CB-CZ 3.93Å; K173-F177 WeakPolarHBondContact O-CD2 3.4Å; K173-F177 PolarHBondContact O-N 3.24Å; P174-F177 PolarHBondContact O-N 3.48Å; F177-H179 VanDerWaalsContact C-N 3.26Å; F177-H179 PolarHBondContact O-N 2.86Å; F177-L180 HydrophobicContact CD1-CD1 4.46Å; F177-L180 PolarHBondContact O-N 3.24Å; F177-N181 VanDerWaalsContact O-CB 3.31Å; F177-N181 WeakPolarHBondContact O-CB 3.18Å; F177-N181 PolarHBondContact O-N 2.9Å; F177-L186 HydrophobicContact CB-CD1 4.49Å; F177-L186 HydrophobicContact CD1-CD1 4.26Å; F177-A191 HydrophobicContact CE1-CB 4.18Å; F177-N206 HydrophobicContact CD2-CB 3.82Å; F177-N206 HydrophobicContact CE2-CB 3.7Å; F177-A207 HydrophobicContact CE1-CB 3.69Å; F177-A207 HydrophobicContact CE2-CB 4.04Å; F177-A207 HydrophobicContact CZ-CB 3.39Å; F177-Y210 HydrophobicContact CB-CD1 4.44Å; F177-Y210 HydrophobicContact CB-CD2 3.41Å; F177-Y210 VanDerWaalsContact CB-CD2 3.41Å; F177-Y210 HydrophobicContact CB-CE1 4.42Å; F177-Y210 HydrophobicContact CB-CE2 3.4Å; F177-Y210 HydrophobicContact CB-CG 3.97Å; F177-Y210 HydrophobicContact CG-CD2 4.06Å; F177-Y210 HydrophobicContact CG-CE2 4.33Å; F177-V212 HydrophobicContact CE1-CG2 4.46Å
178E96.1Very high96.5Very high105 Ų10552 Ų5249%0.49127%0.268SS..Hα-helixtrans-58-38.8170.7-73.4175-166.100112.2P174 K182 Y210P174-E178 WeakPolarHBondContact O-CG 3.43Å; P174-E178 PolarHBondContact O-N 3.43Å; E178-K182 WeakPolarHBondContact O-CE 3.41Å; E178-K182 WeakPolarHBondContact O-CG 3.5Å; E178-Y210 WeakPolarHBondContact CG-OH 3.31Å
179H95.7Very high96.5Very high69 Ų6952.5 Ų52.532%0.31927%0.271SS..Hα-helixtrans-65.7-48.7176.6-178.491.7000111.4S175 D176 F177 K182 W310S175-H179 WeakPolarHBondContact O-CB 3.42Å; S175-H179 PolarHBondContact O-N 3.44Å; D176-H179 WeakPolarHBondContact O-CB 3.34Å; D176-H179 PolarHBondContact O-N 2.99Å; F177-H179 VanDerWaalsContact C-N 3.26Å; F177-H179 PolarHBondContact O-N 2.86Å; H179-K182 WeakPolarHBondContact O-CB 3.24Å; H179-K182 PolarHBondContact O-N 3.03Å; H179-W310 HydrophobicContact CB-CH2 4.2Å; H179-W310 HydrophobicContact CB-CZ2 4.22Å
180L96.7Very high96.5Very high0 Ų052.5 Ų52.50%027%0.271CS..Hα-helixtrans-62.5-43.4-179.9-72175.5000112.9A169 D176 F177 K182 T183 I184 L186 W310 L320A169-L180 HydrophobicContact CB-CD1 3.58Å; D176-L180 WeakPolarHBondContact O-CG 3.21Å; D176-L180 PolarHBondContact O-N 3.37Å; D176-L180 VanDerWaalsContact O-N 3.09Å; F177-L180 HydrophobicContact CD1-CD1 4.46Å; F177-L180 PolarHBondContact O-N 3.24Å; L180-K182 PolarHBondContact O-N 3.02Å; L180-T183 PolarHBondContact O-N 2.82Å; L180-I184 HydrophobicContact CD2-CD1 4.17Å; L180-I184 PolarHBondContact O-N 2.85Å; L180-L186 HydrophobicContact CB-CD1 4.07Å; L180-L186 HydrophobicContact CB-CD2 4.09Å; L180-L186 HydrophobicContact CD1-CD2 4.31Å; L180-W310 HydrophobicContact CD2-CZ3 4.16Å; L180-W310 HydrophobicContact CG-CH2 4.25Å; L180-W310 HydrophobicContact CG-CZ3 4.26Å; L180-L320 HydrophobicContact CD2-CB 4.06Å; L180-L320 HydrophobicContact CD2-CD1 4.32Å; L180-L320 HydrophobicContact CD2-CD2 3.77Å; L180-L320 HydrophobicContact CD2-CG 4.26Å
181N95.6Very high96.5Very high80 Ų8052 Ų5243%0.42827%0.268SS..THydrogen-bonded Turntrans-65.7-9.3-175.2-163.543.7000113.5F177 T183 L186 Y210F177-N181 VanDerWaalsContact O-CB 3.31Å; F177-N181 WeakPolarHBondContact O-CB 3.18Å; F177-N181 PolarHBondContact O-N 2.9Å; N181-T183 VanDerWaalsContact C-N 3.33Å; N181-L186 HydrophobicContact CB-CD1 4.08Å; N181-Y210 HydrophobicContact CB-CD1 3.84Å; N181-Y210 HydrophobicContact CB-CE1 3.96Å
182K94.3Very high96.6Very high160 Ų16050.1 Ų50.170%0.69626%0.259SS*.THydrogen-bonded Turntrans-70.8-28.4173.1-68.1169.2-172.3175.30112.7E178 H179 L180E178-K182 WeakPolarHBondContact O-CE 3.41Å; E178-K182 WeakPolarHBondContact O-CG 3.5Å; H179-K182 WeakPolarHBondContact O-CB 3.24Å; H179-K182 PolarHBondContact O-N 3.03Å; L180-K182 PolarHBondContact O-N 3.02Å
183T92Very high96.6Very high112 Ų11250.1 Ų50.169%0.68726%0.259SS*.THydrogen-bonded Turntrans-130.9-17.4-171.856.60000113.8L180 N181L180-T183 PolarHBondContact O-N 2.82Å; N181-T183 VanDerWaalsContact C-N 3.33Å
184I95.1Very high96.8Very high23 Ų2347 Ų4712%0.11825%0.245CC..SBendtrans-124.8130.9-177.6-54.2176.3000109.2V167 L180 L186 L320V167-I184 HydrophobicContact CG1-CG2 4.09Å; L180-I184 HydrophobicContact CD2-CD1 4.17Å; L180-I184 PolarHBondContact O-N 2.85Å; I184-L186 HydrophobicContact CB-CD2 4.43Å; I184-L186 HydrophobicContact CG2-CD2 4.18Å; I184-L186 PolarHBondContact O-N 3.37Å; I184-L320 HydrophobicContact CD1-CB 3.82Å
185D96.3Very high97Very high86 Ų8644.7 Ų44.746%0.4623%0.23SC..  trans-74.4111.4167.4-174.72.4000109.2R187D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 WeakPolarHBondContact OD1-CB 3.45Å; D185-R187 WeakPolarHBondContact OD1-CG 3.49Å; D185-R187 IonicContact OD1-CZ 2.67Å; D185-R187 PolarHBondContact OD1-N 3.4Å; D185-R187 IonicContact OD1-NE 2.77Å; D185-R187 PolarHBondContact OD1-NE 3.08Å; D185-R187 IonicContact OD1-NH2 3.23Å; D185-R187 IonicContact OD2-CZ 3.6Å; D185-R187 IonicContact OD2-NE 2.9Å; D185-R187 PolarHBondContact OD2-NE 3.01Å; D185-R187 IonicContact OD2-NH2 2.72Å; D185-R187 PolarHBondContact OD2-NH2 2.99Å
186L98Very high96.9Very high0 Ų042.5 Ų42.50%022%0.217CC..  trans-82.9-9.3-175.1-63.1179.1000113.6V167 F177 L180 N181 I184 G188 T189 Y210 V212V167-L186 HydrophobicContact CG1-CD2 4.42Å; V167-L186 HydrophobicContact CG2-CD2 4.06Å; F177-L186 HydrophobicContact CB-CD1 4.49Å; F177-L186 HydrophobicContact CD1-CD1 4.26Å; L180-L186 HydrophobicContact CB-CD1 4.07Å; L180-L186 HydrophobicContact CB-CD2 4.09Å; L180-L186 HydrophobicContact CD1-CD2 4.31Å; N181-L186 HydrophobicContact CB-CD1 4.08Å; I184-L186 HydrophobicContact CB-CD2 4.43Å; I184-L186 HydrophobicContact CG2-CD2 4.18Å; I184-L186 PolarHBondContact O-N 3.37Å; L186-G188 PolarHBondContact O-N 3.35Å; L186-T189 WeakPolarHBondContact O-CB 3.44Å; L186-T189 PolarHBondContact O-N 3.4Å; L186-T189 VanDerWaalsContact O-N 3.13Å; L186-T189 PolarHBondContact O-OG1 2.74Å; L186-Y210 HydrophobicContact CD1-CD1 4.16Å; L186-Y210 HydrophobicContact CD1-CG 4.06Å; L186-V212 HydrophobicContact CB-CG2 4.19Å
187R98.1Very high96.5Very high177 Ų17744.9 Ų44.967%0.66824%0.243SC*.THydrogen-bonded Turntrans-65.1125.7-177.2-65.2174.7-64169.84111D185 T189 G211D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 WeakPolarHBondContact OD1-CB 3.45Å; D185-R187 WeakPolarHBondContact OD1-CG 3.49Å; D185-R187 IonicContact OD1-CZ 2.67Å; D185-R187 PolarHBondContact OD1-N 3.4Å; D185-R187 IonicContact OD1-NE 2.77Å; D185-R187 PolarHBondContact OD1-NE 3.08Å; D185-R187 IonicContact OD1-NH2 3.23Å; D185-R187 IonicContact OD2-CZ 3.6Å; D185-R187 IonicContact OD2-NE 2.9Å; D185-R187 PolarHBondContact OD2-NE 3.01Å; D185-R187 IonicContact OD2-NH2 2.72Å; D185-R187 PolarHBondContact OD2-NH2 2.99Å; R187-T189 VanDerWaalsContact C-N 3.25Å; R187-T189 PolarHBondContact O-N 3Å; R187-G211 CarbonylContact C-O 3.54Å; R187-G211 WeakPolarHBondContact CA-O 3.22Å
188G98.1Very high96.2Very high37 Ų3747.5 Ų47.538%0.38126%0.255SS..THydrogen-bonded Turntrans75.39.4-178.800000114.5G164 L186 G211G164-G188 WeakPolarHBondContact CA-O 3.35Å; L186-G188 PolarHBondContact O-N 3.35Å; G188-G211 PolarHBondContact N-O 3.32Å
189T98.7Very high96Very high10 Ų1044.4 Ų44.46%0.06125%0.252CS..PPolyproline II helixtrans-85.3163177650000112K165 V167 L186 R187 V212 V213K165-T189 WeakPolarHBondContact O-CA 3.35Å; K165-T189 WeakPolarHBondContact O-CB 3.26Å; V167-T189 HydrophobicContact CG1-CG2 4.22Å; L186-T189 WeakPolarHBondContact O-CB 3.44Å; L186-T189 PolarHBondContact O-N 3.4Å; L186-T189 VanDerWaalsContact O-N 3.13Å; L186-T189 PolarHBondContact O-OG1 2.74Å; R187-T189 VanDerWaalsContact C-N 3.25Å; R187-T189 PolarHBondContact O-N 3Å; T189-V212 WeakPolarHBondContact O-CG1 3.06Å; T189-V213 WeakPolarHBondContact O-CG2 3.31Å; T189-V213 PolarHBondContact O-N 3.31Å
190I98.8Very high96Very high0 Ų043.8 Ų43.80%025%0.246CC..EExtended strand (participates in β ladder)trans-102.5128.2163.1-57.9-59.7000107.3A162 K165 L166 V167 V213 G214 L216 V336 L338A162-I190 HydrophobicContact CB-CD1 3.85Å; K165-I190 PolarHBondContact O-N 3.43Å; L166-I190 CarbonylContact C-O 3.57Å; L166-I190 VanDerWaalsContact CA-O 3.3Å; L166-I190 WeakPolarHBondContact CA-O 3.48Å; L166-I190 HydrophobicContact CD1-CB 4.25Å; L166-I190 HydrophobicContact CD1-CG2 3.92Å; V167-I190 PolarHBondContact N-O 2.88Å; I190-V213 HydrophobicContact CD1-CG2 3.97Å; I190-G214 WeakPolarHBondContact CA-O 3.25Å; I190-L216 HydrophobicContact CG2-CG 4.32Å; I190-V336 HydrophobicContact CB-CB 4.44Å; I190-V336 HydrophobicContact CG1-CB 4.33Å; I190-V336 HydrophobicContact CG2-CB 4.49Å; I190-V336 HydrophobicContact CG2-CG1 4.18Å; I190-L338 HydrophobicContact CD1-CD1 4.08Å; I190-L338 HydrophobicContact CG1-CD1 4.3Å; I190-L338 HydrophobicContact CG2-CD1 3.87Å
191A98.8Very high96Very high0 Ų043.9 Ų43.90%025%0.247CC..EExtended strand (participates in β ladder)trans-95.4142.3174.500000110.6V167 A169 F177 V212 G214 L215 L216V167-A191 HydrophobicContact CG2-CB 4.07Å; V167-A191 CarbonylContact O-C 3.56Å; V167-A191 WeakPolarHBondContact O-CA 3.15Å; A169-A191 HydrophobicContact CB-CB 4.29Å; F177-A191 HydrophobicContact CE1-CB 4.18Å; A191-V212 HydrophobicContact CB-CG1 3.81Å; A191-V212 HydrophobicContact CB-CG2 4.46Å; A191-G214 PolarHBondContact N-O 2.9Å; A191-L215 HydrophobicContact CB-CD1 3.85Å; A191-L215 CarbonylContact O-C 3.44Å; A191-L215 WeakPolarHBondContact O-CA 3.32Å; A191-L216 PolarHBondContact O-N 3.17Å
192I98.9Very high95.9Very high0 Ų042.1 Ų42.10%024%0.237CC..EExtended strand (participates in β ladder)trans-112.1130.1164-178.1164000109.7L166 V167 F168 A169 L216 Y218 I289 A294 I298L166-I192 HydrophobicContact CD1-CB 4.01Å; L166-I192 HydrophobicContact CD1-CG2 3.91Å; L166-I192 HydrophobicContact CD2-CG2 4.04Å; L166-I192 HydrophobicContact CG-CG2 3.97Å; V167-I192 WeakPolarHBondContact O-CG2 3.45Å; V167-I192 PolarHBondContact O-N 2.92Å; F168-I192 HydrophobicContact CB-CG2 4.34Å; F168-I192 HydrophobicContact CD2-CG2 4.24Å; F168-I192 WeakPolarHBondContact CD2-O 3.14Å; A169-I192 PolarHBondContact N-O 3.01Å; I192-L216 WeakPolarHBondContact CA-O 3.19Å; I192-L216 HydrophobicContact CB-CB 4.12Å; I192-L216 HydrophobicContact CD1-CB 4.34Å; I192-L216 HydrophobicContact CG1-CB 4.04Å; I192-Y218 HydrophobicContact CD1-CD1 3.96Å; I192-Y218 HydrophobicContact CD1-CE1 4.41Å; I192-Y218 HydrophobicContact CG1-CD1 3.8Å; I192-Y218 HydrophobicContact CG1-CE1 4.14Å; I192-I289 HydrophobicContact CD1-CD1 3.97Å; I192-A294 HydrophobicContact CD1-CB 4.06Å; I192-I298 HydrophobicContact CD1-CD1 3.96Å; I192-I298 HydrophobicContact CD1-CG1 4.01Å; I192-I298 HydrophobicContact CG1-CD1 4.25Å; I192-I298 HydrophobicContact CG2-CD1 4.29Å; I192-I298 HydrophobicContact CG2-CG1 4.11Å
193T98.8Very high96.1Very high0 Ų034.6 Ų34.60%020%0.204CC..EExtended strand (participates in β ladder)trans-128.1154.4-179.259.70000110.5A169 N170 L215 L216 V217 Y218A169-T193 HydrophobicContact CB-CG2 3.88Å; N170-T193 CarbonylContact O-C 3.58Å; N170-T193 VanDerWaalsContact O-CA 3.23Å; N170-T193 WeakPolarHBondContact O-CA 3.3Å; N170-T193 WeakPolarHBondContact O-CB 3.49Å; T193-L215 HydrophobicContact CG2-CD1 3.77Å; T193-L216 PolarHBondContact N-O 3.25Å; T193-L216 PolarHBondContact OG1-O 2.82Å; T193-V217 CarbonylContact O-C 3.56Å; T193-V217 VanDerWaalsContact O-CA 3.27Å; T193-V217 WeakPolarHBondContact O-CA 3.45Å; T193-Y218 WeakPolarHBondContact O-CD1 3.47Å; T193-Y218 PolarHBondContact O-N 3.34Å
194R98.3Very high96.4Very high6 Ų629.2 Ų29.22%0.02317%0.171CC..EExtended strand (participates in β ladder)trans-91.1152168.871.5-178.387.2-177.22.4111.3N170 Q171 K203 Y218 D220 D223 W310 Q311N170-R194 PolarHBondContact O-N 2.86Å; N170-R194 PolarHBondContact OD1-NE 2.97Å; Q171-R194 HydrophobicContact CG-CG 3.9Å; R194-K203 PolarHBondContact O-NZ 2.75Å; R194-Y218 CarbonylContact C-O 3.6Å; R194-Y218 WeakPolarHBondContact CA-O 3.41Å; R194-Y218 HydrophobicContact CB-CD1 4.33Å; R194-Y218 HydrophobicContact CB-CE1 3.8Å; R194-Y218 HydrophobicContact CB-CE2 4.47Å; R194-D220 HydrophobicContact CB-CB 4.31Å; R194-D220 IonicContact NH1-OD2 3.22Å; R194-D223 WeakPolarHBondContact CD-OD2 3.14Å; R194-D223 IonicContact NH1-OD1 3.89Å; R194-D223 IonicContact NH1-OD2 2.69Å; R194-W310 PolarHBondContact NH2-O 2.92Å; R194-Q311 PolarHBondContact NH1-O 2.85Å; R194-Q311 PolarHBondContact NH2-O 3.09Å
195Y98.2Very high96.5Very high4 Ų430.4 Ų30.42%0.01618%0.177CC..SBendtrans-61.4161.4169.2-81.7-67.1000112.1R200 V217 Y218 T219 E248 Y252 P288Y195-R200 HydrophobicContact CD1-CG 4.29Å; Y195-R200 HydrophobicContact CE1-CG 3.86Å; Y195-V217 HydrophobicContact CD1-CG1 3.67Å; Y195-V217 HydrophobicContact CD2-CG1 3.76Å; Y195-V217 HydrophobicContact CE1-CG1 3.61Å; Y195-V217 HydrophobicContact CE2-CB 4.36Å; Y195-V217 HydrophobicContact CE2-CG1 3.73Å; Y195-V217 HydrophobicContact CG-CG1 3.75Å; Y195-Y218 WeakPolarHBondContact CD2-O 3.19Å; Y195-Y218 PolarHBondContact N-O 3.12Å; Y195-T219 WeakPolarHBondContact CD2-OG1 3.29Å; Y195-E248 HydrophobicContact CD2-CB 4.11Å; Y195-E248 HydrophobicContact CD2-CG 4.44Å; Y195-E248 HydrophobicContact CE1-CG 4.39Å; Y195-E248 HydrophobicContact CE2-CB 3.59Å; Y195-E248 HydrophobicContact CE2-CG 4.01Å; Y195-E248 PolarHBondContact OH-O 2.81Å; Y195-Y252 PolarHBondContact OH-OH 3.44Å; Y195-P288 HydrophobicContact CE2-CB 4.45Å; Y195-P288 WeakPolarHBondContact OH-CB 3.37Å
196G92.2Very high96.6Very high16 Ų1627 Ų2717%0.16516%0.159CC..SBendtrans84.7169.4-174.900000113.6E198 K203G196-E198 PolarHBondContact O-N 3.12Å; G196-E198 VanDerWaalsContact O-N 3.12Å; G196-K203 PolarHBondContact O-NZ 3.24Å
197G90.7Very high96.6Very high57 Ų5727 Ų2759%0.58816%0.159SC*.SBendtrans73.4-98.1-171.400000111.2
198E91.4Very high96.6Very high56 Ų5620 Ų2026%0.26214%0.138SC..SBendtrans-80.1151.9180-166.760.1-91.200112.4K173 P174 G196 Q202 K203 N206K173-E198 HydrophobicContact CG-CB 4.11Å; P174-E198 WeakPolarHBondContact CD-OE2 3.47Å; G196-E198 PolarHBondContact O-N 3.12Å; G196-E198 VanDerWaalsContact O-N 3.12Å; E198-Q202 VanDerWaalsContact CD-CG 3.48Å; E198-Q202 HydrophobicContact CG-CB 3.77Å; E198-Q202 HydrophobicContact CG-CG 3.67Å; E198-Q202 WeakPolarHBondContact OE1-CG 3.32Å; E198-K203 HydrophobicContact CB-CG 4.18Å; E198-K203 HydrophobicContact CG-CG 4.44Å; E198-K203 WeakPolarHBondContact O-CE 3.31Å; E198-K203 PolarHBondContact O-NZ 2.99Å; E198-N206 PolarHBondContact OE2-ND2 3.09Å
199G91.9Very high96.6Very high40 Ų4022.3 Ų22.341%0.41215%0.154SC..  trans-60.3149.7175.400000112.9G201 Q202 K203G199-G201 PolarHBondContact O-N 3.29Å; G199-Q202 PolarHBondContact O-N 3.02Å; G199-Q202 VanDerWaalsContact O-N 3.1Å; G199-K203 WeakPolarHBondContact O-CG 3.37Å; G199-K203 PolarHBondContact O-N 2.79Å; G199-K203 VanDerWaalsContact O-N 3.08Å
200R96Very high96.6Very high55 Ų5524.5 Ų24.521%0.20816%0.162CC..Hα-helixtrans-52.6-55.6-171.9-60.2-170.9-176.892.3-1.8112.9Y195 K203 E248 Y252 Y548Y195-R200 HydrophobicContact CD1-CG 4.29Å; Y195-R200 HydrophobicContact CE1-CG 3.86Å; R200-K203 WeakPolarHBondContact O-CB 3.48Å; R200-K203 PolarHBondContact O-N 3.09Å; R200-E248 IonicContact CZ-OE1 3.78Å; R200-E248 IonicContact NE-OE1 2.86Å; R200-E248 PolarHBondContact NE-OE1 3.2Å; R200-E248 VanDerWaalsContact NE-OE1 3.1Å; R200-E248 IonicContact NH2-OE1 3.42Å; R200-E248 PolarHBondContact NH2-OE1 3.39Å; R200-Y252 VanDerWaalsContact C-CD1 3.41Å; R200-Y252 HydrophobicContact CB-CD1 3.78Å; R200-Y252 HydrophobicContact CB-CD2 3.96Å; R200-Y252 HydrophobicContact CB-CE1 3.81Å; R200-Y252 HydrophobicContact CB-CE2 3.98Å; R200-Y252 HydrophobicContact CB-CG 3.85Å; R200-Y252 HydrophobicContact CG-CE2 4.47Å; R200-Y252 VanDerWaalsContact O-CD1 3.31Å; R200-Y252 WeakPolarHBondContact O-CD1 3.27Å; R200-Y548 PolarHBondContact NH2-OH 2.98Å
201G95.1Very high96.6Very high2 Ų225.9 Ų25.92%0.02118%0.176CC..Hα-helixtrans-64.8-38.5176.900000113.6G199 K203 A204 I205 Y252G199-G201 PolarHBondContact O-N 3.29Å; G201-K203 PolarHBondContact O-N 2.79Å; G201-A204 PolarHBondContact O-N 2.72Å; G201-I205 PolarHBondContact O-N 3.4Å; G201-I205 VanDerWaalsContact O-N 3.14Å; G201-Y252 WeakPolarHBondContact CA-O 3.2Å
202Q95.4Very high96.5Very high44 Ų4426 Ų2621%0.20618%0.177CC..Hα-helixtrans-63.6-29.3-177.5-169.66449.900112.2E198 G199 A204 I205 N206E198-Q202 VanDerWaalsContact CD-CG 3.48Å; E198-Q202 HydrophobicContact CG-CB 3.77Å; E198-Q202 HydrophobicContact CG-CG 3.67Å; E198-Q202 WeakPolarHBondContact OE1-CG 3.32Å; G199-Q202 PolarHBondContact O-N 3.02Å; G199-Q202 VanDerWaalsContact O-N 3.1Å; Q202-A204 VanDerWaalsContact C-N 3.32Å; Q202-A204 PolarHBondContact O-N 2.98Å; Q202-I205 PolarHBondContact O-N 3.28Å; Q202-N206 PolarHBondContact NE2-OD1 3.34Å; Q202-N206 VanDerWaalsContact O-CB 3.29Å; Q202-N206 WeakPolarHBondContact O-CB 3.46Å; Q202-N206 PolarHBondContact O-N 3.36Å; Q202-N206 PolarHBondContact O-ND2 3.05Å; Q202-N206 PolarHBondContact O-OD1 2.94Å
203K98.3Very high96.5Very high1 Ų128.5 Ų28.50%0.00419%0.192CC..Hα-helixtrans-55.5-45170.8-64.7167.5-168.5-71.90112.2Q171 R194 G196 E198 G199 R200 G201 A207 L215 V217Q171-K203 PolarHBondContact O-NZ 3.06Å; R194-K203 PolarHBondContact O-NZ 2.75Å; G196-K203 PolarHBondContact O-NZ 3.24Å; E198-K203 HydrophobicContact CB-CG 4.18Å; E198-K203 HydrophobicContact CG-CG 4.44Å; E198-K203 WeakPolarHBondContact O-CE 3.31Å; E198-K203 PolarHBondContact O-NZ 2.99Å; G199-K203 WeakPolarHBondContact O-CG 3.37Å; G199-K203 PolarHBondContact O-N 2.79Å; G199-K203 VanDerWaalsContact O-N 3.08Å; R200-K203 WeakPolarHBondContact O-CB 3.48Å; R200-K203 PolarHBondContact O-N 3.09Å; G201-K203 PolarHBondContact O-N 2.79Å; K203-A207 WeakPolarHBondContact O-CB 3.33Å; K203-A207 PolarHBondContact O-N 3.16Å; K203-L215 HydrophobicContact CB-CD2 3.76Å; K203-V217 HydrophobicContact CD-CG1 4.4Å
204A98.1Very high96.5Very high0 Ų028.5 Ų28.50%019%0.192CC..Hα-helixtrans-74.2-38.4-179.500000112.1G201 Q202 N206 A207 A208 L215 P282 I284G201-A204 PolarHBondContact O-N 2.72Å; Q202-A204 VanDerWaalsContact C-N 3.32Å; Q202-A204 PolarHBondContact O-N 2.98Å; A204-N206 VanDerWaalsContact C-N 3.35Å; A204-A207 PolarHBondContact O-N 3.39Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 3.23Å; A204-L215 HydrophobicContact CB-CD2 3.8Å; A204-P282 HydrophobicContact CB-CB 3.69Å; A204-P282 HydrophobicContact CB-CG 4.29Å; A204-I284 HydrophobicContact CB-CG1 4.11Å
205I97.5Very high96.6Very high47 Ų4728.2 Ų28.224%0.24119%0.191CC..Hα-helixtrans-60.5-46.8174.4-64.4168.2000110.3G201 Q202 A208 A209G201-I205 PolarHBondContact O-N 3.4Å; G201-I205 VanDerWaalsContact O-N 3.14Å; Q202-I205 PolarHBondContact O-N 3.28Å; I205-A208 PolarHBondContact O-N 2.93Å; I205-A209 PolarHBondContact O-N 3.46Å
206N97.7Very high96.6Very high16 Ų1628 Ų289%0.08619%0.19CC..Hα-helixtrans-62.3-44176.7-68.3-16.5000111.5G172 P174 F177 E198 Q202 A204 A209 Y210G172-N206 PolarHBondContact O-ND2 3.38Å; P174-N206 VanDerWaalsContact CD-ND2 3.32Å; P174-N206 WeakPolarHBondContact CD-ND2 3.24Å; F177-N206 HydrophobicContact CD2-CB 3.82Å; F177-N206 HydrophobicContact CE2-CB 3.7Å; E198-N206 PolarHBondContact OE2-ND2 3.09Å; Q202-N206 PolarHBondContact NE2-OD1 3.34Å; Q202-N206 VanDerWaalsContact O-CB 3.29Å; Q202-N206 WeakPolarHBondContact O-CB 3.46Å; Q202-N206 PolarHBondContact O-N 3.36Å; Q202-N206 PolarHBondContact O-ND2 3.05Å; Q202-N206 PolarHBondContact O-OD1 2.94Å; A204-N206 VanDerWaalsContact C-N 3.35Å; N206-A209 PolarHBondContact O-N 2.82Å; N206-Y210 WeakPolarHBondContact O-CD2 3.36Å
207A98.4Very high96.9Very high0 Ų027.3 Ų27.30%018%0.182CC..Hα-helixtrans-62.3-45.8179.900000112.4F177 K203 A204 A209 Y210 V212 I284F177-A207 HydrophobicContact CE1-CB 3.69Å; F177-A207 HydrophobicContact CE2-CB 4.04Å; F177-A207 HydrophobicContact CZ-CB 3.39Å; K203-A207 WeakPolarHBondContact O-CB 3.33Å; K203-A207 PolarHBondContact O-N 3.16Å; A204-A207 PolarHBondContact O-N 3.39Å; A207-A209 PolarHBondContact O-N 2.54Å; A207-Y210 PolarHBondContact O-N 3.22Å; A207-V212 HydrophobicContact CB-CB 3.91Å; A207-V212 HydrophobicContact CB-CG1 4.05Å; A207-V212 HydrophobicContact CB-CG2 4.16Å; A207-V212 WeakPolarHBondContact O-CB 3.41Å; A207-V212 WeakPolarHBondContact O-CG2 3.47Å; A207-V212 PolarHBondContact O-N 2.64Å; A207-I284 HydrophobicContact CB-CD1 4.06Å
208A98.3Very high97.3Very high28 Ų2824.6 Ų24.623%0.23115%0.154CC..Hα-helixtrans-62.6-31-176.200000113.1A204 I205 Y210 G211 P283 I284A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 3.23Å; I205-A208 PolarHBondContact O-N 2.93Å; A208-Y210 PolarHBondContact O-N 2.64Å; A208-Y210 VanDerWaalsContact O-N 3.11Å; A208-G211 PolarHBondContact O-N 2.81Å; A208-P283 HydrophobicContact CB-CB 4.4Å; A208-P283 HydrophobicContact CB-CG 3.42Å; A208-P283 VanDerWaalsContact CB-CG 3.42Å; A208-I284 HydrophobicContact CB-CD1 4.26Å; A208-I284 HydrophobicContact CB-CG1 4.44Å; A208-I284 HydrophobicContact CB-CG2 3.96Å
209A97.6Very high97.6Very high87 Ų8722.1 Ų22.172%0.71914%0.143SC*.THydrogen-bonded Turntrans-59.4-21.6175.100000113.5I205 N206 A207I205-A209 PolarHBondContact O-N 3.46Å; N206-A209 PolarHBondContact O-N 2.82Å; A207-A209 PolarHBondContact O-N 2.54Å
210Y98.1Very high98Very high55 Ų5520.3 Ų20.322%0.21612%0.124CC..THydrogen-bonded Turntrans-100.56.3176.9-67.9-91.9000113.7F177 E178 N181 L186 N206 A207 A208F177-Y210 HydrophobicContact CB-CD1 4.44Å; F177-Y210 HydrophobicContact CB-CD2 3.41Å; F177-Y210 VanDerWaalsContact CB-CD2 3.41Å; F177-Y210 HydrophobicContact CB-CE1 4.42Å; F177-Y210 HydrophobicContact CB-CE2 3.4Å; F177-Y210 HydrophobicContact CB-CG 3.97Å; F177-Y210 HydrophobicContact CG-CD2 4.06Å; F177-Y210 HydrophobicContact CG-CE2 4.33Å; E178-Y210 WeakPolarHBondContact CG-OH 3.31Å; N181-Y210 HydrophobicContact CB-CD1 3.84Å; N181-Y210 HydrophobicContact CB-CE1 3.96Å; L186-Y210 HydrophobicContact CD1-CD1 4.16Å; L186-Y210 HydrophobicContact CD1-CG 4.06Å; N206-Y210 WeakPolarHBondContact O-CD2 3.36Å; A207-Y210 PolarHBondContact O-N 3.22Å; A208-Y210 PolarHBondContact O-N 2.64Å; A208-Y210 VanDerWaalsContact O-N 3.11Å
211G98.1Very high98Very high29 Ų2917.7 Ų17.730%0.29911%0.114SC..THydrogen-bonded Turntrans80.913.2-179.700000114.9R187 G188 A208R187-G211 CarbonylContact C-O 3.54Å; R187-G211 WeakPolarHBondContact CA-O 3.22Å; G188-G211 PolarHBondContact N-O 3.32Å; A208-G211 PolarHBondContact O-N 2.81Å
212V98.7Very high98.1Very high3 Ų321.3 Ų21.32%0.01813%0.133CC..  trans-61.3136.1166.91780000108.6F177 L186 T189 A191 A207 G214 I284F177-V212 HydrophobicContact CE1-CG2 4.46Å; L186-V212 HydrophobicContact CB-CG2 4.19Å; T189-V212 WeakPolarHBondContact O-CG1 3.06Å; A191-V212 HydrophobicContact CB-CG1 3.81Å; A191-V212 HydrophobicContact CB-CG2 4.46Å; A207-V212 HydrophobicContact CB-CB 3.91Å; A207-V212 HydrophobicContact CB-CG1 4.05Å; A207-V212 HydrophobicContact CB-CG2 4.16Å; A207-V212 WeakPolarHBondContact O-CB 3.41Å; A207-V212 WeakPolarHBondContact O-CG2 3.47Å; A207-V212 PolarHBondContact O-N 2.64Å; V212-G214 WeakPolarHBondContact CG1-O 3.49Å; V212-I284 HydrophobicContact CB-CD1 4.46Å; V212-I284 HydrophobicContact CG1-CD1 4.13Å
213V98.8Very high98.1Very high53 Ų5321 Ų2132%0.32113%0.133SC..  trans-106.4-7.5-173.4-63.60000114A162 T189 I190A162-V213 HydrophobicContact CB-CB 4.48Å; A162-V213 HydrophobicContact CB-CG2 4.25Å; A162-V213 VanDerWaalsContact CB-O 3.26Å; A162-V213 WeakPolarHBondContact CB-O 3.18Å; T189-V213 WeakPolarHBondContact O-CG2 3.31Å; T189-V213 PolarHBondContact O-N 3.31Å; I190-V213 HydrophobicContact CD1-CG2 3.97Å
214G98.8Very high97.9Very high0 Ų021.1 Ų21.10%013%0.133CC..EExtended strand (participates in β ladder)trans-163.8158.417200000112.5I190 A191 V212 P285I190-G214 WeakPolarHBondContact CA-O 3.25Å; A191-G214 PolarHBondContact N-O 2.9Å; V212-G214 WeakPolarHBondContact CG1-O 3.49Å; G214-P285 CarbonylContact C-O 3.55Å; G214-P285 VanDerWaalsContact CA-O 3.24Å; G214-P285 WeakPolarHBondContact CA-O 3.39Å
215L98.9Very high97.9Very high0 Ų021.1 Ų21.10%013%0.133CC..EExtended strand (participates in β ladder)trans-130.4132.5-174.1-174.873.3000111.7A191 T193 K203 A204 V217 I284 P285 T286 Q287A191-L215 HydrophobicContact CB-CD1 3.85Å; A191-L215 CarbonylContact O-C 3.44Å; A191-L215 WeakPolarHBondContact O-CA 3.32Å; T193-L215 HydrophobicContact CG2-CD1 3.77Å; K203-L215 HydrophobicContact CB-CD2 3.76Å; A204-L215 HydrophobicContact CB-CD2 3.8Å; L215-V217 HydrophobicContact CD2-CG2 3.9Å; L215-V217 HydrophobicContact CG-CG2 4.1Å; L215-I284 HydrophobicContact CB-CD1 4.43Å; L215-P285 PolarHBondContact N-O 3.07Å; L215-T286 HydrophobicContact CB-CG2 4.04Å; L215-T286 HydrophobicContact CD2-CG2 3.87Å; L215-T286 HydrophobicContact CG-CG2 4.21Å; L215-T286 CarbonylContact O-C 3.43Å; L215-T286 VanDerWaalsContact O-CA 3.25Å; L215-T286 WeakPolarHBondContact O-CA 3.26Å; L215-Q287 PolarHBondContact O-N 3.42Å
216L98.9Very high97.9Very high0 Ų021.1 Ų21.10%013%0.134CC..EExtended strand (participates in β ladder)trans-105.6141.2164.8-59.5179.1000109.8V120 L166 I190 A191 I192 T193 Q287 I289 L297 V336 L338V120-L216 HydrophobicContact CB-CD2 4.47Å; V120-L216 HydrophobicContact CG1-CD1 4.01Å; V120-L216 HydrophobicContact CG1-CD2 3.87Å; V120-L216 HydrophobicContact CG2-CD2 3.82Å; L166-L216 HydrophobicContact CD1-CD1 4.36Å; I190-L216 HydrophobicContact CG2-CG 4.32Å; A191-L216 PolarHBondContact O-N 3.17Å; I192-L216 WeakPolarHBondContact CA-O 3.19Å; I192-L216 HydrophobicContact CB-CB 4.12Å; I192-L216 HydrophobicContact CD1-CB 4.34Å; I192-L216 HydrophobicContact CG1-CB 4.04Å; T193-L216 PolarHBondContact N-O 3.25Å; T193-L216 PolarHBondContact OG1-O 2.82Å; L216-Q287 WeakPolarHBondContact CA-O 3.45Å; L216-Q287 HydrophobicContact CD2-CB 4.12Å; L216-I289 HydrophobicContact CB-CD1 4.47Å; L216-I289 HydrophobicContact CD1-CD1 4.3Å; L216-I289 HydrophobicContact CD2-CG2 4.16Å; L216-L297 HydrophobicContact CD1-CD1 3.96Å; L216-V336 HydrophobicContact CD1-CG1 4.16Å; L216-L338 HydrophobicContact CD2-CD1 4.07Å; L216-L338 HydrophobicContact CD2-CD2 4.19Å; L216-L338 HydrophobicContact CD2-CG 4.19Å; L216-L338 HydrophobicContact CG-CD1 4.47Å
217V98.9Very high97.8Very high0 Ų021.7 Ų21.70%014%0.143CC..EExtended strand (participates in β ladder)trans-126134.7176.9-165.70000109.8T193 Y195 K203 L215 Y252 T286 Q287 P288 I289T193-V217 CarbonylContact O-C 3.56Å; T193-V217 VanDerWaalsContact O-CA 3.27Å; T193-V217 WeakPolarHBondContact O-CA 3.45Å; Y195-V217 HydrophobicContact CD1-CG1 3.67Å; Y195-V217 HydrophobicContact CD2-CG1 3.76Å; Y195-V217 HydrophobicContact CE1-CG1 3.61Å; Y195-V217 HydrophobicContact CE2-CB 4.36Å; Y195-V217 HydrophobicContact CE2-CG1 3.73Å; Y195-V217 HydrophobicContact CG-CG1 3.75Å; K203-V217 HydrophobicContact CD-CG1 4.4Å; L215-V217 HydrophobicContact CD2-CG2 3.9Å; L215-V217 HydrophobicContact CG-CG2 4.1Å; V217-Y252 HydrophobicContact CG2-CE1 4.13Å; V217-T286 HydrophobicContact CG2-CG2 4.13Å; V217-Q287 PolarHBondContact N-O 2.81Å; V217-Q287 VanDerWaalsContact N-O 3.08Å; V217-P288 CarbonylContact O-C 3.58Å; V217-P288 WeakPolarHBondContact O-CA 3.26Å; V217-I289 PolarHBondContact O-N 3.42Å
218Y98.8Very high97.7Very high0 Ų024.4 Ų24.40%016%0.157CC..EExtended strand (participates in β ladder)trans-137.6161.9177.679.6-78.3000112.1F168 I192 T193 R194 Y195 D220 F291 A294 I298 F314F168-Y218 HydrophobicContact CE2-CE1 4.34Å; I192-Y218 HydrophobicContact CD1-CD1 3.96Å; I192-Y218 HydrophobicContact CD1-CE1 4.41Å; I192-Y218 HydrophobicContact CG1-CD1 3.8Å; I192-Y218 HydrophobicContact CG1-CE1 4.14Å; T193-Y218 WeakPolarHBondContact O-CD1 3.47Å; T193-Y218 PolarHBondContact O-N 3.34Å; R194-Y218 CarbonylContact C-O 3.6Å; R194-Y218 WeakPolarHBondContact CA-O 3.41Å; R194-Y218 HydrophobicContact CB-CD1 4.33Å; R194-Y218 HydrophobicContact CB-CE1 3.8Å; R194-Y218 HydrophobicContact CB-CE2 4.47Å; Y195-Y218 WeakPolarHBondContact CD2-O 3.19Å; Y195-Y218 PolarHBondContact N-O 3.12Å; Y218-D220 HydrophobicContact CE2-CB 3.68Å; Y218-D220 WeakPolarHBondContact CE2-OD2 3.4Å; Y218-D220 PolarHBondContact OH-OD2 3.34Å; Y218-F291 HydrophobicContact CD2-CB 4.33Å; Y218-A294 HydrophobicContact CD1-CB 3.93Å; Y218-A294 HydrophobicContact CD2-CB 3.52Å; Y218-A294 HydrophobicContact CE2-CB 4.18Å; Y218-A294 HydrophobicContact CG-CB 3.39Å; Y218-I298 HydrophobicContact CD1-CD1 4.29Å; Y218-I298 HydrophobicContact CE1-CD1 3.47Å; Y218-I298 VanDerWaalsContact CE1-CD1 3.47Å; Y218-F314 HydrophobicContact CD2-CE2 4.41Å; Y218-F314 AromaticContact CD2-CZ 3.82Å; Y218-F314 HydrophobicContact CD2-CZ 3.82Å; Y218-F314 HydrophobicContact CE2-CE1 4.35Å; Y218-F314 AromaticContact CE2-CE2 3.69Å; Y218-F314 HydrophobicContact CE2-CE2 3.69Å; Y218-F314 AromaticContact CE2-CZ 3.36Å; Y218-F314 HydrophobicContact CE2-CZ 3.36Å
219T98.6Very high97.5Very high5 Ų524.6 Ų24.63%0.03115%0.154CC..  trans-95.2115.3172.2-62.60000109.5Y195 M224 L242 F291Y195-T219 WeakPolarHBondContact CD2-OG1 3.29Å; T219-M224 HydrophobicContact CG2-CB 3.58Å; T219-M224 HydrophobicContact CG2-CE 3.79Å; T219-M224 HydrophobicContact CG2-CG 4.04Å; T219-L242 HydrophobicContact CG2-CD2 3.75Å; T219-F291 VanDerWaalsContact O-CB 3.26Å; T219-F291 WeakPolarHBondContact O-CB 3.13Å
220D98.4Very high97.3Very high1 Ų122 Ų221%0.00513%0.13CC..  trans-74.4132.9178.6-162.9-72.4000110.9R194 Y218 L222 D223 M224 G313 Y318R194-D220 HydrophobicContact CB-CB 4.31Å; R194-D220 IonicContact NH1-OD2 3.22Å; Y218-D220 HydrophobicContact CE2-CB 3.68Å; Y218-D220 WeakPolarHBondContact CE2-OD2 3.4Å; Y218-D220 PolarHBondContact OH-OD2 3.34Å; D220-L222 PolarHBondContact O-N 2.78Å; D220-L222 VanDerWaalsContact O-N 3.13Å; D220-L222 WeakPolarHBondContact OD1-CB 3.49Å; D220-L222 PolarHBondContact OD1-N 2.96Å; D220-D223 HydrophobicContact CB-CB 4.49Å; D220-D223 PolarHBondContact O-N 3.17Å; D220-M224 PolarHBondContact O-N 2.91Å; D220-G313 PolarHBondContact OD1-N 3.04Å; D220-Y318 WeakPolarHBondContact OD2-CE2 3.28Å; D220-Y318 PolarHBondContact OD2-OH 3.38Å
221P97.8Very high96.9Very high0 Ų022.2 Ų22.20%014%0.135CC..Hα-helixtrans-57.5-26.2178.2-27.835.8000114.4D223 N225 D226 G227 M229 F291 F314P221-D223 VanDerWaalsContact C-N 3.3Å; P221-N225 HydrophobicContact CB-CB 4.36Å; P221-N225 CarbonylContact O-C 3.51Å; P221-N225 VanDerWaalsContact O-CA 3.3Å; P221-N225 WeakPolarHBondContact O-CA 3.18Å; P221-N225 WeakPolarHBondContact O-CB 3.17Å; P221-N225 PolarHBondContact O-N 3.36Å; P221-D226 PolarHBondContact O-N 3Å; P221-G227 PolarHBondContact O-N 3.02Å; P221-M229 HydrophobicContact CB-CG 3.74Å; P221-M229 HydrophobicContact CG-CE 4.35Å; P221-M229 HydrophobicContact CG-CG 3.71Å; P221-M229 HydrophobicContact CG-SD 4.27Å; P221-F291 HydrophobicContact CG-CB 4.31Å; P221-F291 HydrophobicContact CG-CD1 4.26Å; P221-F291 HydrophobicContact CG-CD2 3.69Å; P221-F291 HydrophobicContact CG-CE1 4.47Å; P221-F291 HydrophobicContact CG-CE2 3.95Å; P221-F291 HydrophobicContact CG-CG 3.86Å; P221-F291 HydrophobicContact CG-CZ 4.31Å; P221-F314 HydrophobicContact CG-CD1 4.12Å; P221-F314 HydrophobicContact CG-CE1 3.76Å
222L96.6Very high96.5Very high78 Ų7827.1 Ų27.141%0.40815%0.154SC..Hα-helixtrans-69.9-30.5175.2-173.261.8000112.3D220D220-L222 PolarHBondContact O-N 2.78Å; D220-L222 VanDerWaalsContact O-N 3.13Å; D220-L222 WeakPolarHBondContact OD1-CB 3.49Å; D220-L222 PolarHBondContact OD1-N 2.96Å
223D95.1Very high96.2Very high39 Ų3932 Ų3221%0.20918%0.179CC..Hα-helixtrans-85.8-17.7-176.6-59.3-23000112.6R194 D220 P221 R543R194-D223 WeakPolarHBondContact CD-OD2 3.14Å; R194-D223 IonicContact NH1-OD1 3.89Å; R194-D223 IonicContact NH1-OD2 2.69Å; D220-D223 HydrophobicContact CB-CB 4.49Å; D220-D223 PolarHBondContact O-N 3.17Å; P221-D223 VanDerWaalsContact C-N 3.3Å; D223-R543 PolarHBondContact O-N 3.44Å
224M95Very high96.1Very high2 Ų232.3 Ų32.31%0.0118%0.177CC..Hα-helixtrans-129.1-34.9-173.1-160.367.379.900114.9T219 D220 A542 I544 P546T219-M224 HydrophobicContact CG2-CB 3.58Å; T219-M224 HydrophobicContact CG2-CE 3.79Å; T219-M224 HydrophobicContact CG2-CG 4.04Å; D220-M224 PolarHBondContact O-N 2.91Å; M224-A542 VanDerWaalsContact O-CB 3.29Å; M224-A542 WeakPolarHBondContact O-CB 3.42Å; M224-A542 HydrophobicContact SD-CB 4.46Å; M224-I544 HydrophobicContact CE-CG2 3.6Å; M224-I544 HydrophobicContact SD-CG2 3.95Å; M224-P546 HydrophobicContact CG-CB 3.77Å; M224-P546 HydrophobicContact CG-CG 4.23Å; M224-P546 HydrophobicContact SD-CB 4.5Å
225N97.5Very high96.1Very high0 Ų032.3 Ų32.30%018%0.177CC..SBendtrans-11413.7-168.9-71.8-3.5000114.1P221 G227 L228 Y241 L242P221-N225 HydrophobicContact CB-CB 4.36Å; P221-N225 CarbonylContact O-C 3.51Å; P221-N225 VanDerWaalsContact O-CA 3.3Å; P221-N225 WeakPolarHBondContact O-CA 3.18Å; P221-N225 WeakPolarHBondContact O-CB 3.17Å; P221-N225 PolarHBondContact O-N 3.36Å; N225-G227 PolarHBondContact O-N 2.86Å; N225-G227 VanDerWaalsContact O-N 3.11Å; N225-L228 HydrophobicContact CB-CB 4.36Å; N225-L228 WeakPolarHBondContact CB-O 3.15Å; N225-L228 PolarHBondContact ND2-O 3.31Å; N225-L228 VanDerWaalsContact ND2-O 3.13Å; N225-L228 VanDerWaalsContact O-CB 3.32Å; N225-L228 WeakPolarHBondContact O-CB 3.48Å; N225-L228 WeakPolarHBondContact O-CG 3.06Å; N225-L228 PolarHBondContact O-N 2.94Å; N225-Y241 VanDerWaalsContact CA-CD1 3.47Å; N225-Y241 HydrophobicContact CB-CD1 4.02Å; N225-Y241 HydrophobicContact CB-CG 4.28Å; N225-L242 PolarHBondContact ND2-O 2.81Å; N225-L242 WeakPolarHBondContact OD1-CB 3.28Å; N225-L242 PolarHBondContact OD1-N 3.31Å
226D96.6Very high96.1Very high47 Ų4732.3 Ų32.325%0.25118%0.177SC..THydrogen-bonded Turntrans54.630.4-172.3-61.8-55.9000112.7P221 Y241 T540 N541P221-D226 PolarHBondContact O-N 3Å; D226-Y241 WeakPolarHBondContact OD2-CE1 3.42Å; D226-Y241 PolarHBondContact OD2-OH 2.83Å; D226-T540 WeakPolarHBondContact OD1-CA 3.26Å; D226-T540 PolarHBondContact OD1-OG1 3.18Å; D226-T540 WeakPolarHBondContact OD2-CA 3.33Å; D226-T540 WeakPolarHBondContact OD2-CB 3.22Å; D226-T540 PolarHBondContact OD2-OG1 2.92Å; D226-N541 PolarHBondContact OD1-N 3.12Å
227G95.2Very high95.9Very high28 Ų2833.8 Ų33.829%0.28919%0.187SC..THydrogen-bonded Turntrans850.5-178.200000115.3P221 N225P221-G227 PolarHBondContact O-N 3.02Å; N225-G227 PolarHBondContact O-N 2.86Å; N225-G227 VanDerWaalsContact O-N 3.11Å
228L96.6Very high95.9Very high57 Ų5738.7 Ų38.730%0.29821%0.209SC..  trans-80.4142.7179.4-59.5173.5000112.1N225 E234 Y241N225-L228 HydrophobicContact CB-CB 4.36Å; N225-L228 WeakPolarHBondContact CB-O 3.15Å; N225-L228 PolarHBondContact ND2-O 3.31Å; N225-L228 VanDerWaalsContact ND2-O 3.13Å; N225-L228 VanDerWaalsContact O-CB 3.32Å; N225-L228 WeakPolarHBondContact O-CB 3.48Å; N225-L228 WeakPolarHBondContact O-CG 3.06Å; N225-L228 PolarHBondContact O-N 2.94Å; L228-E234 HydrophobicContact CB-CB 4.06Å; L228-E234 HydrophobicContact CB-CG 4.49Å; L228-E234 HydrophobicContact CD1-CB 4.5Å; L228-E234 HydrophobicContact CD2-CG 4.22Å; L228-Y241 HydrophobicContact CD1-CD2 3.72Å; L228-Y241 HydrophobicContact CD1-CE2 3.4Å; L228-Y241 VanDerWaalsContact CD1-CE2 3.4Å
229M95.4Very high95.8Very high32 Ų3239.8 Ų39.816%0.15822%0.217CC..  trans-138.1-15.8-167.6-65.3-177.866.700114.5P221 E234 P244 F291 F314P221-M229 HydrophobicContact CB-CG 3.74Å; P221-M229 HydrophobicContact CG-CE 4.35Å; P221-M229 HydrophobicContact CG-CG 3.71Å; P221-M229 HydrophobicContact CG-SD 4.27Å; M229-E234 PolarHBondContact N-OE2 3.39Å; M229-P244 VanDerWaalsContact O-CG 3.31Å; M229-P244 WeakPolarHBondContact O-CG 3.38Å; M229-F291 HydrophobicContact CB-CE2 4.11Å; M229-F291 HydrophobicContact CE-CD2 4.24Å; M229-F291 HydrophobicContact CE-CE2 4.27Å; M229-F291 HydrophobicContact CG-CE2 4.27Å; M229-F314 HydrophobicContact CE-CD1 3.46Å; M229-F314 VanDerWaalsContact CE-CD1 3.46Å; M229-F314 HydrophobicContact CE-CE1 4Å; M229-F314 HydrophobicContact CE-CG 4.44Å; M229-F314 HydrophobicContact SD-CD1 4.07Å
230S93.3Very high95.8Very high32 Ų3241.5 Ų41.522%0.22422%0.223CC..  trans-82.3128.3-171.2179.70000112I232 N233 E234 T235S230-I232 VanDerWaalsContact C-N 3.3Å; S230-I232 PolarHBondContact OG-N 3.44Å; S230-N233 PolarHBondContact OG-OD1 3.06Å; S230-N233 VanDerWaalsContact OG-OD1 3.09Å; S230-E234 WeakPolarHBondContact CB-OE2 3.45Å; S230-E234 PolarHBondContact N-OE2 3.31Å; S230-E234 CarbonylContact O-C 3.59Å; S230-E234 WeakPolarHBondContact O-CA 3.35Å; S230-E234 VanDerWaalsContact O-CB 3.31Å; S230-E234 WeakPolarHBondContact O-CB 3.38Å; S230-E234 PolarHBondContact O-N 3.31Å; S230-T235 PolarHBondContact O-N 3.15Å; S230-T235 PolarHBondContact O-OG1 3.18Å
231D88.8Confident95.8Very high60 Ų6043.1 Ų43.132%0.32123%0.229SC..THydrogen-bonded Turntrans-85.5-1.3168.866.9-17.7000114.1Y140 T235 P244Y140-D231 VanDerWaalsContact OH-CB 3.31Å; Y140-D231 WeakPolarHBondContact OH-CB 3.46Å; Y140-D231 PolarHBondContact OH-OD2 3.16Å; D231-T235 VanDerWaalsContact CA-OG1 3.26Å; D231-T235 WeakPolarHBondContact CA-OG1 3.21Å; D231-P244 HydrophobicContact CB-CG 4.01Å
232I90.8Very high95.8Very high133 Ų13343.2 Ų43.268%0.68223%0.23SC*.THydrogen-bonded Turntrans-75.8-31.9176.2-58.1175.6000111.1S230 H238S230-I232 VanDerWaalsContact C-N 3.3Å; S230-I232 PolarHBondContact OG-N 3.44Å; I232-H238 PolarHBondContact O-NE2 3.44Å
233N92.6Very high95.9Very high105 Ų10539.6 Ų39.656%0.56121%0.211SC*.THydrogen-bonded Turntrans-160.9-10.3-171.862-19000115.9S230S230-N233 PolarHBondContact OG-OD1 3.06Å; S230-N233 VanDerWaalsContact OG-OD1 3.09Å
234E96.4Very high96Very high60 Ų6038.1 Ų38.128%0.2820%0.204SC..THydrogen-bonded Turntrans-102.7-33.5-173.3-64.8170.5167.800113.1L228 M229 S230 S239L228-E234 HydrophobicContact CB-CB 4.06Å; L228-E234 HydrophobicContact CB-CG 4.49Å; L228-E234 HydrophobicContact CD1-CB 4.5Å; L228-E234 HydrophobicContact CD2-CG 4.22Å; M229-E234 PolarHBondContact N-OE2 3.39Å; S230-E234 WeakPolarHBondContact CB-OE2 3.45Å; S230-E234 PolarHBondContact N-OE2 3.31Å; S230-E234 CarbonylContact O-C 3.59Å; S230-E234 WeakPolarHBondContact O-CA 3.35Å; S230-E234 VanDerWaalsContact O-CB 3.31Å; S230-E234 WeakPolarHBondContact O-CB 3.38Å; S230-E234 PolarHBondContact O-N 3.31Å; E234-S239 WeakPolarHBondContact O-CB 3.42Å; E234-S239 PolarHBondContact O-OG 3.16Å
235T98.1Very high96.2Very high0 Ų038.3 Ų38.30%021%0.205CC..SBendtrans-111.4175.2-173.159.70000112.2S230 D231 H238 S239 L242S230-T235 PolarHBondContact O-N 3.15Å; S230-T235 PolarHBondContact O-OG1 3.18Å; D231-T235 VanDerWaalsContact CA-OG1 3.26Å; D231-T235 WeakPolarHBondContact CA-OG1 3.21Å; T235-H238 WeakPolarHBondContact O-CA 3.48Å; T235-H238 WeakPolarHBondContact O-CB 2.92Å; T235-H238 PolarHBondContact O-N 2.98Å; T235-S239 PolarHBondContact O-N 2.83Å; T235-L242 WeakPolarHBondContact CB-O 3.27Å; T235-L242 WeakPolarHBondContact CG2-O 3.43Å
236Y98Very high96.2Very high0 Ų038.3 Ų38.30%021%0.205CC..THydrogen-bonded Turntrans-52.7132176.5-177.6-94.7000110.4Y140 T141 S239 Y241 P243 Y552 D556 Y557 F561Y140-Y236 HydrophobicContact CD2-CD1 4.25Å; T141-Y236 HydrophobicContact CG2-CE1 4.34Å; T141-Y236 VanDerWaalsContact CG2-OH 3.26Å; T141-Y236 WeakPolarHBondContact CG2-OH 3.46Å; Y236-S239 WeakPolarHBondContact CA-O 2.99Å; Y236-Y241 PolarHBondContact N-O 3.18Å; Y236-P243 HydrophobicContact CD1-CG 4.4Å; Y236-P243 VanDerWaalsContact O-CG 3.29Å; Y236-P243 WeakPolarHBondContact O-CG 3.33Å; Y236-Y552 AromaticContact CD1-CD1 3.9Å; Y236-Y552 HydrophobicContact CD1-CD1 3.9Å; Y236-Y552 HydrophobicContact CD1-CG 4.17Å; Y236-Y552 HydrophobicContact CE1-CD1 4.11Å; Y236-D556 WeakPolarHBondContact CE2-OD2 3.43Å; Y236-D556 PolarHBondContact OH-OD2 3.15Å; Y236-Y557 AromaticContact CD2-CD2 3.71Å; Y236-Y557 HydrophobicContact CD2-CD2 3.71Å; Y236-Y557 HydrophobicContact CE2-CD2 4.15Å; Y236-Y557 HydrophobicContact CG-CD2 4.4Å; Y236-F561 HydrophobicContact CD2-CD2 4.33Å; Y236-F561 AromaticContact CD2-CE2 3.86Å; Y236-F561 HydrophobicContact CD2-CE2 3.86Å; Y236-F561 HydrophobicContact CE2-CE2 4.02Å
237P96.3Very high96.3Very high30 Ų3036.5 Ų36.520%0.19520%0.196CC..THydrogen-bonded Turncis-931318.737.5-37.7000116.2R560 F561P237-R560 PolarHBondContact O-NH2 3.19Å; P237-F561 WeakPolarHBondContact O-CZ 3.42Å
238H97.1Very high96.5Very high103 Ų10335.3 Ų35.348%0.47718%0.183SC..SBendtrans-92.7-26.3-176.4-56.7-66.7000113.7I232 T235I232-H238 PolarHBondContact O-NE2 3.44Å; T235-H238 WeakPolarHBondContact O-CA 3.48Å; T235-H238 WeakPolarHBondContact O-CB 2.92Å; T235-H238 PolarHBondContact O-N 2.98Å
239S97.6Very high96.6Very high23 Ų2332.6 Ų32.616%0.16117%0.169CC..SBendtrans-144.6-175.7178.182.60000110.7E234 T235 Y236 Y241E234-S239 WeakPolarHBondContact O-CB 3.42Å; E234-S239 PolarHBondContact O-OG 3.16Å; T235-S239 PolarHBondContact O-N 2.83Å; Y236-S239 WeakPolarHBondContact CA-O 2.99Å; S239-Y241 VanDerWaalsContact C-N 3.27Å; S239-Y241 PolarHBondContact O-N 3.14Å; S239-Y241 WeakPolarHBondContact OG-CD2 3.34Å; S239-Y241 PolarHBondContact OG-N 3.22Å
240W97.9Very high96.7Very high41 Ų4131.1 Ų31.116%0.15516%0.161CC..SBendtrans-75.9-6.4171.379.2-36.8000114.7Y535 T540 A542 P546 Y557 F561 I562W240-Y535 HydrophobicContact CH2-CD1 4.18Å; W240-Y535 HydrophobicContact CH2-CD2 4.42Å; W240-Y535 HydrophobicContact CH2-CG 4.03Å; W240-Y535 HydrophobicContact CZ3-CD1 4.04Å; W240-Y535 HydrophobicContact CZ3-CG 4.27Å; W240-T540 HydrophobicContact CH2-CG2 3.82Å; W240-T540 HydrophobicContact CZ2-CG2 3.89Å; W240-A542 HydrophobicContact CH2-CB 4.24Å; W240-A542 HydrophobicContact CZ2-CB 4.47Å; W240-P546 HydrophobicContact CD2-CG 4.17Å; W240-P546 HydrophobicContact CE3-CG 4.31Å; W240-P546 HydrophobicContact CZ2-CG 4.5Å; W240-P546 VanDerWaalsContact O-CB 3.28Å; W240-P546 WeakPolarHBondContact O-CB 3.43Å; W240-P546 WeakPolarHBondContact O-CG 3.16Å; W240-Y557 HydrophobicContact CB-CE2 4.19Å; W240-Y557 VanDerWaalsContact O-CE2 3.29Å; W240-Y557 WeakPolarHBondContact O-CE2 3.39Å; W240-Y557 PolarHBondContact O-OH 3.22Å; W240-F561 HydrophobicContact CB-CB 3.96Å; W240-F561 HydrophobicContact CB-CG 4.45Å; W240-I562 HydrophobicContact CE3-CD1 4.2Å
241Y98.6Very high97Very high35 Ų3530.2 Ų30.214%0.13716%0.156CC..SBendtrans-75.8152.2-174.4-67.2-57.6000113.1N225 D226 L228 Y236 S239 P243 P546N225-Y241 VanDerWaalsContact CA-CD1 3.47Å; N225-Y241 HydrophobicContact CB-CD1 4.02Å; N225-Y241 HydrophobicContact CB-CG 4.28Å; D226-Y241 WeakPolarHBondContact OD2-CE1 3.42Å; D226-Y241 PolarHBondContact OD2-OH 2.83Å; L228-Y241 HydrophobicContact CD1-CD2 3.72Å; L228-Y241 HydrophobicContact CD1-CE2 3.4Å; L228-Y241 VanDerWaalsContact CD1-CE2 3.4Å; Y236-Y241 PolarHBondContact N-O 3.18Å; S239-Y241 VanDerWaalsContact C-N 3.27Å; S239-Y241 PolarHBondContact O-N 3.14Å; S239-Y241 WeakPolarHBondContact OG-CD2 3.34Å; S239-Y241 PolarHBondContact OG-N 3.22Å; Y241-P243 WeakPolarHBondContact O-CD 3.42Å; Y241-P546 HydrophobicContact CD1-CG 3.97Å
242L98.5Very high97.4Very high3 Ų327.4 Ų27.42%0.01614%0.141CC..PPolyproline II helixtrans-66.1126.6-178177.862.3000110.5T219 N225 T235 F291 P546 T550T219-L242 HydrophobicContact CG2-CD2 3.75Å; N225-L242 PolarHBondContact ND2-O 2.81Å; N225-L242 WeakPolarHBondContact OD1-CB 3.28Å; N225-L242 PolarHBondContact OD1-N 3.31Å; T235-L242 WeakPolarHBondContact CB-O 3.27Å; T235-L242 WeakPolarHBondContact CG2-O 3.43Å; L242-F291 HydrophobicContact CD2-CD1 4.23Å; L242-F291 HydrophobicContact CD2-CE1 4.36Å; L242-F291 HydrophobicContact CG-CD1 4.46Å; L242-F291 HydrophobicContact CG-CE1 4.15Å; L242-F291 WeakPolarHBondContact O-CE1 3.41Å; L242-P546 HydrophobicContact CB-CB 3.92Å; L242-P546 WeakPolarHBondContact CB-O 3.49Å; L242-P546 WeakPolarHBondContact CD1-O 3.17Å; L242-P546 VanDerWaalsContact N-CB 3.27Å; L242-T550 HydrophobicContact CD1-CG2 3.7Å
243P98.3Very high97.6Very high1 Ų122 Ų221%0.00612%0.115CC..PPolyproline II helixtrans-69159.2173.5-23.136.1000113.8Y140 Y236 Y241 T245 G246 F291 Y552Y140-P243 HydrophobicContact CD2-CB 4.5Å; Y140-P243 HydrophobicContact CD2-CG 4.29Å; Y140-P243 HydrophobicContact CE2-CB 3.51Å; Y140-P243 HydrophobicContact CE2-CG 3.74Å; Y236-P243 HydrophobicContact CD1-CG 4.4Å; Y236-P243 VanDerWaalsContact O-CG 3.29Å; Y236-P243 WeakPolarHBondContact O-CG 3.33Å; Y241-P243 WeakPolarHBondContact O-CD 3.42Å; P243-T245 PolarHBondContact O-N 3.04Å; P243-T245 VanDerWaalsContact O-N 3.1Å; P243-G246 PolarHBondContact O-N 3.27Å; P243-F291 VanDerWaalsContact C-CE1 3.49Å; P243-F291 VanDerWaalsContact O-CE1 3.25Å; P243-F291 WeakPolarHBondContact O-CE1 3.26Å; P243-Y552 HydrophobicContact CB-CD2 4.31Å; P243-Y552 HydrophobicContact CB-CE2 3.74Å; P243-Y552 VanDerWaalsContact CD-CD2 3.48Å; P243-Y552 HydrophobicContact CG-CD2 3.67Å; P243-Y552 HydrophobicContact CG-CE2 3.58Å; P243-Y552 HydrophobicContact CG-CG 4.15Å
244P98.1Very high97.4Very high9 Ų922.8 Ų22.86%0.05811%0.11CC..THydrogen-bonded Turntrans-55.2-31.9-177.1-24.834.2000115.9M229 D231 G290 F291 E292M229-P244 VanDerWaalsContact O-CG 3.31Å; M229-P244 WeakPolarHBondContact O-CG 3.38Å; D231-P244 HydrophobicContact CB-CG 4.01Å; P244-G290 CarbonylContact O-C 3.4Å; P244-F291 VanDerWaalsContact CA-CE2 3.43Å; P244-F291 HydrophobicContact CB-CD2 4.29Å; P244-F291 HydrophobicContact CB-CE2 3.74Å; P244-F291 HydrophobicContact CB-CZ 3.96Å; P244-F291 HydrophobicContact CG-CE2 3.95Å; P244-F291 HydrophobicContact CG-CZ 3.93Å; P244-F291 PolarHBondContact O-N 3.17Å; P244-F291 VanDerWaalsContact O-N 3.07Å; P244-E292 HydrophobicContact CB-CB 3.78Å; P244-E292 PolarHBondContact O-N 2.94Å
245T98.2Very high97.1Very high5 Ų521.2 Ų21.23%0.03110%0.104CC..THydrogen-bonded Turntrans-95.4-2.9-17868.30000112.9E137 V138 P243 V247 Y552E137-T245 WeakPolarHBondContact CG-O 3.39Å; V138-T245 HydrophobicContact CB-CG2 4.34Å; V138-T245 WeakPolarHBondContact CB-OG1 3.31Å; V138-T245 HydrophobicContact CG2-CG2 3.65Å; V138-T245 PolarHBondContact N-OG1 2.95Å; P243-T245 PolarHBondContact O-N 3.04Å; P243-T245 VanDerWaalsContact O-N 3.1Å; T245-V247 WeakPolarHBondContact O-CG2 3.25Å; T245-Y552 PolarHBondContact OG1-OH 3.05Å
246G98.4Very high96.9Very high1 Ų121.7 Ų21.71%0.0111%0.106CC..  trans-69.5134.3179.300000112.1P243P243-G246 PolarHBondContact O-N 3.27Å
247V98.8Very high96.8Very high8 Ų821.8 Ų21.85%0.04811%0.106CC..  trans-128.9119.6-174.8-169.40000110.3P152 T245 R249 P288P152-V247 HydrophobicContact CB-CB 3.62Å; P152-V247 HydrophobicContact CB-CG1 3.52Å; P152-V247 HydrophobicContact CB-CG2 4.12Å; P152-V247 HydrophobicContact CG-CB 3.76Å; P152-V247 HydrophobicContact CG-CG1 4.21Å; P152-V247 HydrophobicContact CG-CG2 3.9Å; T245-V247 WeakPolarHBondContact O-CG2 3.25Å; V247-R249 PolarHBondContact O-N 2.67Å; V247-R249 PolarHBondContact O-NH1 3.42Å; V247-P288 HydrophobicContact CG1-CB 3.6Å; V247-P288 HydrophobicContact CG1-CG 3.96Å
248E98.6Very high96.9Very high4 Ų420.5 Ų20.52%0.01910%0.098CC..  trans-67.9115.9173176.4-177.6149.400109.1Y195 R200 R543 Y548 H549Y195-E248 HydrophobicContact CD2-CB 4.11Å; Y195-E248 HydrophobicContact CD2-CG 4.44Å; Y195-E248 HydrophobicContact CE1-CG 4.39Å; Y195-E248 HydrophobicContact CE2-CB 3.59Å; Y195-E248 HydrophobicContact CE2-CG 4.01Å; Y195-E248 PolarHBondContact OH-O 2.81Å; R200-E248 IonicContact CZ-OE1 3.78Å; R200-E248 IonicContact NE-OE1 2.86Å; R200-E248 PolarHBondContact NE-OE1 3.2Å; R200-E248 VanDerWaalsContact NE-OE1 3.1Å; R200-E248 IonicContact NH2-OE1 3.42Å; R200-E248 PolarHBondContact NH2-OE1 3.39Å; E248-R543 IonicContact OE1-NH2 3.24Å; E248-R543 IonicContact OE2-CZ 2.68Å; E248-R543 IonicContact OE2-NH1 3.98Å; E248-R543 IonicContact OE2-NH2 3.54Å; E248-R543 PolarHBondContact OE2-NH2 3.11Å; E248-Y548 HydrophobicContact CG-CD1 3.99Å; E248-Y548 HydrophobicContact CG-CE1 4.07Å; E248-H549 HydrophobicContact CG-CB 4.04Å
249R98.8Very high96.9Very high0 Ų016.4 Ų16.40%08%0.079CC..  trans-80.6173.2167.2-71.8162.4-173.672.7-6.7110.6E137 V150 P152 V247 W375 H549E137-R249 IonicContact OE1-CZ 3.52Å; E137-R249 IonicContact OE1-NH1 3.29Å; E137-R249 PolarHBondContact OE1-NH1 3.35Å; E137-R249 IonicContact OE1-NH2 3.77Å; E137-R249 PolarHBondContact OE1-NH2 2.97Å; E137-R249 IonicContact OE2-CZ 3.94Å; E137-R249 IonicContact OE2-NH1 3.43Å; E137-R249 IonicContact OE2-NH2 3.37Å; E137-R249 PolarHBondContact OE2-NH2 2.71Å; V150-R249 PolarHBondContact O-NE 2.84Å; V150-R249 PolarHBondContact O-NH2 2.84Å; P152-R249 VanDerWaalsContact CD-NH2 3.28Å; V247-R249 PolarHBondContact O-N 2.67Å; V247-R249 PolarHBondContact O-NH1 3.42Å; R249-W375 HydrophobicContact CB-CB 4.03Å; R249-W375 HydrophobicContact CB-CD2 3.49Å; R249-W375 VanDerWaalsContact CB-CD2 3.49Å; R249-W375 HydrophobicContact CB-CE3 3.85Å; R249-W375 HydrophobicContact CB-CG 3.54Å; R249-W375 HydrophobicContact CG-CD2 4.46Å; R249-W375 HydrophobicContact CG-CE3 4.43Å; R249-H549 HydrophobicContact CB-CB 4.38Å; R249-H549 PolarHBondContact N-O 3.25Å; R249-H549 WeakPolarHBondContact O-CB 3.34Å; R249-H549 PolarHBondContact O-ND1 2.96Å
250G98.3Very high96.9Very high0 Ų015.5 Ų15.50%07%0.073CC..EExtended strand (participates in β ladder)trans167.6161.3174.200000113.7A155 Y252 W375A155-G250 PolarHBondContact N-O 3.48Å; A155-G250 VanDerWaalsContact N-O 3.09Å; G250-Y252 VanDerWaalsContact O-CD2 3.28Å; G250-Y252 WeakPolarHBondContact O-CD2 3.34Å; G250-W375 VanDerWaalsContact CA-CE2 3.46Å
251A97.9Very high96.9Very high14 Ų1413.7 Ų13.712%0.1167%0.066CC..EExtended strand (participates in β ladder)trans-68.5134.7162.100000110.5Y156 E420Y156-A251 HydrophobicContact CD2-CB 4.33Å; Y156-A251 HydrophobicContact CE2-CB 4.04Å; A251-E420 VanDerWaalsContact CB-O 3.26Å; A251-E420 WeakPolarHBondContact CB-O 3.31Å
252Y97.8Very high96.8Very high0 Ų014.2 Ų14.20%07%0.074CC..  trans-105.921.1172.9-75.3-123.3000111.2A154 A155 Y195 R200 G201 V217 G250 P282 T286A154-Y252 HydrophobicContact CB-CD1 3.99Å; A154-Y252 HydrophobicContact CB-CD2 3.47Å; A154-Y252 VanDerWaalsContact CB-CD2 3.47Å; A154-Y252 HydrophobicContact CB-CE1 3.91Å; A154-Y252 HydrophobicContact CB-CE2 3.4Å; A154-Y252 HydrophobicContact CB-CG 3.8Å; A155-Y252 WeakPolarHBondContact O-CB 3.39Å; A155-Y252 PolarHBondContact O-N 3.44Å; Y195-Y252 PolarHBondContact OH-OH 3.44Å; R200-Y252 VanDerWaalsContact C-CD1 3.41Å; R200-Y252 HydrophobicContact CB-CD1 3.78Å; R200-Y252 HydrophobicContact CB-CD2 3.96Å; R200-Y252 HydrophobicContact CB-CE1 3.81Å; R200-Y252 HydrophobicContact CB-CE2 3.98Å; R200-Y252 HydrophobicContact CB-CG 3.85Å; R200-Y252 HydrophobicContact CG-CE2 4.47Å; R200-Y252 VanDerWaalsContact O-CD1 3.31Å; R200-Y252 WeakPolarHBondContact O-CD1 3.27Å; G201-Y252 WeakPolarHBondContact CA-O 3.2Å; V217-Y252 HydrophobicContact CG2-CE1 4.13Å; G250-Y252 VanDerWaalsContact O-CD2 3.28Å; G250-Y252 WeakPolarHBondContact O-CD2 3.34Å; Y252-P282 HydrophobicContact CD1-CG 4.15Å; Y252-P282 HydrophobicContact CG-CG 4.26Å; Y252-P282 WeakPolarHBondContact O-CD 3.36Å; Y252-T286 HydrophobicContact CD1-CG2 3.93Å; Y252-T286 HydrophobicContact CE1-CG2 3.53Å
253S94.4Very high96.7Very high21 Ų2119 Ų1915%0.1479%0.093CC..  trans-79.6145.9165.355.70000110.5D255 G280S253-D255 PolarHBondContact OG-O 3.17Å; S253-G280 CarbonylContact C-O 3.4Å; S253-G280 WeakPolarHBondContact CA-O 3.44Å
254R88.9Confident96.6Very high120 Ų12023 Ų2345%0.45311%0.113SC..SBendtrans-80.3-40.7170.4-177.6-16965.5-159.5-8.4111.4G280R254-G280 WeakPolarHBondContact CB-O 3.24Å; R254-G280 PolarHBondContact N-O 2.93Å
255D89.9Confident96.6Very high27 Ų2723.1 Ų23.114%0.14412%0.116CC..SBendtrans-92.3151-173.5-58.1-28.1000109.7S253 Y680S253-D255 PolarHBondContact OG-O 3.17Å; D255-Y680 HydrophobicContact CB-CG 4.43Å
256F93.5Very high96.6Very high11 Ų1122.9 Ų22.95%0.04811%0.114CC..  trans-96.8168.7174.666.8-100.9000111.4G422 L423 A427 A513 A518 A519 Y680 F682F256-G422 CarbonylContact C-O 3.59Å; F256-G422 WeakPolarHBondContact CA-O 3.26Å; F256-G422 WeakPolarHBondContact CB-O 3.29Å; F256-L423 HydrophobicContact CB-CB 4Å; F256-L423 HydrophobicContact CB-CD1 3.75Å; F256-L423 HydrophobicContact CB-CG 3.88Å; F256-L423 HydrophobicContact CG-CD1 4.1Å; F256-A427 HydrophobicContact CD2-CB 3.99Å; F256-A427 HydrophobicContact CE2-CB 4.41Å; F256-A513 HydrophobicContact CD1-CB 3.88Å; F256-A513 HydrophobicContact CE1-CB 4.48Å; F256-A518 HydrophobicContact CD1-CB 4.35Å; F256-A518 HydrophobicContact CE1-CB 4.29Å; F256-A519 HydrophobicContact CE2-CB 3.87Å; F256-Y680 HydrophobicContact CD2-CD1 4.11Å; F256-Y680 AromaticContact CD2-CE1 3.92Å; F256-Y680 HydrophobicContact CD2-CE1 3.92Å; F256-Y680 WeakPolarHBondContact CE1-O 3.33Å; F256-Y680 HydrophobicContact CE2-CD1 4.08Å; F256-Y680 AromaticContact CE2-CE1 3.85Å; F256-Y680 HydrophobicContact CE2-CE1 3.85Å; F256-Y680 HydrophobicContact CG-CD1 4.34Å; F256-Y680 HydrophobicContact CZ-CD1 4.3Å; F256-Y680 HydrophobicContact CZ-CE1 4.45Å; F256-Y680 WeakPolarHBondContact O-CD1 3.39Å; F256-Y680 WeakPolarHBondContact O-CE1 3.48Å; F256-F682 HydrophobicContact CD1-CE2 4.23Å; F256-F682 HydrophobicContact CE1-CD2 4.2Å; F256-F682 AromaticContact CE1-CE2 3.81Å; F256-F682 HydrophobicContact CE1-CE2 3.81Å; F256-F682 HydrophobicContact CE1-CZ 4.37Å
257G96.9Very high96.5Very high1 Ų125.6 Ų25.61%0.0113%0.126CC..SBendtrans81.8174-172.600000113.4L259 G422G257-L259 PolarHBondContact O-N 2.91Å; G257-G422 PolarHBondContact N-O 3.22Å
258D98.1Very high96.2Very high3 Ų330.9 Ų30.92%0.01615%0.15CC..  trans-63.6122.1174.3-178.639000110.7V107 Y108 L260 T261 A266 I424 E428V107-D258 HydrophobicContact CB-CB 4.48Å; V107-D258 HydrophobicContact CG1-CB 4.36Å; Y108-D258 VanDerWaalsContact CB-OD1 3.28Å; Y108-D258 WeakPolarHBondContact CB-OD1 3.45Å; Y108-D258 PolarHBondContact N-OD1 3.32Å; D258-L260 PolarHBondContact O-N 2.98Å; D258-L260 VanDerWaalsContact O-N 3.09Å; D258-T261 WeakPolarHBondContact CB-OG1 3.39Å; D258-T261 PolarHBondContact O-N 2.69Å; D258-T261 WeakPolarHBondContact OD2-CG2 2.95Å; D258-T261 PolarHBondContact OD2-OG1 2.71Å; D258-A266 HydrophobicContact CB-CB 4.29Å; D258-I424 HydrophobicContact CB-CG2 4.32Å; D258-E428 WeakPolarHBondContact CB-OE1 2.98Å; D258-E428 PolarHBondContact N-OE1 3.37Å
259L97.4Very high96Very high17 Ų1738.3 Ų38.39%0.08919%0.19CC..THydrogen-bonded Turntrans-64.7-18.7-176.3-59179.9000112.9Y108 Y156 G257 I273 I278 I281Y108-L259 HydrophobicContact CD1-CB 4.47Å; Y156-L259 HydrophobicContact CD1-CD1 3.87Å; Y156-L259 HydrophobicContact CD2-CD1 4.38Å; Y156-L259 HydrophobicContact CE1-CD1 3.82Å; Y156-L259 HydrophobicContact CE2-CD1 4.32Å; Y156-L259 HydrophobicContact CG-CD1 4.15Å; G257-L259 PolarHBondContact O-N 2.91Å; L259-I273 WeakPolarHBondContact O-CD1 3.42Å; L259-I278 HydrophobicContact CB-CD1 4.21Å; L259-I278 HydrophobicContact CB-CG1 4.23Å; L259-I278 HydrophobicContact CB-CG2 4.04Å; L259-I278 HydrophobicContact CD1-CG2 3.96Å; L259-I278 HydrophobicContact CG-CG2 4.48Å; L259-I281 HydrophobicContact CD1-CG2 3.74Å
260L97.9Very high96Very high5 Ų539.8 Ų39.83%0.02620%0.198CC..THydrogen-bonded Turntrans-92.9-18.7179.4-64.4-172.2000114.3Y108 D258 P262 R272 I273 T275 I278 I346Y108-L260 HydrophobicContact CD1-CG 4.24Å; Y108-L260 HydrophobicContact CD2-CD1 3.82Å; Y108-L260 HydrophobicContact CD2-CG 4.35Å; Y108-L260 HydrophobicContact CG-CD1 3.77Å; Y108-L260 HydrophobicContact CG-CG 3.84Å; D258-L260 PolarHBondContact O-N 2.98Å; D258-L260 VanDerWaalsContact O-N 3.09Å; L260-P262 WeakPolarHBondContact O-CD 3.17Å; L260-R272 HydrophobicContact CB-CB 4.05Å; L260-R272 HydrophobicContact CB-CG 3.89Å; L260-R272 CarbonylContact O-C 3.57Å; L260-R272 VanDerWaalsContact O-CA 3.25Å; L260-R272 WeakPolarHBondContact O-CA 3.44Å; L260-I273 HydrophobicContact CD2-CG1 4.08Å; L260-I273 WeakPolarHBondContact CD2-O 3.49Å; L260-I273 PolarHBondContact O-N 2.88Å; L260-T275 HydrophobicContact CD2-CG2 4.12Å; L260-I278 HydrophobicContact CD2-CD1 3.57Å; L260-I278 HydrophobicContact CD2-CG1 3.81Å; L260-I278 HydrophobicContact CG-CD1 4.46Å; L260-I346 HydrophobicContact CD1-CD1 3.89Å; L260-I346 HydrophobicContact CD1-CG1 4.04Å
261T97.6Very high95.9Very high2 Ų247.2 Ų47.21%0.01223%0.228CC..SBendtrans-125.750-175.663.60000113.3D258 Y263 L264 A266 T270 Y271 R272D258-T261 WeakPolarHBondContact CB-OG1 3.39Å; D258-T261 PolarHBondContact O-N 2.69Å; D258-T261 WeakPolarHBondContact OD2-CG2 2.95Å; D258-T261 PolarHBondContact OD2-OG1 2.71Å; T261-Y263 PolarHBondContact O-N 2.8Å; T261-Y263 VanDerWaalsContact O-N 3.15Å; T261-L264 WeakPolarHBondContact CB-O 3.39Å; T261-L264 CarbonylContact O-C 3.57Å; T261-L264 PolarHBondContact O-N 2.72Å; T261-L264 PolarHBondContact OG1-O 3.23Å; T261-A266 HydrophobicContact CG2-CB 4.2Å; T261-T270 HydrophobicContact CG2-CG2 3.83Å; T261-Y271 WeakPolarHBondContact CG2-O 3.48Å; T261-R272 HydrophobicContact CG2-CG 3.51Å
262P96Very high96Very high47 Ų4748.8 Ų48.831%0.30523%0.23SC..THydrogen-bonded Turntrans-55.9125.7-178.425.5-35.1000111.6L260 L264 Y680L260-P262 WeakPolarHBondContact O-CD 3.17Å; P262-L264 VanDerWaalsContact C-N 3.28Å; P262-L264 PolarHBondContact O-N 2.95Å; P262-Y680 HydrophobicContact CB-CD2 3.98Å; P262-Y680 HydrophobicContact CB-CE2 3.5Å
263Y95.8Very high96Very high103 Ų10350.7 Ų50.740%0.40424%0.24SC..THydrogen-bonded Turntrans69.113.5-177.6-47.8-66.6000115.6T261 E431 Y523 Y680T261-Y263 PolarHBondContact O-N 2.8Å; T261-Y263 VanDerWaalsContact O-N 3.15Å; Y263-E431 VanDerWaalsContact C-OE1 3.27Å; Y263-E431 WeakPolarHBondContact CA-OE1 3.2Å; Y263-E431 PolarHBondContact N-OE1 3.23Å; Y263-Y523 AromaticContact CD1-CE2 3.66Å; Y263-Y523 HydrophobicContact CD1-CE2 3.66Å; Y263-Y523 HydrophobicContact CE1-CD2 4.49Å; Y263-Y523 HydrophobicContact CE1-CE2 4.02Å; Y263-Y680 HydrophobicContact CD1-CD2 4.43Å; Y263-Y680 AromaticContact CD1-CE2 3.7Å; Y263-Y680 HydrophobicContact CD1-CE2 3.7Å; Y263-Y680 HydrophobicContact CD2-CE2 4.06Å; Y263-Y680 AromaticContact CE1-CD2 3.87Å; Y263-Y680 HydrophobicContact CE1-CD2 3.87Å; Y263-Y680 AromaticContact CE1-CE2 3.58Å; Y263-Y680 HydrophobicContact CE1-CE2 3.58Å; Y263-Y680 AromaticContact CE2-CD2 3.98Å; Y263-Y680 HydrophobicContact CE2-CD2 3.98Å; Y263-Y680 AromaticContact CE2-CE2 3.93Å; Y263-Y680 HydrophobicContact CE2-CE2 3.93Å; Y263-Y680 AromaticContact CG-CE2 3.97Å; Y263-Y680 HydrophobicContact CG-CE2 3.97Å; Y263-Y680 AromaticContact CZ-CD2 3.62Å; Y263-Y680 AromaticContact CZ-CE2 3.7Å; Y263-Y680 PolarHBondContact N-OH 2.8Å
264L97.2Very high96.1Very high84 Ų8452 Ų5244%0.4425%0.248SC..SBendtrans-138.9121.3-179.4-65.6175000110.3T261 P262 A266 T270 E431T261-L264 WeakPolarHBondContact CB-O 3.39Å; T261-L264 CarbonylContact O-C 3.57Å; T261-L264 PolarHBondContact O-N 2.72Å; T261-L264 PolarHBondContact OG1-O 3.23Å; P262-L264 VanDerWaalsContact C-N 3.28Å; P262-L264 PolarHBondContact O-N 2.95Å; L264-A266 PolarHBondContact O-N 3.26Å; L264-T270 HydrophobicContact CB-CG2 3.72Å; L264-T270 HydrophobicContact CD1-CG2 4.32Å; L264-E431 PolarHBondContact N-OE1 2.78Å; L264-E431 VanDerWaalsContact N-OE1 3.15Å
265A97.6Very high96.4Very high13 Ų1349.8 Ų49.811%0.10725%0.248CC..  trans-56.6129.4176.900000112.6Y105 K267 T270 E428 E431 E432Y105-A265 HydrophobicContact CE1-CB 4.3Å; A265-K267 VanDerWaalsContact C-N 3.28Å; A265-K267 PolarHBondContact O-N 2.93Å; A265-T270 WeakPolarHBondContact O-CB 3.25Å; A265-T270 VanDerWaalsContact O-CG2 3.32Å; A265-T270 WeakPolarHBondContact O-CG2 3.49Å; A265-T270 PolarHBondContact O-OG1 2.96Å; A265-E428 WeakPolarHBondContact CA-OE2 3.44Å; A265-E431 HydrophobicContact CB-CB 4.25Å; A265-E432 HydrophobicContact CB-CB 3.66Å; A265-E432 HydrophobicContact CB-CG 4.45Å
266A98.1Very high96.5Very high0 Ų055.6 Ų55.60%028%0.275CS..  trans-71.569.9-174.100000113Y105 K106 V107 D258 T261 L264 E428Y105-A266 CarbonylContact C-O 3.55Å; Y105-A266 WeakPolarHBondContact CA-O 3.22Å; K106-A266 PolarHBondContact N-O 3.45Å; V107-A266 HydrophobicContact CG1-CB 3.93Å; D258-A266 HydrophobicContact CB-CB 4.29Å; T261-A266 HydrophobicContact CG2-CB 4.2Å; L264-A266 PolarHBondContact O-N 3.26Å; A266-E428 HydrophobicContact CB-CG 4.42Å; A266-E428 VanDerWaalsContact CB-OE2 3.24Å; A266-E428 WeakPolarHBondContact CB-OE2 3.46Å; A266-E428 PolarHBondContact N-OE2 2.91Å
267K97.3Very high96.6Very high58 Ų5859.7 Ų59.725%0.25230%0.297SS..  trans-87.4172.7172.8-56.9-57.2-177.3-1710111.7E104 Y105 A265 N269 T270 R272 E432E104-K267 PolarHBondContact O-NZ 2.93Å; E104-K267 VanDerWaalsContact O-NZ 3.16Å; Y105-K267 HydrophobicContact CD1-CD 4.31Å; A265-K267 VanDerWaalsContact C-N 3.28Å; A265-K267 PolarHBondContact O-N 2.93Å; K267-N269 VanDerWaalsContact C-N 3.27Å; K267-N269 PolarHBondContact O-N 2.77Å; K267-T270 WeakPolarHBondContact CA-OG1 3.16Å; K267-T270 WeakPolarHBondContact CB-OG1 3.47Å; K267-T270 PolarHBondContact N-OG1 2.68Å; K267-T270 PolarHBondContact O-N 3.04Å; K267-T270 PolarHBondContact O-OG1 3.15Å; K267-R272 PolarHBondContact O-NH1 2.94Å; K267-R272 PolarHBondContact O-NH2 3.15Å; K267-E432 WeakPolarHBondContact CE-OE1 3.42Å; K267-E432 WeakPolarHBondContact CE-OE2 3.36Å; K267-E432 VanDerWaalsContact NZ-CD 3.26Å; K267-E432 IonicContact NZ-OE1 3.61Å; K267-E432 PolarHBondContact NZ-OE1 3.42Å; K267-E432 IonicContact NZ-OE2 2.74Å; K267-E432 PolarHBondContact NZ-OE2 2.9Å
268E92.9Very high96.5Very high119 Ų11960.5 Ų60.556%0.55630%0.301SS*.THydrogen-bonded Turntrans-53.7-41.7-175.2-171.560.7-154.200112.8K106K106-E268 WeakPolarHBondContact CD-OE2 3.39Å; K106-E268 IonicContact NZ-OE1 2.97Å; K106-E268 PolarHBondContact NZ-OE1 3.42Å; K106-E268 IonicContact NZ-OE2 3.34Å; K106-E268 PolarHBondContact NZ-OE2 2.9Å
269N93.9Very high96.2Very high160 Ų16064.8 Ų64.886%0.85633%0.327SS*.THydrogen-bonded Turntrans-108.715.4-177.6-61.3-47.5000113.5K267K267-N269 VanDerWaalsContact C-N 3.27Å; K267-N269 PolarHBondContact O-N 2.77Å
270T97.8Very high96Very high30 Ų3064.4 Ų64.418%0.18433%0.328CS..  trans-67.3138.1176.3-59.90000110.3T261 L264 A265 K267 R272T261-T270 HydrophobicContact CG2-CG2 3.83Å; L264-T270 HydrophobicContact CB-CG2 3.72Å; L264-T270 HydrophobicContact CD1-CG2 4.32Å; A265-T270 WeakPolarHBondContact O-CB 3.25Å; A265-T270 VanDerWaalsContact O-CG2 3.32Å; A265-T270 WeakPolarHBondContact O-CG2 3.49Å; A265-T270 PolarHBondContact O-OG1 2.96Å; K267-T270 WeakPolarHBondContact CA-OG1 3.16Å; K267-T270 WeakPolarHBondContact CB-OG1 3.47Å; K267-T270 PolarHBondContact N-OG1 2.68Å; K267-T270 PolarHBondContact O-N 3.04Å; K267-T270 PolarHBondContact O-OG1 3.15Å; T270-R272 PolarHBondContact O-N 2.62Å; T270-R272 PolarHBondContact O-NH1 2.85Å
271Y97.8Very high95.9Very high156 Ų15666.1 Ų66.161%0.61234%0.337SS*.  trans-59133172.2170.7-98.5000110.2T261 I273T261-Y271 WeakPolarHBondContact CG2-O 3.48Å; Y271-I273 HydrophobicContact CE1-CG2 3.92Å
272R98.3Very high95.9Very high47 Ų4766.2 Ų66.218%0.17734%0.337CS..  trans-118.7135.1176.2-76.7172.3-177.274.3-1.1109.1K106 L260 T261 K267 T270K106-R272 PolarHBondContact O-NH2 3Å; L260-R272 HydrophobicContact CB-CB 4.05Å; L260-R272 HydrophobicContact CB-CG 3.89Å; L260-R272 CarbonylContact O-C 3.57Å; L260-R272 VanDerWaalsContact O-CA 3.25Å; L260-R272 WeakPolarHBondContact O-CA 3.44Å; T261-R272 HydrophobicContact CG2-CG 3.51Å; K267-R272 PolarHBondContact O-NH1 2.94Å; K267-R272 PolarHBondContact O-NH2 3.15Å; T270-R272 PolarHBondContact O-N 2.62Å; T270-R272 PolarHBondContact O-NH1 2.85Å
273I97.8Very high96Very high40 Ų4067.7 Ų67.721%0.20535%0.347CS..  trans-64.6156.3168.963.5165.9000109.9L259 L260 Y271 D277 I278L259-I273 WeakPolarHBondContact O-CD1 3.42Å; L260-I273 HydrophobicContact CD2-CG1 4.08Å; L260-I273 WeakPolarHBondContact CD2-O 3.49Å; L260-I273 PolarHBondContact O-N 2.88Å; Y271-I273 HydrophobicContact CE1-CG2 3.92Å; I273-D277 HydrophobicContact CD1-CB 4.32Å; I273-I278 HydrophobicContact CD1-CG1 4.29Å
274P97.2Very high96.1Very high48 Ų4863.6 Ų63.631%0.31233%0.331SS..  trans-58.8145.9167.7-21.733.2000111.6E276 D277P274-E276 HydrophobicContact CB-CG 3.89Å; P274-E276 WeakPolarHBondContact CB-OE1 3.4Å; P274-E276 WeakPolarHBondContact CB-OE2 3.46Å; P274-E276 PolarHBondContact O-N 2.97Å; P274-D277 VanDerWaalsContact CD-OD2 3.31Å; P274-D277 WeakPolarHBondContact CD-OD2 3.48Å; P274-D277 WeakPolarHBondContact CG-OD2 3.41Å; P274-D277 WeakPolarHBondContact O-CB 3.24Å; P274-D277 PolarHBondContact O-N 2.73Å
275T94.4Very high96.2Very high75 Ų7560.3 Ų60.346%0.4632%0.315SS..G310 helixtrans-62-31-179.742.20000113.1Y108 L260 D277 I278Y108-T275 HydrophobicContact CE2-CG2 4.08Å; L260-T275 HydrophobicContact CD2-CG2 4.12Å; T275-D277 PolarHBondContact O-N 3.32Å; T275-I278 WeakPolarHBondContact O-CB 3.41Å; T275-I278 WeakPolarHBondContact O-CG1 3.3Å; T275-I278 PolarHBondContact O-N 3.29Å
276E94Very high96.2Very high149 Ų14959.7 Ų59.770%0.69631%0.31SS*.G310 helixtrans-68.8-17.917657.7-91.8-143.700113.5P274P274-E276 HydrophobicContact CB-CG 3.89Å; P274-E276 WeakPolarHBondContact CB-OE1 3.4Å; P274-E276 WeakPolarHBondContact CB-OE2 3.46Å; P274-E276 PolarHBondContact O-N 2.97Å
277D95.2Very high96.3Very high97 Ų9760.2 Ų60.252%0.51931%0.313SS..G310 helixtrans-93-2.7178.2-67.1-19.9000112.3I273 P274 T275 T279I273-D277 HydrophobicContact CD1-CB 4.32Å; P274-D277 VanDerWaalsContact CD-OD2 3.31Å; P274-D277 WeakPolarHBondContact CD-OD2 3.48Å; P274-D277 WeakPolarHBondContact CG-OD2 3.41Å; P274-D277 WeakPolarHBondContact O-CB 3.24Å; P274-D277 PolarHBondContact O-N 2.73Å; T275-D277 PolarHBondContact O-N 3.32Å; D277-T279 PolarHBondContact O-N 3.35Å
278I94.5Very high96.3Very high18 Ų1857.6 Ų57.69%0.09230%0.301CS..  trans-62.7128.9173.1-64.4166.3000108.9Y108 L259 L260 I273 T275 I281Y108-I278 HydrophobicContact CD1-CD1 3.95Å; Y108-I278 HydrophobicContact CE1-CD1 3.52Å; L259-I278 HydrophobicContact CB-CD1 4.21Å; L259-I278 HydrophobicContact CB-CG1 4.23Å; L259-I278 HydrophobicContact CB-CG2 4.04Å; L259-I278 HydrophobicContact CD1-CG2 3.96Å; L259-I278 HydrophobicContact CG-CG2 4.48Å; L260-I278 HydrophobicContact CD2-CD1 3.57Å; L260-I278 HydrophobicContact CD2-CG1 3.81Å; L260-I278 HydrophobicContact CG-CD1 4.46Å; I273-I278 HydrophobicContact CD1-CG1 4.29Å; T275-I278 WeakPolarHBondContact O-CB 3.41Å; T275-I278 WeakPolarHBondContact O-CG1 3.3Å; T275-I278 PolarHBondContact O-N 3.29Å; I278-I281 HydrophobicContact CB-CD1 4.22Å; I278-I281 HydrophobicContact CG2-CD1 3.77Å; I278-I281 HydrophobicContact CG2-CG1 4.01Å; I278-I281 HydrophobicContact CG2-CG2 3.88Å
279T92.3Very high96.6Very high92 Ų9252.1 Ų52.156%0.56428%0.276SS*.  trans-111.2168.8174.273.80000111.1D277 I281D277-T279 PolarHBondContact O-N 3.35Å; T279-I281 VanDerWaalsContact C-N 3.27Å; T279-I281 PolarHBondContact O-N 3.23Å
280G91.8Very high96.8Very high10 Ų1044.6 Ų44.610%0.10324%0.236CC..SBendtrans74.510.8175.300000115.4S253 R254S253-G280 CarbonylContact C-O 3.4Å; S253-G280 WeakPolarHBondContact CA-O 3.44Å; R254-G280 WeakPolarHBondContact CB-O 3.24Å; R254-G280 PolarHBondContact N-O 2.93Å
281I96.2Very high96.9Very high41 Ų4143.3 Ų43.321%0.2123%0.228CC..SBendtrans-106.7164172.561.6171000110.9Y156 L259 I278 T279Y156-I281 HydrophobicContact CG-CG2 4.33Å; L259-I281 HydrophobicContact CD1-CG2 3.74Å; I278-I281 HydrophobicContact CB-CD1 4.22Å; I278-I281 HydrophobicContact CG2-CD1 3.77Å; I278-I281 HydrophobicContact CG2-CG1 4.01Å; I278-I281 HydrophobicContact CG2-CG2 3.88Å; T279-I281 VanDerWaalsContact C-N 3.27Å; T279-I281 PolarHBondContact O-N 3.23Å
282P97.6Very high96.9Very high4 Ų438.9 Ų38.93%0.02621%0.213CC..  trans-59.6130.1179.4-25.838000111.7P158 A204 Y252 I284P158-P282 WeakPolarHBondContact CD-O 3.48Å; A204-P282 HydrophobicContact CB-CB 3.69Å; A204-P282 HydrophobicContact CB-CG 4.29Å; Y252-P282 HydrophobicContact CD1-CG 4.15Å; Y252-P282 HydrophobicContact CG-CG 4.26Å; Y252-P282 WeakPolarHBondContact O-CD 3.36Å; P282-I284 VanDerWaalsContact C-N 3.31Å
283P97.5Very high96.9Very high78 Ų7837 Ų3751%0.50621%0.206SC..SBendtrans-85.1-5.6174.534-36.7000113.1A208A208-P283 HydrophobicContact CB-CB 4.4Å; A208-P283 HydrophobicContact CB-CG 3.42Å; A208-P283 VanDerWaalsContact CB-CG 3.42Å
284I98.6Very high97Very high16 Ų1635.1 Ų35.18%0.08220%0.197CC..SBendtrans-133.2149.6-176.156174.6000111A204 A207 A208 V212 L215 P282 T286A204-I284 HydrophobicContact CB-CG1 4.11Å; A207-I284 HydrophobicContact CB-CD1 4.06Å; A208-I284 HydrophobicContact CB-CD1 4.26Å; A208-I284 HydrophobicContact CB-CG1 4.44Å; A208-I284 HydrophobicContact CB-CG2 3.96Å; V212-I284 HydrophobicContact CB-CD1 4.46Å; V212-I284 HydrophobicContact CG1-CD1 4.13Å; L215-I284 HydrophobicContact CB-CD1 4.43Å; P282-I284 VanDerWaalsContact C-N 3.31Å; I284-T286 PolarHBondContact O-N 2.93Å; I284-T286 PolarHBondContact O-OG1 3.29Å
285P98.7Very high97Very high15 Ų1534.1 Ų34.110%0.09719%0.191CC..  trans-52.4125.2175.9-27.334.9000111.8A162 G214 L215 L338 I340A162-P285 HydrophobicContact CB-CG 4.46Å; G214-P285 CarbonylContact C-O 3.55Å; G214-P285 VanDerWaalsContact CA-O 3.24Å; G214-P285 WeakPolarHBondContact CA-O 3.39Å; L215-P285 PolarHBondContact N-O 3.07Å; P285-L338 HydrophobicContact CB-CD2 4.35Å; P285-L338 WeakPolarHBondContact O-CD2 3.46Å; P285-I340 HydrophobicContact CB-CB 4.21Å; P285-I340 HydrophobicContact CB-CG1 3.72Å
286T98.8Very high97.2Very high0 Ų033.1 Ų33.10%019%0.185CC..EExtended strand (participates in β ladder)trans-131.2133.4-173.5-58.10000109.8A154 S157 L215 V217 Y252 I284A154-T286 HydrophobicContact CB-CG2 4.07Å; A154-T286 WeakPolarHBondContact CB-O 3.38Å; S157-T286 PolarHBondContact OG-N 2.96Å; S157-T286 PolarHBondContact OG-O 3.37Å; L215-T286 HydrophobicContact CB-CG2 4.04Å; L215-T286 HydrophobicContact CD2-CG2 3.87Å; L215-T286 HydrophobicContact CG-CG2 4.21Å; L215-T286 CarbonylContact O-C 3.43Å; L215-T286 VanDerWaalsContact O-CA 3.25Å; L215-T286 WeakPolarHBondContact O-CA 3.26Å; V217-T286 HydrophobicContact CG2-CG2 4.13Å; Y252-T286 HydrophobicContact CD1-CG2 3.93Å; Y252-T286 HydrophobicContact CE1-CG2 3.53Å; I284-T286 PolarHBondContact O-N 2.93Å; I284-T286 PolarHBondContact O-OG1 3.29Å
287Q98.9Very high97.4Very high12 Ų1226.1 Ų26.16%0.05615%0.152CC..EExtended strand (participates in β ladder)trans-140.5126.1-178.7179.159.945.800111.8N118 V120 P152 L215 L216 V217 I289 I340N118-Q287 PolarHBondContact ND2-OE1 3.25Å; V120-Q287 HydrophobicContact CG2-CB 4.07Å; V120-Q287 HydrophobicContact CG2-CG 3.71Å; P152-Q287 PolarHBondContact O-NE2 2.8Å; L215-Q287 PolarHBondContact O-N 3.42Å; L216-Q287 WeakPolarHBondContact CA-O 3.45Å; L216-Q287 HydrophobicContact CD2-CB 4.12Å; V217-Q287 PolarHBondContact N-O 2.81Å; V217-Q287 VanDerWaalsContact N-O 3.08Å; Q287-I289 HydrophobicContact CG-CG2 4.34Å; Q287-I340 HydrophobicContact CB-CD1 3.85Å; Q287-I340 HydrophobicContact CG-CD1 4.33Å
288P98.9Very high97.6Very high2 Ų221.5 Ų21.51%0.01313%0.127CC..EExtended strand (participates in β ladder)trans-77.5146.517034.2-37.1000111.2Y195 V217 V247Y195-P288 HydrophobicContact CE2-CB 4.45Å; Y195-P288 WeakPolarHBondContact OH-CB 3.37Å; V217-P288 CarbonylContact O-C 3.58Å; V217-P288 WeakPolarHBondContact O-CA 3.26Å; V247-P288 HydrophobicContact CG1-CB 3.6Å; V247-P288 HydrophobicContact CG1-CG 3.96Å
289I98.9Very high97.8Very high4 Ų422.2 Ų22.22%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-136.8158.1-177.569171.5000111.5V133 I192 L216 V217 Q287 D293 A294 L297V133-I289 HydrophobicContact CG1-CB 3.88Å; V133-I289 HydrophobicContact CG1-CG2 3.59Å; I192-I289 HydrophobicContact CD1-CD1 3.97Å; L216-I289 HydrophobicContact CB-CD1 4.47Å; L216-I289 HydrophobicContact CD1-CD1 4.3Å; L216-I289 HydrophobicContact CD2-CG2 4.16Å; V217-I289 PolarHBondContact O-N 3.42Å; Q287-I289 HydrophobicContact CG-CG2 4.34Å; I289-D293 HydrophobicContact CD1-CB 4.42Å; I289-A294 HydrophobicContact CD1-CB 3.93Å; I289-A294 HydrophobicContact CG1-CB 4.29Å; I289-L297 HydrophobicContact CD1-CD1 4.11Å
290G98.7Very high98Very high2 Ų218.2 Ų18.22%0.02111%0.11CC..  trans-69.7154.8175.200000111.8P244 E292 D293 A294P244-G290 CarbonylContact O-C 3.4Å; G290-E292 VanDerWaalsContact C-N 3.26Å; G290-E292 PolarHBondContact O-N 2.86Å; G290-D293 PolarHBondContact O-N 2.69Å; G290-A294 PolarHBondContact O-N 2.98Å
291F98.6Very high98.3Very high3 Ų317.8 Ų17.81%0.01311%0.105CC..Hα-helixtrans-73-18.7-178.672.6-112.1000113.5Y218 T219 P221 M229 L242 P243 P244 S295 F314Y218-F291 HydrophobicContact CD2-CB 4.33Å; T219-F291 VanDerWaalsContact O-CB 3.26Å; T219-F291 WeakPolarHBondContact O-CB 3.13Å; P221-F291 HydrophobicContact CG-CB 4.31Å; P221-F291 HydrophobicContact CG-CD1 4.26Å; P221-F291 HydrophobicContact CG-CD2 3.69Å; P221-F291 HydrophobicContact CG-CE1 4.47Å; P221-F291 HydrophobicContact CG-CE2 3.95Å; P221-F291 HydrophobicContact CG-CG 3.86Å; P221-F291 HydrophobicContact CG-CZ 4.31Å; M229-F291 HydrophobicContact CB-CE2 4.11Å; M229-F291 HydrophobicContact CE-CD2 4.24Å; M229-F291 HydrophobicContact CE-CE2 4.27Å; M229-F291 HydrophobicContact CG-CE2 4.27Å; L242-F291 HydrophobicContact CD2-CD1 4.23Å; L242-F291 HydrophobicContact CD2-CE1 4.36Å; L242-F291 HydrophobicContact CG-CD1 4.46Å; L242-F291 HydrophobicContact CG-CE1 4.15Å; L242-F291 WeakPolarHBondContact O-CE1 3.41Å; P243-F291 VanDerWaalsContact C-CE1 3.49Å; P243-F291 VanDerWaalsContact O-CE1 3.25Å; P243-F291 WeakPolarHBondContact O-CE1 3.26Å; P244-F291 VanDerWaalsContact CA-CE2 3.43Å; P244-F291 HydrophobicContact CB-CD2 4.29Å; P244-F291 HydrophobicContact CB-CE2 3.74Å; P244-F291 HydrophobicContact CB-CZ 3.96Å; P244-F291 HydrophobicContact CG-CE2 3.95Å; P244-F291 HydrophobicContact CG-CZ 3.93Å; P244-F291 PolarHBondContact O-N 3.17Å; P244-F291 VanDerWaalsContact O-N 3.07Å; F291-S295 WeakPolarHBondContact O-CB 3.46Å; F291-S295 PolarHBondContact O-N 3.16Å; F291-F314 HydrophobicContact CB-CE1 4.03Å; F291-F314 HydrophobicContact CB-CZ 4.17Å; F291-F314 HydrophobicContact CD2-CE1 4.32Å; F291-F314 WeakPolarHBondContact O-CZ 3.13Å
292E98.2Very high98.3Very high64 Ų6416.4 Ų16.430%0.29910%0.1SC..Hα-helixtrans-59.1-50.5167.5-177.2177.4-117.300111.2R134 P244 G290 S295 T296R134-E292 IonicContact CZ-OE2 3.19Å; R134-E292 VanDerWaalsContact CZ-OE2 3.23Å; R134-E292 IonicContact NE-OE2 3.46Å; R134-E292 PolarHBondContact NE-OE2 3.17Å; R134-E292 IonicContact NH2-OE1 3.13Å; R134-E292 IonicContact NH2-OE2 3.11Å; R134-E292 PolarHBondContact NH2-OE2 3.24Å; P244-E292 HydrophobicContact CB-CB 3.78Å; P244-E292 PolarHBondContact O-N 2.94Å; G290-E292 VanDerWaalsContact C-N 3.26Å; G290-E292 PolarHBondContact O-N 2.86Å; E292-S295 PolarHBondContact O-N 3.25Å; E292-T296 PolarHBondContact O-N 3.42Å; E292-T296 VanDerWaalsContact O-N 3.1Å; E292-T296 PolarHBondContact O-OG1 3.43Å; E292-T296 VanDerWaalsContact O-OG1 3.11Å
293D98.7Very high98.2Very high7 Ų717.7 Ų17.74%0.03711%0.114CC..Hα-helixtrans-69.5-42.4-179.4-64.9-37.3000110.4F131 V133 R134 I289 G290 S295 T296 L297F131-D293 HydrophobicContact CE1-CB 4.5Å; F131-D293 HydrophobicContact CZ-CB 4.31Å; F131-D293 WeakPolarHBondContact CZ-OD1 3.5Å; V133-D293 HydrophobicContact CB-CB 4.49Å; V133-D293 HydrophobicContact CG1-CB 4.03Å; V133-D293 WeakPolarHBondContact CG1-OD2 3.39Å; V133-D293 HydrophobicContact CG2-CB 4.27Å; R134-D293 PolarHBondContact N-OD2 2.83Å; I289-D293 HydrophobicContact CD1-CB 4.42Å; G290-D293 PolarHBondContact O-N 2.69Å; D293-S295 VanDerWaalsContact C-N 3.33Å; D293-S295 PolarHBondContact O-N 2.94Å; D293-T296 WeakPolarHBondContact O-CB 3.49Å; D293-T296 PolarHBondContact O-N 3.03Å; D293-L297 WeakPolarHBondContact O-CG 3.24Å; D293-L297 PolarHBondContact O-N 3.05Å
294A98.8Very high98.1Very high0 Ų020.9 Ų20.90%012%0.123CC..Hα-helixtrans-60.4-41174.700000112.3I192 Y218 I289 G290 T296 L297 I298 F314I192-A294 HydrophobicContact CD1-CB 4.06Å; Y218-A294 HydrophobicContact CD1-CB 3.93Å; Y218-A294 HydrophobicContact CD2-CB 3.52Å; Y218-A294 HydrophobicContact CE2-CB 4.18Å; Y218-A294 HydrophobicContact CG-CB 3.39Å; I289-A294 HydrophobicContact CD1-CB 3.93Å; I289-A294 HydrophobicContact CG1-CB 4.29Å; G290-A294 PolarHBondContact O-N 2.98Å; A294-T296 VanDerWaalsContact C-N 3.34Å; A294-T296 PolarHBondContact O-N 3.1Å; A294-L297 PolarHBondContact O-N 3.44Å; A294-I298 WeakPolarHBondContact O-CB 3.43Å; A294-I298 WeakPolarHBondContact O-CG1 3.47Å; A294-I298 PolarHBondContact O-N 2.83Å; A294-F314 HydrophobicContact CB-CE2 4.25Å; A294-F314 HydrophobicContact CB-CZ 4.01Å
295S98.4Very high98Very high27 Ų2723.8 Ų23.819%0.18914%0.142CC..Hα-helixtrans-60.4-44.5175.1177.10000111.3F291 E292 D293 L297 C299 F314F291-S295 WeakPolarHBondContact O-CB 3.46Å; F291-S295 PolarHBondContact O-N 3.16Å; E292-S295 PolarHBondContact O-N 3.25Å; D293-S295 VanDerWaalsContact C-N 3.33Å; D293-S295 PolarHBondContact O-N 2.94Å; S295-L297 VanDerWaalsContact C-N 3.32Å; S295-L297 PolarHBondContact O-N 2.96Å; S295-C299 WeakPolarHBondContact O-CB 3.45Å; S295-C299 PolarHBondContact O-N 3.21Å; S295-C299 PolarHBondContact O-SG 3.18Å; S295-F314 VanDerWaalsContact CA-CE2 3.5Å
296T98.4Very high98Very high55 Ų5523.5 Ų23.534%0.33714%0.141SC..Hα-helixtrans-58.5-43.7176.3-61.40000111.8F131 E292 D293 A294 A300 F331F131-T296 HydrophobicContact CD2-CG2 4.34Å; F131-T296 HydrophobicContact CE1-CG2 4.43Å; F131-T296 HydrophobicContact CE2-CG2 3.98Å; F131-T296 HydrophobicContact CZ-CG2 4.02Å; E292-T296 PolarHBondContact O-N 3.42Å; E292-T296 VanDerWaalsContact O-N 3.1Å; E292-T296 PolarHBondContact O-OG1 3.43Å; E292-T296 VanDerWaalsContact O-OG1 3.11Å; D293-T296 WeakPolarHBondContact O-CB 3.49Å; D293-T296 PolarHBondContact O-N 3.03Å; A294-T296 VanDerWaalsContact C-N 3.34Å; A294-T296 PolarHBondContact O-N 3.1Å; T296-A300 WeakPolarHBondContact O-CB 3.19Å; T296-F331 HydrophobicContact CG2-CE2 4.02Å; T296-F331 HydrophobicContact CG2-CZ 3.76Å
297L98.7Very high97.9Very high1 Ų125.1 Ų25.11%0.00515%0.152CC..Hα-helixtrans-72.8-52.3179.6-64177.2000112.5V122 F131 L166 L216 I289 D293 A294 S295 A300 L301 F325 F331V122-L297 HydrophobicContact CG2-CD2 3.53Å; F131-L297 HydrophobicContact CD1-CD2 4.26Å; F131-L297 HydrophobicContact CE1-CD2 4.37Å; L166-L297 HydrophobicContact CD2-CB 3.8Å; L166-L297 HydrophobicContact CD2-CD1 4.41Å; L216-L297 HydrophobicContact CD1-CD1 3.96Å; I289-L297 HydrophobicContact CD1-CD1 4.11Å; D293-L297 WeakPolarHBondContact O-CG 3.24Å; D293-L297 PolarHBondContact O-N 3.05Å; A294-L297 PolarHBondContact O-N 3.44Å; S295-L297 VanDerWaalsContact C-N 3.32Å; S295-L297 PolarHBondContact O-N 2.96Å; L297-A300 PolarHBondContact O-N 3.34Å; L297-L301 PolarHBondContact O-N 3.41Å; L297-F325 HydrophobicContact CD2-CE1 4.35Å; L297-F325 HydrophobicContact CD2-CZ 4.15Å; L297-F331 HydrophobicContact CD2-CE2 4.25Å
298I98.5Very high97.8Very high0 Ų033.9 Ų33.90%019%0.19CC..Hα-helixtrans-67-41.2-174.2-68.2-176.6000111.2F168 I192 Y218 A294 A300 L301 F314 Y318F168-I298 HydrophobicContact CD2-CD1 3.83Å; F168-I298 HydrophobicContact CE2-CD1 4.04Å; I192-I298 HydrophobicContact CD1-CD1 3.96Å; I192-I298 HydrophobicContact CD1-CG1 4.01Å; I192-I298 HydrophobicContact CG1-CD1 4.25Å; I192-I298 HydrophobicContact CG2-CD1 4.29Å; I192-I298 HydrophobicContact CG2-CG1 4.11Å; Y218-I298 HydrophobicContact CD1-CD1 4.29Å; Y218-I298 HydrophobicContact CE1-CD1 3.47Å; Y218-I298 VanDerWaalsContact CE1-CD1 3.47Å; A294-I298 WeakPolarHBondContact O-CB 3.43Å; A294-I298 WeakPolarHBondContact O-CG1 3.47Å; A294-I298 PolarHBondContact O-N 2.83Å; I298-A300 PolarHBondContact O-N 2.94Å; I298-L301 HydrophobicContact CG1-CD1 4.43Å; I298-L301 WeakPolarHBondContact O-CB 3.48Å; I298-L301 PolarHBondContact O-N 2.95Å; I298-F314 HydrophobicContact CB-CD2 4.36Å; I298-F314 HydrophobicContact CB-CE2 4.34Å; I298-F314 HydrophobicContact CD1-CE2 4.11Å; I298-F314 HydrophobicContact CG2-CD2 4.41Å; I298-Y318 HydrophobicContact CG2-CD1 4.09Å; I298-Y318 HydrophobicContact CG2-CD2 3.96Å; I298-Y318 HydrophobicContact CG2-CE2 4.39Å; I298-Y318 HydrophobicContact CG2-CG 3.77Å
299C97.9Very high97.7Very high33 Ų3339.7 Ų39.722%0.22322%0.22CC..Hα-helixtrans-67.2-20.5178.7-65.70000113.3S295 C316 K326S295-C299 WeakPolarHBondContact O-CB 3.45Å; S295-C299 PolarHBondContact O-N 3.21Å; S295-C299 PolarHBondContact O-SG 3.18Å; C299-C316 WeakPolarHBondContact CA-SG 3.48Å; C299-C316 HydrophobicContact CB-CB 3.63Å; C299-C316 WeakPolarHBondContact CB-SG 3.49Å; C299-C316 WeakPolarHBondContact SG-CB 3.29Å; C299-C316 CovalentContact SG-SG 2.03Å; C299-C316 PolarHBondContact SG-SG 2.97Å; C299-K326 PolarHBondContact O-NZ 2.79Å
300A98Very high97.6Very high9 Ų940 Ų407%0.07422%0.221CC..THydrogen-bonded Turntrans-85.4-10.9174.500000113.7T296 L297 I298 F325 K326 F331T296-A300 WeakPolarHBondContact O-CB 3.19Å; L297-A300 PolarHBondContact O-N 3.34Å; I298-A300 PolarHBondContact O-N 2.94Å; A300-F325 HydrophobicContact CB-CD1 3.8Å; A300-F325 HydrophobicContact CB-CE1 4.39Å; A300-F325 CarbonylContact O-C 3.6Å; A300-F325 WeakPolarHBondContact O-CA 3.33Å; A300-K326 WeakPolarHBondContact O-CG 3.25Å; A300-K326 PolarHBondContact O-N 3.36Å; A300-F331 HydrophobicContact CB-CD2 3.67Å; A300-F331 HydrophobicContact CB-CE2 3.98Å
301L97.6Very high97.6Very high0 Ų042.3 Ų42.30%023%0.232CC..BIsolated β-bridgetrans-65.7132.5-176.2-75.1176.7000113.5L166 F168 L297 I298 N319 F325 K326L166-L301 HydrophobicContact CB-CD2 3.93Å; L166-L301 HydrophobicContact CD2-CD2 3.96Å; L166-L301 HydrophobicContact CD2-CG 4.44Å; L166-L301 HydrophobicContact CG-CD2 4.04Å; L166-L301 WeakPolarHBondContact O-CD2 3.43Å; F168-L301 HydrophobicContact CB-CD1 3.71Å; L297-L301 PolarHBondContact O-N 3.41Å; I298-L301 HydrophobicContact CG1-CD1 4.43Å; I298-L301 WeakPolarHBondContact O-CB 3.48Å; I298-L301 PolarHBondContact O-N 2.95Å; L301-N319 HydrophobicContact CB-CB 4.33Å; L301-N319 WeakPolarHBondContact O-CB 3.41Å; L301-N319 PolarHBondContact O-ND2 2.91Å; L301-F325 HydrophobicContact CD2-CD1 4.09Å; L301-F325 HydrophobicContact CD2-CE1 4.13Å; L301-K326 WeakPolarHBondContact O-CE 3.47Å
302A96.1Very high97.5Very high13 Ų1343 Ų4311%0.10724%0.24CC..  trans-81.9-170.4172.100000112N319 G321 G324 K326A302-N319 WeakPolarHBondContact O-CB 3.31Å; A302-G321 VanDerWaalsContact O-CA 3.22Å; A302-G321 WeakPolarHBondContact O-CA 3.38Å; A302-G321 PolarHBondContact O-N 3.31Å; A302-G324 WeakPolarHBondContact CB-O 3.37Å; A302-G324 PolarHBondContact N-O 3.25Å; A302-K326 HydrophobicContact CB-CG 4.07Å
303G94.6Very high97.4Very high31 Ų3140.7 Ų40.732%0.3223%0.233SC..SBendtrans85.9-175177.500000113.5G322G303-G322 WeakPolarHBondContact CA-O 3.4Å
304E95.6Very high97.4Very high145 Ų14540.9 Ų40.968%0.67823%0.234SC*.SBendtrans-63.4147.6179.9-65.9-60.1139.300111.4A306 N319 L320E304-A306 PolarHBondContact O-N 3.41Å; E304-N319 WeakPolarHBondContact O-CA 3.33Å; E304-L320 PolarHBondContact O-N 2.99Å
305P97.4Very high97.2Very high77 Ų7750.3 Ų50.350%0.528%0.275SS..BIsolated β-bridgetrans-54.6135.6169.7-25.135000111.4V317 N319P305-V317 HydrophobicContact CB-CG1 3.97Å; P305-V317 HydrophobicContact CG-CG1 4.41Å; P305-N319 WeakPolarHBondContact CA-OD1 3.45Å
306A97.6Very high97.1Very high8 Ų850.7 Ų50.77%0.06628%0.277CS..PPolyproline II helixtrans-64.4153.6172.200000110.6F168 E304 W310 Q311 Y318 L320F168-A306 HydrophobicContact CD1-CB 4.14Å; F168-A306 HydrophobicContact CE1-CB 4.23Å; E304-A306 PolarHBondContact O-N 3.41Å; A306-W310 HydrophobicContact CB-CB 3.89Å; A306-W310 HydrophobicContact CB-CE3 4.23Å; A306-Q311 PolarHBondContact O-NE2 2.71Å; A306-Y318 WeakPolarHBondContact CB-O 3.4Å; A306-Y318 PolarHBondContact N-O 2.86Å; A306-L320 HydrophobicContact CB-CD2 3.64Å; A306-L320 HydrophobicContact CB-CG 4.36Å
307P97.6Very high97.1Very high35 Ų3551.9 Ų51.923%0.22728%0.284CS..PPolyproline II helixtrans-46.4153.3173.3-29.836000113.3D309 W310 Q311P307-D309 VanDerWaalsContact C-N 3.26Å; P307-D309 WeakPolarHBondContact CB-OD1 3.22Å; P307-D309 PolarHBondContact O-N 2.96Å; P307-W310 HydrophobicContact CB-CB 4.31Å; P307-W310 HydrophobicContact CB-CD2 4.45Å; P307-W310 HydrophobicContact CB-CG 3.97Å; P307-W310 HydrophobicContact CG-CD2 4.06Å; P307-W310 HydrophobicContact CG-CG 4.1Å; P307-W310 CarbonylContact O-C 3.56Å; P307-W310 WeakPolarHBondContact O-CA 3.35Å; P307-W310 VanDerWaalsContact O-CB 3.31Å; P307-W310 WeakPolarHBondContact O-CB 3.48Å; P307-W310 PolarHBondContact O-N 3.07Å; P307-Q311 PolarHBondContact O-N 2.62Å
308K97.1Very high97Very high196 Ų19651.8 Ų51.885%0.85228%0.284SS*.G310 helixtrans-59.2-39-174.3-174.2-176176.8-174.20112.4W310 Q311K308-W310 PolarHBondContact O-N 3.46Å; K308-Q311 WeakPolarHBondContact O-CB 2.97Å; K308-Q311 PolarHBondContact O-N 3.22Å
309D95.8Very high97Very high123 Ų12352.6 Ų52.666%0.65829%0.288SS*.G310 helixtrans-72.3-11.2176.159.3-40.4000113.4P307P307-D309 VanDerWaalsContact C-N 3.26Å; P307-D309 WeakPolarHBondContact CB-OD1 3.22Å; P307-D309 PolarHBondContact O-N 2.96Å
310W97.8Very high97Very high11 Ų1151.5 Ų51.54%0.04228%0.28CS..G310 helixtrans-97.52.6173.1-67.125.7000112.9F168 N170 D176 H179 L180 R194 A306 P307 K308 L320F168-W310 HydrophobicContact CD1-CE3 4.4Å; F168-W310 HydrophobicContact CE1-CB 4.13Å; F168-W310 HydrophobicContact CE1-CE3 4.26Å; F168-W310 VanDerWaalsContact CE1-O 3.25Å; F168-W310 WeakPolarHBondContact CE1-O 3.25Å; N170-W310 HydrophobicContact CB-CB 4.38Å; N170-W310 HydrophobicContact CB-CD2 3.38Å; N170-W310 HydrophobicContact CB-CE3 3.57Å; N170-W310 HydrophobicContact CB-CG 3.76Å; N170-W310 HydrophobicContact CB-CH2 4.17Å; N170-W310 HydrophobicContact CB-CZ2 4.03Å; N170-W310 HydrophobicContact CB-CZ3 3.95Å; N170-W310 PolarHBondContact ND2-NE1 3.39Å; D176-W310 HydrophobicContact CB-CH2 3.75Å; D176-W310 HydrophobicContact CB-CZ2 3.73Å; D176-W310 WeakPolarHBondContact O-CH2 3.35Å; D176-W310 VanDerWaalsContact OD1-CZ2 3.23Å; D176-W310 WeakPolarHBondContact OD1-CZ2 3.45Å; H179-W310 HydrophobicContact CB-CH2 4.2Å; H179-W310 HydrophobicContact CB-CZ2 4.22Å; L180-W310 HydrophobicContact CD2-CZ3 4.16Å; L180-W310 HydrophobicContact CG-CH2 4.25Å; L180-W310 HydrophobicContact CG-CZ3 4.26Å; R194-W310 PolarHBondContact NH2-O 2.92Å; A306-W310 HydrophobicContact CB-CB 3.89Å; A306-W310 HydrophobicContact CB-CE3 4.23Å; P307-W310 HydrophobicContact CB-CB 4.31Å; P307-W310 HydrophobicContact CB-CD2 4.45Å; P307-W310 HydrophobicContact CB-CG 3.97Å; P307-W310 HydrophobicContact CG-CD2 4.06Å; P307-W310 HydrophobicContact CG-CG 4.1Å; P307-W310 CarbonylContact O-C 3.56Å; P307-W310 WeakPolarHBondContact O-CA 3.35Å; P307-W310 VanDerWaalsContact O-CB 3.31Å; P307-W310 WeakPolarHBondContact O-CB 3.48Å; P307-W310 PolarHBondContact O-N 3.07Å; K308-W310 PolarHBondContact O-N 3.46Å; W310-L320 HydrophobicContact CE3-CD2 3.88Å; W310-L320 HydrophobicContact CZ3-CD2 3.8Å
311Q98.1Very high96.6Very high50 Ų5051.1 Ų51.123%0.23428%0.277CS..  trans-75.4167.8171.2-60.3-62-46.500110.2R194 A306 P307 K308 Y318R194-Q311 PolarHBondContact NH1-O 2.85Å; R194-Q311 PolarHBondContact NH2-O 3.09Å; A306-Q311 PolarHBondContact O-NE2 2.71Å; P307-Q311 PolarHBondContact O-N 2.62Å; K308-Q311 WeakPolarHBondContact O-CB 2.97Å; K308-Q311 PolarHBondContact O-N 3.22Å; Q311-Y318 PolarHBondContact NE2-O 3.17Å
312G97.1Very high95.9Very high18 Ų1852.4 Ų52.419%0.18629%0.29CS..  trans-148.7-159.7-17800000112.5F314 Y318G312-F314 PolarHBondContact O-N 3.08Å; G312-Y318 VanDerWaalsContact CA-CZ 3.45Å; G312-Y318 VanDerWaalsContact CA-OH 3.24Å; G312-Y318 WeakPolarHBondContact CA-OH 3.37Å
313G96.3Very high95.3Very high16 Ų1656 Ų5617%0.16531%0.312CS..SBendtrans-77.9-11-172.600000115.3D220 Y318D220-G313 PolarHBondContact OD1-N 3.04Å; G313-Y318 PolarHBondContact N-OH 3.27Å; G313-Y318 VanDerWaalsContact N-OH 3.08Å
314F97.8Very high95.3Very high11 Ų1154.6 Ų54.65%0.04830%0.298CS..SBendtrans-72150.6-176.2-48.6-34.9000112.8Y218 P221 M229 F291 A294 S295 I298 G312 C316 Y318Y218-F314 HydrophobicContact CD2-CE2 4.41Å; Y218-F314 AromaticContact CD2-CZ 3.82Å; Y218-F314 HydrophobicContact CD2-CZ 3.82Å; Y218-F314 HydrophobicContact CE2-CE1 4.35Å; Y218-F314 AromaticContact CE2-CE2 3.69Å; Y218-F314 HydrophobicContact CE2-CE2 3.69Å; Y218-F314 AromaticContact CE2-CZ 3.36Å; Y218-F314 HydrophobicContact CE2-CZ 3.36Å; P221-F314 HydrophobicContact CG-CD1 4.12Å; P221-F314 HydrophobicContact CG-CE1 3.76Å; M229-F314 HydrophobicContact CE-CD1 3.46Å; M229-F314 VanDerWaalsContact CE-CD1 3.46Å; M229-F314 HydrophobicContact CE-CE1 4Å; M229-F314 HydrophobicContact CE-CG 4.44Å; M229-F314 HydrophobicContact SD-CD1 4.07Å; F291-F314 HydrophobicContact CB-CE1 4.03Å; F291-F314 HydrophobicContact CB-CZ 4.17Å; F291-F314 HydrophobicContact CD2-CE1 4.32Å; F291-F314 WeakPolarHBondContact O-CZ 3.13Å; A294-F314 HydrophobicContact CB-CE2 4.25Å; A294-F314 HydrophobicContact CB-CZ 4.01Å; S295-F314 VanDerWaalsContact CA-CE2 3.5Å; I298-F314 HydrophobicContact CB-CD2 4.36Å; I298-F314 HydrophobicContact CB-CE2 4.34Å; I298-F314 HydrophobicContact CD1-CE2 4.11Å; I298-F314 HydrophobicContact CG2-CD2 4.41Å; G312-F314 PolarHBondContact O-N 3.08Å; F314-C316 PolarHBondContact O-N 3.18Å; F314-Y318 HydrophobicContact CB-CE1 3.56Å; F314-Y318 AromaticContact CD2-CE1 3.71Å; F314-Y318 HydrophobicContact CD2-CE1 3.71Å; F314-Y318 HydrophobicContact CD2-CE2 4.2Å; F314-Y318 AromaticContact CD2-CZ 3.4Å; F314-Y318 WeakPolarHBondContact CD2-OH 3.45Å; F314-Y318 AromaticContact CG-CE1 3.9Å; F314-Y318 HydrophobicContact CG-CE1 3.9Å; F314-Y318 AromaticContact CG-CZ 3.73Å; F314-Y318 WeakPolarHBondContact CG-OH 3.46Å; F314-Y318 PolarHBondContact N-OH 3.25Å
315K94.9Very high95.4Very high198 Ų19848 Ų4886%0.86127%0.267SS*.SBendtrans-79.945.6-178.8-60.2-177.8-177.5175.10112.4
316C96.5Very high95.3Very high35 Ų3547.8 Ų47.824%0.23626%0.258CS..SBendtrans-154.9164.9178.7670000110.6C299 F314C299-C316 WeakPolarHBondContact CA-SG 3.48Å; C299-C316 HydrophobicContact CB-CB 3.63Å; C299-C316 WeakPolarHBondContact CB-SG 3.49Å; C299-C316 WeakPolarHBondContact SG-CB 3.29Å; C299-C316 CovalentContact SG-SG 2.03Å; C299-C316 PolarHBondContact SG-SG 2.97Å; F314-C316 PolarHBondContact O-N 3.18Å
317V97.6Very high95.1Very high79 Ų7951.3 Ų51.348%0.47929%0.287SS..  trans-79.2127.5169.4179.40000108.7P305 N319P305-V317 HydrophobicContact CB-CG1 3.97Å; P305-V317 HydrophobicContact CG-CG1 4.41Å; V317-N319 PolarHBondContact O-N 3.13Å
318Y98.3Very high94.9Very high0 Ų054.7 Ų54.70%032%0.318CS..  trans-78.2121.6175.6-65.927.4000106.7F168 D220 I298 A306 Q311 G312 G313 F314F168-Y318 AromaticContact CE1-CD2 3.88Å; F168-Y318 HydrophobicContact CE1-CD2 3.88Å; F168-Y318 HydrophobicContact CE2-CD2 4.47Å; F168-Y318 AromaticContact CZ-CD2 3.84Å; F168-Y318 HydrophobicContact CZ-CD2 3.84Å; F168-Y318 HydrophobicContact CZ-CE2 4.42Å; D220-Y318 WeakPolarHBondContact OD2-CE2 3.28Å; D220-Y318 PolarHBondContact OD2-OH 3.38Å; I298-Y318 HydrophobicContact CG2-CD1 4.09Å; I298-Y318 HydrophobicContact CG2-CD2 3.96Å; I298-Y318 HydrophobicContact CG2-CE2 4.39Å; I298-Y318 HydrophobicContact CG2-CG 3.77Å; A306-Y318 WeakPolarHBondContact CB-O 3.4Å; A306-Y318 PolarHBondContact N-O 2.86Å; Q311-Y318 PolarHBondContact NE2-O 3.17Å; G312-Y318 VanDerWaalsContact CA-CZ 3.45Å; G312-Y318 VanDerWaalsContact CA-OH 3.24Å; G312-Y318 WeakPolarHBondContact CA-OH 3.37Å; G313-Y318 PolarHBondContact N-OH 3.27Å; G313-Y318 VanDerWaalsContact N-OH 3.08Å; F314-Y318 HydrophobicContact CB-CE1 3.56Å; F314-Y318 AromaticContact CD2-CE1 3.71Å; F314-Y318 HydrophobicContact CD2-CE1 3.71Å; F314-Y318 HydrophobicContact CD2-CE2 4.2Å; F314-Y318 AromaticContact CD2-CZ 3.4Å; F314-Y318 WeakPolarHBondContact CD2-OH 3.45Å; F314-Y318 AromaticContact CG-CE1 3.9Å; F314-Y318 HydrophobicContact CG-CE1 3.9Å; F314-Y318 AromaticContact CG-CZ 3.73Å; F314-Y318 WeakPolarHBondContact CG-OH 3.46Å; F314-Y318 PolarHBondContact N-OH 3.25Å
319N97.7Very high94.8Very high17 Ų1746.3 Ų46.39%0.09128%0.284CS..BIsolated β-bridgetrans-108.3158.6176-63.2-33.6000110.3L301 A302 E304 P305 V317 G321 K326L301-N319 HydrophobicContact CB-CB 4.33Å; L301-N319 WeakPolarHBondContact O-CB 3.41Å; L301-N319 PolarHBondContact O-ND2 2.91Å; A302-N319 WeakPolarHBondContact O-CB 3.31Å; E304-N319 WeakPolarHBondContact O-CA 3.33Å; P305-N319 WeakPolarHBondContact CA-OD1 3.45Å; V317-N319 PolarHBondContact O-N 3.13Å; N319-G321 VanDerWaalsContact C-N 3.34Å; N319-G321 PolarHBondContact O-N 2.86Å; N319-K326 WeakPolarHBondContact ND2-CE 3.18Å
320L96.8Very high94.6Very high9 Ų945.8 Ų45.85%0.04729%0.288CS..  trans-72.9-22.3-174.9-61.4177.9000114.1V167 F168 L180 I184 E304 A306 W310V167-L320 WeakPolarHBondContact CA-O 3.28Å; F168-L320 PolarHBondContact N-O 2.74Å; L180-L320 HydrophobicContact CD2-CB 4.06Å; L180-L320 HydrophobicContact CD2-CD1 4.32Å; L180-L320 HydrophobicContact CD2-CD2 3.77Å; L180-L320 HydrophobicContact CD2-CG 4.26Å; I184-L320 HydrophobicContact CD1-CB 3.82Å; E304-L320 PolarHBondContact O-N 2.99Å; A306-L320 HydrophobicContact CB-CD2 3.64Å; A306-L320 HydrophobicContact CB-CG 4.36Å; W310-L320 HydrophobicContact CE3-CD2 3.88Å; W310-L320 HydrophobicContact CZ3-CD2 3.8Å
321G89.8Confident94.6Very high2 Ų245.9 Ų45.92%0.02129%0.288CS..  trans90.113.317600000116A302 N319 P323 G324A302-G321 VanDerWaalsContact O-CA 3.22Å; A302-G321 WeakPolarHBondContact O-CA 3.38Å; A302-G321 PolarHBondContact O-N 3.31Å; N319-G321 VanDerWaalsContact C-N 3.34Å; N319-G321 PolarHBondContact O-N 2.86Å; G321-P323 CarbonylContact O-C 3.54Å; G321-G324 WeakPolarHBondContact O-CA 3.37Å; G321-G324 PolarHBondContact O-N 3.06Å
322G83.9Confident94.2Very high27 Ų2746.8 Ų46.828%0.27830%0.295SS..THydrogen-bonded Turntrans-90.1103.7165.900000109.6G303G303-G322 WeakPolarHBondContact CA-O 3.4Å
323P83.6Confident94Very high87 Ų8751.6 Ų51.657%0.56532%0.316SS*.THydrogen-bonded Turncis-114.224.932.342.8-40000117.7K165 G321K165-P323 VanDerWaalsContact CD-O 3.27Å; K165-P323 WeakPolarHBondContact CD-O 3.43Å; K165-P323 WeakPolarHBondContact CE-O 3.21Å; K165-P323 PolarHBondContact NZ-O 3.15Å; G321-P323 CarbonylContact O-C 3.54Å
324G94Very high94Very high2 Ų251.2 Ų51.22%0.02131%0.311CS..SBendtrans130.7-133-177.200000110.1A302 G321A302-G324 WeakPolarHBondContact CB-O 3.37Å; A302-G324 PolarHBondContact N-O 3.25Å; G321-G324 WeakPolarHBondContact O-CA 3.37Å; G321-G324 PolarHBondContact O-N 3.06Å
325F97.8Very high94.1Very high8 Ų853.3 Ų53.34%0.03532%0.321CS..BIsolated β-bridgetrans-83.7160.2173.3-56.5-69.7000112.7V122 L166 L297 A300 L301 F331 N332 V336V122-F325 HydrophobicContact CG1-CE2 3.92Å; V122-F325 HydrophobicContact CG1-CZ 4.49Å; V122-F325 HydrophobicContact CG2-CZ 4.34Å; L166-F325 HydrophobicContact CB-CE1 4.33Å; L166-F325 HydrophobicContact CB-CZ 4.06Å; L166-F325 HydrophobicContact CD2-CE1 3.89Å; L166-F325 HydrophobicContact CD2-CZ 4.05Å; L297-F325 HydrophobicContact CD2-CE1 4.35Å; L297-F325 HydrophobicContact CD2-CZ 4.15Å; A300-F325 HydrophobicContact CB-CD1 3.8Å; A300-F325 HydrophobicContact CB-CE1 4.39Å; A300-F325 CarbonylContact O-C 3.6Å; A300-F325 WeakPolarHBondContact O-CA 3.33Å; L301-F325 HydrophobicContact CD2-CD1 4.09Å; L301-F325 HydrophobicContact CD2-CE1 4.13Å; F325-F331 HydrophobicContact CB-CB 3.85Å; F325-F331 HydrophobicContact CD1-CB 4.25Å; F325-F331 AromaticContact CD1-CD2 3.87Å; F325-F331 HydrophobicContact CD1-CD2 3.87Å; F325-F331 HydrophobicContact CD2-CB 3.4Å; F325-F331 VanDerWaalsContact CD2-CB 3.4Å; F325-F331 HydrophobicContact CD2-CD2 4.32Å; F325-F331 HydrophobicContact CD2-CG 4.25Å; F325-F331 AromaticContact CE1-CD2 3.88Å; F325-F331 HydrophobicContact CE1-CD2 3.88Å; F325-F331 HydrophobicContact CE2-CB 3.94Å; F325-F331 HydrophobicContact CE2-CD2 4.32Å; F325-F331 HydrophobicContact CE2-CG 4.38Å; F325-F331 HydrophobicContact CG-CB 3.58Å; F325-F331 HydrophobicContact CG-CD2 4.09Å; F325-F331 HydrophobicContact CG-CG 4.32Å; F325-F331 HydrophobicContact CZ-CD2 4.1Å; F325-N332 WeakPolarHBondContact CB-O 3.36Å; F325-V336 HydrophobicContact CE2-CG2 4.2Å; F325-V336 HydrophobicContact CZ-CG2 3.79Å
326K95.9Very high94.2Very high72 Ų7244 Ų4431%0.31328%0.28SS..  trans-65.1139.9175.9-63.9167.1-166.2168.20109.3C299 A300 L301 A302 N319 A328 S329C299-K326 PolarHBondContact O-NZ 2.79Å; A300-K326 WeakPolarHBondContact O-CG 3.25Å; A300-K326 PolarHBondContact O-N 3.36Å; L301-K326 WeakPolarHBondContact O-CE 3.47Å; A302-K326 HydrophobicContact CB-CG 4.07Å; N319-K326 WeakPolarHBondContact ND2-CE 3.18Å; K326-A328 PolarHBondContact O-N 2.95Å; K326-A328 VanDerWaalsContact O-N 3.16Å; K326-S329 VanDerWaalsContact O-CB 3.28Å; K326-S329 WeakPolarHBondContact O-CB 3.25Å; K326-S329 PolarHBondContact O-N 3.46Å; K326-S329 PolarHBondContact O-OG 3.03Å
327A93.4Very high94.4Very high82 Ų8244.9 Ų44.968%0.67828%0.28SS*.THydrogen-bonded Turntrans-59.4-30.6176.900000113.6S329 N332A327-S329 VanDerWaalsContact C-N 3.33Å; A327-N332 VanDerWaalsContact CA-OD1 3.27Å; A327-N332 WeakPolarHBondContact CA-OD1 3.49Å
328A92.9Very high94.4Very high106 Ų10641.1 Ų41.188%0.87626%0.257SS*.THydrogen-bonded Turntrans-83-5176.100000114.1K326K326-A328 PolarHBondContact O-N 2.95Å; K326-A328 VanDerWaalsContact O-N 3.16Å
329S94.1Very high94.4Very high19 Ų1942.8 Ų42.813%0.13327%0.267CS..SBendtrans-80.2162.3176.875.50000111.2K326 A327 F331 N332K326-S329 VanDerWaalsContact O-CB 3.28Å; K326-S329 WeakPolarHBondContact O-CB 3.25Å; K326-S329 PolarHBondContact O-N 3.46Å; K326-S329 PolarHBondContact O-OG 3.03Å; A327-S329 VanDerWaalsContact C-N 3.33Å; S329-F331 PolarHBondContact O-N 3.01Å; S329-F331 PolarHBondContact OG-N 3.19Å; S329-N332 PolarHBondContact O-N 2.67Å; S329-N332 PolarHBondContact OG-N 3.49Å
330P93.3Very high94.5Very high113 Ų11342 Ų4273%0.73426%0.262SS*.THydrogen-bonded Turntrans-59.3-14.7172.8-23.434.8000114.4
331F96.1Very high94.5Very high12 Ų1244.1 Ų44.15%0.05327%0.272CS..THydrogen-bonded Turntrans-100.3-24.7-175.3-52-36.4000113.2V122 L130 F131 T296 L297 A300 F325 S329 D333 S334V122-F331 HydrophobicContact CB-CD1 4.29Å; V122-F331 HydrophobicContact CB-CE1 4.48Å; V122-F331 HydrophobicContact CG1-CB 4.03Å; V122-F331 HydrophobicContact CG1-CD1 3.78Å; V122-F331 HydrophobicContact CG1-CE1 4.45Å; V122-F331 HydrophobicContact CG1-CG 3.88Å; V122-F331 HydrophobicContact CG2-CE1 4.48Å; L130-F331 HydrophobicContact CB-CD1 4.44Å; F131-F331 HydrophobicContact CB-CE1 3.61Å; F131-F331 HydrophobicContact CB-CZ 3.91Å; F131-F331 HydrophobicContact CD1-CZ 4.47Å; F131-F331 HydrophobicContact CG-CE1 4.27Å; F131-F331 HydrophobicContact CG-CZ 4.07Å; T296-F331 HydrophobicContact CG2-CE2 4.02Å; T296-F331 HydrophobicContact CG2-CZ 3.76Å; L297-F331 HydrophobicContact CD2-CE2 4.25Å; A300-F331 HydrophobicContact CB-CD2 3.67Å; A300-F331 HydrophobicContact CB-CE2 3.98Å; F325-F331 HydrophobicContact CB-CB 3.85Å; F325-F331 HydrophobicContact CD1-CB 4.25Å; F325-F331 AromaticContact CD1-CD2 3.87Å; F325-F331 HydrophobicContact CD1-CD2 3.87Å; F325-F331 HydrophobicContact CD2-CB 3.4Å; F325-F331 VanDerWaalsContact CD2-CB 3.4Å; F325-F331 HydrophobicContact CD2-CD2 4.32Å; F325-F331 HydrophobicContact CD2-CG 4.25Å; F325-F331 AromaticContact CE1-CD2 3.88Å; F325-F331 HydrophobicContact CE1-CD2 3.88Å; F325-F331 HydrophobicContact CE2-CB 3.94Å; F325-F331 HydrophobicContact CE2-CD2 4.32Å; F325-F331 HydrophobicContact CE2-CG 4.38Å; F325-F331 HydrophobicContact CG-CB 3.58Å; F325-F331 HydrophobicContact CG-CD2 4.09Å; F325-F331 HydrophobicContact CG-CG 4.32Å; F325-F331 HydrophobicContact CZ-CD2 4.1Å; S329-F331 PolarHBondContact O-N 3.01Å; S329-F331 PolarHBondContact OG-N 3.19Å; F331-D333 PolarHBondContact O-N 3.05Å; F331-S334 WeakPolarHBondContact O-CB 3.41Å; F331-S334 PolarHBondContact O-N 3.06Å; F331-S334 PolarHBondContact O-OG 2.94Å
332N91.5Very high94.9Very high69 Ų6944.4 Ų44.437%0.36927%0.273SS..THydrogen-bonded Turntrans40.4-122.6178-172.631.1000113.7F325 A327 S329 S334F325-N332 WeakPolarHBondContact CB-O 3.36Å; A327-N332 VanDerWaalsContact CA-OD1 3.27Å; A327-N332 WeakPolarHBondContact CA-OD1 3.49Å; S329-N332 PolarHBondContact O-N 2.67Å; S329-N332 PolarHBondContact OG-N 3.49Å; N332-S334 PolarHBondContact O-N 2.71Å; N332-S334 VanDerWaalsContact O-N 3.15Å
333D91.3Very high95.5Very high119 Ų11947.1 Ų47.164%0.63628%0.281SS*.THydrogen-bonded Turntrans-81.221.5-179.4-62.8-53.5000114.1F331F331-D333 PolarHBondContact O-N 3.05Å
334S97.8Very high96.1Very high8 Ų844.7 Ų44.76%0.05627%0.272CS..  trans-78.6162.8-177-60.70000113.3V123 L130 F331 N332V123-S334 VanDerWaalsContact O-CA 3.32Å; V123-S334 WeakPolarHBondContact O-CA 3.26Å; V123-S334 WeakPolarHBondContact O-CB 3.33Å; L130-S334 WeakPolarHBondContact CD1-OG 3.2Å; F331-S334 WeakPolarHBondContact O-CB 3.41Å; F331-S334 PolarHBondContact O-N 3.06Å; F331-S334 PolarHBondContact O-OG 2.94Å; N332-S334 PolarHBondContact O-N 2.71Å; N332-S334 VanDerWaalsContact O-N 3.15Å
335E98.3Very high96.3Very high56 Ų5646 Ų4626%0.26228%0.283SS..EExtended strand (participates in β ladder)trans-117.8156.9179.3-63.1-173.4123.100110.7V122 V123 K163 K165V122-E335 CarbonylContact C-O 3.52Å; V122-E335 WeakPolarHBondContact CA-O 3.48Å; V123-E335 HydrophobicContact CG2-CB 4.47Å; V123-E335 PolarHBondContact N-O 3.37Å; V123-E335 PolarHBondContact O-N 3.06Å; K163-E335 HydrophobicContact CD-CB 4.37Å; K163-E335 WeakPolarHBondContact CD-OE2 3.09Å; K163-E335 WeakPolarHBondContact CE-OE2 3.2Å; K163-E335 HydrophobicContact CG-CB 3.89Å; K163-E335 IonicContact NZ-OE2 3.08Å; K165-E335 HydrophobicContact CG-CG 4.5Å
336V98.7Very high96.3Very high1 Ų149.4 Ų49.41%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-91.6131.2169.7175.50000108.1V120 T121 V122 K163 G164 L166 I190 L216 F325 L338V120-V336 HydrophobicContact CG1-CG1 3.92Å; T121-V336 CarbonylContact O-C 3.48Å; T121-V336 WeakPolarHBondContact O-CA 3.37Å; V122-V336 HydrophobicContact CG2-CG2 4.3Å; K163-V336 WeakPolarHBondContact CA-O 3.5Å; G164-V336 PolarHBondContact N-O 2.98Å; G164-V336 PolarHBondContact O-N 2.91Å; L166-V336 HydrophobicContact CB-CG2 3.91Å; L166-V336 HydrophobicContact CD1-CG2 4.13Å; L166-V336 HydrophobicContact CD2-CG2 4.27Å; L166-V336 HydrophobicContact CG-CG2 4.34Å; I190-V336 HydrophobicContact CB-CB 4.44Å; I190-V336 HydrophobicContact CG1-CB 4.33Å; I190-V336 HydrophobicContact CG2-CB 4.49Å; I190-V336 HydrophobicContact CG2-CG1 4.18Å; L216-V336 HydrophobicContact CD1-CG1 4.16Å; F325-V336 HydrophobicContact CE2-CG2 4.2Å; F325-V336 HydrophobicContact CZ-CG2 3.79Å; V336-L338 HydrophobicContact CG1-CD1 3.77Å
337K98.8Very high96.4Very high54 Ų5447.8 Ų47.824%0.23530%0.296CS..EExtended strand (participates in β ladder)trans-114.7125.1174.7-177.1180-179.4178.30110.1V120 T121 V123 E161 A162 K163V120-K337 WeakPolarHBondContact CA-O 3.27Å; T121-K337 PolarHBondContact N-O 3.27Å; T121-K337 PolarHBondContact O-N 2.95Å; V123-K337 HydrophobicContact CG1-CB 4.42Å; V123-K337 HydrophobicContact CG2-CB 4.19Å; E161-K337 WeakPolarHBondContact OE2-CE 3.2Å; E161-K337 IonicContact OE2-NZ 3.76Å; E161-K337 PolarHBondContact OE2-NZ 2.98Å; A162-K337 CarbonylContact O-C 3.53Å; A162-K337 VanDerWaalsContact O-CA 3.28Å; A162-K337 WeakPolarHBondContact O-CA 3.19Å; K163-K337 HydrophobicContact CB-CB 4.42Å; K163-K337 HydrophobicContact CB-CG 4.4Å; K163-K337 HydrophobicContact CG-CB 4.3Å
338L98.8Very high96.6Very high0 Ų047.8 Ų47.80%029%0.285CS..EExtended strand (participates in β ladder)trans-100.2134.3168.5-78.464.5000108.4V120 E161 A162 I190 L216 P285 V336 I340V120-L338 HydrophobicContact CG1-CD1 4.31Å; V120-L338 HydrophobicContact CG2-CG 4.22Å; E161-L338 VanDerWaalsContact CA-O 3.31Å; E161-L338 WeakPolarHBondContact CA-O 3.48Å; A162-L338 HydrophobicContact CB-CB 4.43Å; A162-L338 PolarHBondContact N-O 2.72Å; A162-L338 PolarHBondContact O-N 3.05Å; I190-L338 HydrophobicContact CD1-CD1 4.08Å; I190-L338 HydrophobicContact CG1-CD1 4.3Å; I190-L338 HydrophobicContact CG2-CD1 3.87Å; L216-L338 HydrophobicContact CD2-CD1 4.07Å; L216-L338 HydrophobicContact CD2-CD2 4.19Å; L216-L338 HydrophobicContact CD2-CG 4.19Å; L216-L338 HydrophobicContact CG-CD1 4.47Å; P285-L338 HydrophobicContact CB-CD2 4.35Å; P285-L338 WeakPolarHBondContact O-CD2 3.46Å; V336-L338 HydrophobicContact CG1-CD1 3.77Å; L338-I340 HydrophobicContact CB-CD1 4.39Å; L338-I340 HydrophobicContact CB-CG1 4.22Å
339D98.4Very high96.9Very high36 Ų3642.8 Ų42.819%0.19324%0.244CC..EExtended strand (participates in β ladder)trans-128.895.2171.7-176.820.5000107.4N118 K119 H341N118-D339 CarbonylContact C-O 3.55Å; N118-D339 WeakPolarHBondContact CA-O 3.47Å; K119-D339 HydrophobicContact CB-CB 4.34Å; K119-D339 PolarHBondContact N-O 3.04Å; K119-D339 PolarHBondContact O-N 3.23Å; D339-H341 IonicContact OD1-CD2 3.8Å; D339-H341 IonicContact OD1-CE1 2.74Å; D339-H341 PolarHBondContact OD1-CE1 2.78Å; D339-H341 IonicContact OD1-NE2 2.99Å; D339-H341 PolarHBondContact OD1-NE2 3.16Å; D339-H341 IonicContact OD2-CE1 3.28Å; D339-H341 IonicContact OD2-NE2 2.81Å; D339-H341 PolarHBondContact OD2-NE2 3.38Å; D339-H341 VanDerWaalsContact OD2-NE2 3.13Å
340I98.6Very high97.1Very high0 Ų042 Ų420%024%0.238CC..EExtended strand (participates in β ladder)trans-108.4129.7-170.3-53.8-54.5000109.8N118 A159 G160 P285 Q287 L338 N342N118-I340 HydrophobicContact CB-CD1 3.98Å; A159-I340 CarbonylContact C-O 3.25Å; A159-I340 WeakPolarHBondContact CA-O 3.4Å; A159-I340 WeakPolarHBondContact CB-O 3.4Å; G160-I340 PolarHBondContact N-O 3.4Å; G160-I340 PolarHBondContact O-N 3.5Å; P285-I340 HydrophobicContact CB-CB 4.21Å; P285-I340 HydrophobicContact CB-CG1 3.72Å; Q287-I340 HydrophobicContact CB-CD1 3.85Å; Q287-I340 HydrophobicContact CG-CD1 4.33Å; L338-I340 HydrophobicContact CB-CD1 4.39Å; L338-I340 HydrophobicContact CB-CG1 4.22Å; I340-N342 HydrophobicContact CG2-CB 4.35Å
341H98.4Very high97.3Very high54 Ų5436.6 Ų36.625%0.2520%0.203CC..  trans-126.135.7-174.3-60.9-70.7000111.7D113 N116 N118 D339D113-H341 HydrophobicContact CB-CB 3.95Å; D113-H341 WeakPolarHBondContact CB-O 3.15Å; D113-H341 PolarHBondContact N-O 2.76Å; D113-H341 VanDerWaalsContact N-O 3.08Å; N116-H341 HydrophobicContact CB-CB 4.21Å; N116-H341 WeakPolarHBondContact O-CB 3.36Å; N116-H341 PolarHBondContact O-CD2 3.1Å; N116-H341 VanDerWaalsContact O-CD2 3.29Å; N118-H341 PolarHBondContact OD1-N 2.94Å; D339-H341 IonicContact OD1-CD2 3.8Å; D339-H341 IonicContact OD1-CE1 2.74Å; D339-H341 PolarHBondContact OD1-CE1 2.78Å; D339-H341 IonicContact OD1-NE2 2.99Å; D339-H341 PolarHBondContact OD1-NE2 3.16Å; D339-H341 IonicContact OD2-CE1 3.28Å; D339-H341 IonicContact OD2-NE2 2.81Å; D339-H341 PolarHBondContact OD2-NE2 3.38Å; D339-H341 VanDerWaalsContact OD2-NE2 3.13Å
342N98.1Very high97.5Very high8 Ų836 Ų364%0.04320%0.201CC..EExtended strand (participates in β ladder)trans-72.6139173.6-63.1-13.5000110.3F111 N118 A154 S157 A159 I340F111-N342 CarbonylContact O-C 3.22Å; F111-N342 WeakPolarHBondContact O-CA 3.47Å; N118-N342 PolarHBondContact ND2-OD1 3.31Å; N118-N342 PolarHBondContact OD1-OD1 3.34Å; A154-N342 PolarHBondContact O-ND2 3.03Å; S157-N342 WeakPolarHBondContact O-CB 3.36Å; A159-N342 WeakPolarHBondContact CB-O 3.39Å; I340-N342 HydrophobicContact CG2-CB 4.35Å
343N95.9Very high97.8Very high84 Ų8432.8 Ų32.845%0.44918%0.183SC..EExtended strand (participates in β ladder)trans-127.9146176.964-19.5000112S110 F111S110-N343 CarbonylContact C-O 3.55Å; S110-N343 WeakPolarHBondContact CA-O 3.26Å; F111-N343 PolarHBondContact N-O 3.09Å; F111-N343 PolarHBondContact O-N 3.27Å; F111-N343 PolarHBondContact O-OD1 3.16Å
344G96.1Very high98.2Very high36 Ų3627.1 Ų27.137%0.37115%0.153SC..EExtended strand (participates in β ladder)trans-85.2142.5171.600000111.4L109L109-G344 CarbonylContact O-C 3.55Å; L109-G344 VanDerWaalsContact O-CA 3.29Å; L109-G344 WeakPolarHBondContact O-CA 3.48Å
345A97.2Very high98.2Very high30 Ų3028 Ų2825%0.24816%0.158CC..EExtended strand (participates in β ladder)trans-144.6138176.600000111.3Y108 L109 F111 V347Y108-A345 WeakPolarHBondContact CA-O 3.23Å; L109-A345 PolarHBondContact N-O 3.28Å; L109-A345 PolarHBondContact O-N 3.18Å; F111-A345 HydrophobicContact CD2-CB 4.42Å; F111-A345 HydrophobicContact CE2-CB 4.38Å; A345-V347 HydrophobicContact CB-CG1 4.07Å
346I98.1Very high98.3Very high78 Ų7825.3 Ų25.340%0.415%0.146SC..EExtended strand (participates in β ladder)trans-84.9114.7169.6-62.3173.7000108.1K106 V107 Y108 L260K106-I346 HydrophobicContact CD-CG2 4.14Å; K106-I346 HydrophobicContact CG-CG2 3.35Å; V107-I346 CarbonylContact O-C 3.59Å; V107-I346 VanDerWaalsContact O-CA 3.31Å; V107-I346 WeakPolarHBondContact O-CA 3.12Å; Y108-I346 HydrophobicContact CD2-CG1 4.19Å; L260-I346 HydrophobicContact CD1-CD1 3.89Å; L260-I346 HydrophobicContact CD1-CG1 4.04Å
347V97.9Very high98.3Very high38 Ų3832.7 Ų32.723%0.2317%0.173CC..EExtended strand (participates in β ladder)trans-134.7159.5-173-68.80000111.1T75 K106 V107 L109 F111 A345T75-V347 HydrophobicContact CG2-CB 4.33Å; T75-V347 HydrophobicContact CG2-CG2 3.74Å; K106-V347 CarbonylContact C-O 3.48Å; K106-V347 WeakPolarHBondContact CA-O 3.25Å; V107-V347 PolarHBondContact N-O 3.46Å; V107-V347 PolarHBondContact O-N 2.87Å; L109-V347 HydrophobicContact CB-CG2 4.09Å; L109-V347 HydrophobicContact CD1-CG2 3.64Å; L109-V347 HydrophobicContact CG-CG2 3.68Å; F111-V347 HydrophobicContact CE2-CG1 4.49Å; F111-V347 HydrophobicContact CE2-CG2 4.34Å; F111-V347 HydrophobicContact CZ-CG2 4.4Å; A345-V347 HydrophobicContact CB-CG1 4.07Å
348N98.2Very high98.3Very high82 Ų8230.4 Ų30.444%0.43917%0.165SC..EExtended strand (participates in β ladder)trans-84.6122.3176.5-69.9-25.4000110T75 Y105T75-N348 WeakPolarHBondContact CG2-O 3.24Å; Y105-N348 CarbonylContact O-C 3.59Å; Y105-N348 WeakPolarHBondContact O-CA 3.47Å
349S98.6Very high98.2Very high2 Ų233.7 Ų33.71%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-109145.6166.7-178.50000109.4E104 Y105E104-S349 WeakPolarHBondContact CA-O 3.26Å; Y105-S349 PolarHBondContact N-O 3.25Å; Y105-S349 PolarHBondContact O-N 3.28Å
350A98.6Very high98.1Very high2 Ų233.9 Ų33.92%0.01719%0.191CC..EExtended strand (participates in β ladder)trans-119.5128.3-17700000111.6V83 R102 E104 R372V83-A350 HydrophobicContact CG2-CB 4.21Å; R102-A350 HydrophobicContact CG-CB 3.92Å; R102-A350 VanDerWaalsContact CZ-CB 3.45Å; E104-A350 HydrophobicContact CG-CB 4.28Å; A350-R372 PolarHBondContact O-NH1 3.19Å; A350-R372 PolarHBondContact O-NH2 2.8Å
351N98.9Very high98.1Very high0 Ų034.2 Ų34.20%019%0.192CC..EExtended strand (participates in β ladder)trans-82.5151.3155.2-64.1-14.1000109.2Q103 Y105 M353 S415 W416 G417 G425Q103-N351 HydrophobicContact CB-CB 4.26Å; Q103-N351 PolarHBondContact N-O 3.22Å; Q103-N351 PolarHBondContact O-N 3.26Å; Y105-N351 WeakPolarHBondContact CE2-ND2 3.46Å; N351-M353 HydrophobicContact CB-SD 4Å; N351-S415 CarbonylContact C-O 3.59Å; N351-S415 VanDerWaalsContact CA-O 3.26Å; N351-S415 WeakPolarHBondContact CA-O 3.37Å; N351-W416 HydrophobicContact CB-CE3 4.3Å; N351-W416 WeakPolarHBondContact OD1-CA 3.37Å; N351-G417 PolarHBondContact OD1-N 3.14Å; N351-G425 PolarHBondContact ND2-O 2.9Å; N351-G425 WeakPolarHBondContact OD1-CA 3.15Å
352V98.9Very high98.1Very high0 Ų033.9 Ų33.90%019%0.194CC..EExtended strand (participates in β ladder)trans-108.9124.2161.7-171.80000108V83 V86 L87 W90 S415V83-V352 HydrophobicContact CB-CG2 4.18Å; V83-V352 HydrophobicContact CG1-CG2 3.65Å; V83-V352 HydrophobicContact CG2-CG2 4.24Å; V86-V352 HydrophobicContact CB-CG1 4.47Å; V86-V352 HydrophobicContact CB-CG2 4.46Å; V86-V352 HydrophobicContact CG1-CB 4.06Å; V86-V352 HydrophobicContact CG1-CG1 3.87Å; L87-V352 HydrophobicContact CD2-CG1 3.55Å; L87-V352 HydrophobicContact CG-CG1 3.68Å; L87-V352 HydrophobicContact CG-CG2 4.28Å; W90-V352 HydrophobicContact CE3-CG1 3.78Å; W90-V352 HydrophobicContact CZ3-CB 4.2Å; W90-V352 HydrophobicContact CZ3-CG1 3.75Å; W90-V352 WeakPolarHBondContact CZ3-O 3.44Å; V352-S415 PolarHBondContact N-O 3.34Å; V352-S415 PolarHBondContact O-N 2.92Å
353M98.9Very high98.1Very high0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-109.2144-180-54.3-53.7-56.600109.8A100 W101 Q103 N351 I412 F413 W416 Y429A100-M353 CarbonylContact C-O 3.55Å; A100-M353 WeakPolarHBondContact CA-O 3.22Å; W101-M353 HydrophobicContact CD2-CB 3.7Å; W101-M353 HydrophobicContact CE3-CB 3.91Å; W101-M353 HydrophobicContact CG-CB 4.43Å; W101-M353 HydrophobicContact CH2-CB 3.55Å; W101-M353 HydrophobicContact CH2-CG 4.43Å; W101-M353 HydrophobicContact CZ2-CB 3.32Å; W101-M353 HydrophobicContact CZ2-CG 3.78Å; W101-M353 HydrophobicContact CZ3-CB 3.84Å; W101-M353 PolarHBondContact N-O 2.88Å; W101-M353 PolarHBondContact O-N 2.92Å; Q103-M353 HydrophobicContact CB-CG 3.91Å; N351-M353 HydrophobicContact CB-SD 4Å; M353-I412 HydrophobicContact CE-CG2 3.8Å; M353-F413 WeakPolarHBondContact CA-O 3.45Å; M353-W416 HydrophobicContact CE-CH2 3.87Å; M353-W416 HydrophobicContact CE-CZ3 3.88Å; M353-W416 HydrophobicContact SD-CE3 4.42Å; M353-W416 HydrophobicContact SD-CH2 4.25Å; M353-W416 HydrophobicContact SD-CZ3 3.65Å; M353-Y429 HydrophobicContact CE-CD2 4.19Å; M353-Y429 HydrophobicContact CE-CE1 4.2Å; M353-Y429 HydrophobicContact CE-CE2 3.61Å; M353-Y429 HydrophobicContact SD-CD2 4.26Å; M353-Y429 HydrophobicContact SD-CE2 4.15Å
354G98.9Very high98.2Very high0 Ų033 Ų330%019%0.188CC..EExtended strand (participates in β ladder)trans-140.4149.3177.400000111.3E99 I412 F413E99-G354 CarbonylContact O-C 3.47Å; E99-G354 WeakPolarHBondContact O-CA 3.31Å; G354-I412 CarbonylContact O-C 3.48Å; G354-I412 WeakPolarHBondContact O-CA 3.14Å; G354-F413 PolarHBondContact N-O 2.94Å; G354-F413 PolarHBondContact O-N 2.61Å
355V98.9Very high98.4Very high26 Ų2632.1 Ų32.116%0.15817%0.174CC..EExtended strand (participates in β ladder)trans-138.7139.9-179.566.30000112.9D98 E99 W101 I411 I412D98-V355 WeakPolarHBondContact CB-O 3.34Å; D98-V355 PolarHBondContact N-O 2.91Å; E99-V355 HydrophobicContact CB-CG1 3.88Å; E99-V355 PolarHBondContact O-N 2.82Å; W101-V355 HydrophobicContact CZ3-CG1 4.26Å; V355-I411 CarbonylContact C-O 3.56Å; V355-I411 VanDerWaalsContact CA-O 3.31Å; V355-I411 WeakPolarHBondContact CA-O 3.49Å; V355-I411 WeakPolarHBondContact CG2-O 3.39Å; V355-I412 HydrophobicContact CG2-CG1 4.39Å
356I98.9Very high98.5Very high1 Ų130.7 Ų30.71%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-111.9114.6159.2-58175.5000106.4L97 L396 V400 W405 P407 S410 I411 F413L97-I356 HydrophobicContact CD2-CD1 3.97Å; L97-I356 HydrophobicContact CD2-CG1 3.84Å; I356-L396 HydrophobicContact CD1-CB 4.11Å; I356-V400 HydrophobicContact CD1-CG2 4.35Å; I356-V400 HydrophobicContact CG2-CG2 3.81Å; I356-W405 HydrophobicContact CD1-CZ3 4.34Å; I356-P407 HydrophobicContact CB-CG 4.48Å; I356-P407 HydrophobicContact CG2-CG 3.71Å; I356-S410 CarbonylContact O-C 3.52Å; I356-S410 WeakPolarHBondContact O-CA 3.18Å; I356-I411 HydrophobicContact CB-CB 4.39Å; I356-I411 PolarHBondContact N-O 3.4Å; I356-I411 PolarHBondContact O-N 3.5Å; I356-F413 HydrophobicContact CD1-CE2 4.09Å; I356-F413 HydrophobicContact CG1-CE2 4.32Å
357R98.8Very high98.5Very high155 Ų15527 Ų2759%0.58514%0.143SC*.  trans-75.1132.7-174.2-177.3179.9-177.1-147.4-0.4111.3D98 P362 R406D98-R357 WeakPolarHBondContact OD2-CB 3.44Å; D98-R357 PolarHBondContact OD2-N 3.1Å; R357-P362 HydrophobicContact CG-CB 4.13Å; R357-R406 PolarHBondContact O-NH1 3.3Å
358G98.5Very high98.5Very high6 Ų625.2 Ų25.26%0.06213%0.132CC..  trans-63.8145.817700000112.9P407 R409 S410G358-P407 CarbonylContact C-O 3.54Å; G358-P407 VanDerWaalsContact CA-O 3.28Å; G358-P407 WeakPolarHBondContact CA-O 3.17Å; G358-R409 VanDerWaalsContact CA-C 3.43Å; G358-R409 WeakPolarHBondContact CA-O 3.24Å; G358-S410 PolarHBondContact N-OG 3.45Å
359S97.1Very high98.6Very high69 Ų6921.3 Ų21.348%0.48311%0.111SC..SBendtrans-84-29178.654.80000113.6P407 R408S359-P407 PolarHBondContact N-O 2.75Å; S359-P407 PolarHBondContact OG-O 3.13Å; S359-P407 VanDerWaalsContact OG-O 3.12Å; S359-R408 PolarHBondContact N-O 2.86Å
360V96.6Very high98.6Very high41 Ų4121.2 Ų21.225%0.24811%0.111CC..SBendtrans-117-47.5-174.2-177.80000111.8V39 P362 R408V39-V360 HydrophobicContact CB-CG1 4.47Å; V39-V360 HydrophobicContact CG1-CG1 4.38Å; V39-V360 HydrophobicContact CG2-CG1 3.97Å; V360-P362 VanDerWaalsContact O-CD 3.25Å; V360-P362 WeakPolarHBondContact O-CD 3.26Å; V360-R408 HydrophobicContact CB-CG 3.78Å; V360-R408 HydrophobicContact CG1-CG 4.42Å; V360-R408 HydrophobicContact CG2-CG 4.15Å; V360-R408 PolarHBondContact N-O 3.19Å; V360-R408 VanDerWaalsContact N-O 3.09Å
361E98Very high98.6Very high7 Ų721.1 Ų21.13%0.03311%0.11CC..EExtended strand (participates in β ladder)trans-120.263.2-178.3-61.5-173.7-127.500110.1D363 R364 R408 R409 R657E361-D363 PolarHBondContact O-N 2.59Å; E361-R364 HydrophobicContact CB-CB 4.22Å; E361-R364 HydrophobicContact CB-CG 4.17Å; E361-R364 PolarHBondContact O-N 2.9Å; E361-R364 WeakPolarHBondContact OE2-CG 3.08Å; E361-R408 PolarHBondContact N-O 2.84Å; E361-R408 IonicContact OE1-CZ 3.19Å; E361-R408 IonicContact OE1-NE 2.69Å; E361-R408 PolarHBondContact OE1-NE 3.23Å; E361-R408 IonicContact OE1-NH2 3.63Å; E361-R408 PolarHBondContact OE1-NH2 2.96Å; E361-R409 HydrophobicContact CB-CG 4.11Å; E361-R409 WeakPolarHBondContact O-CA 3.28Å; E361-R409 IonicContact OE1-NH2 2.85Å; E361-R657 WeakPolarHBondContact OE2-CD 3.34Å; E361-R657 IonicContact OE2-CZ 3.76Å; E361-R657 IonicContact OE2-NE 3.43Å; E361-R657 IonicContact OE2-NH1 3.69Å; E361-R657 PolarHBondContact OE2-NH1 2.95Å
362P98.4Very high98.6Very high46 Ų4621.1 Ų21.130%0.29911%0.11SC..EExtended strand (participates in β ladder)trans-63.9-12.8-177.627-35.4000113.4R357 V360 Y365 S410R357-P362 HydrophobicContact CG-CB 4.13Å; V360-P362 VanDerWaalsContact O-CD 3.25Å; V360-P362 WeakPolarHBondContact O-CD 3.26Å; P362-Y365 WeakPolarHBondContact O-CE1 3.26Å; P362-S410 VanDerWaalsContact CA-OG 3.3Å; P362-S410 WeakPolarHBondContact CA-OG 3.49Å; P362-S410 PolarHBondContact O-OG 3.01Å
363D98.7Very high98.6Very high54 Ų5421.1 Ų21.129%0.28911%0.11SC..EExtended strand (participates in β ladder)trans-92.45.4176.676.6-42.6000113.8E361 R440 R657E361-D363 PolarHBondContact O-N 2.59Å; D363-R440 WeakPolarHBondContact O-CB 3.19Å; D363-R440 WeakPolarHBondContact O-CD 3.3Å; D363-R440 WeakPolarHBondContact O-CG 3.39Å; D363-R657 IonicContact OD1-CZ 2.7Å; D363-R657 IonicContact OD1-NH1 3.33Å; D363-R657 PolarHBondContact OD1-NH1 3.14Å; D363-R657 IonicContact OD1-NH2 3.62Å; D363-R657 PolarHBondContact OD1-NH2 2.8Å; D363-R657 IonicContact OD2-CZ 3.25Å; D363-R657 IonicContact OD2-NH1 3.67Å; D363-R657 IonicContact OD2-NH2 3.43Å; D363-R657 PolarHBondContact OD2-NH2 2.85Å
364R98.9Very high98.6Very high19 Ų1921.1 Ų21.17%0.07211%0.11CC..EExtended strand (participates in β ladder)trans-109.8132.5169.4-69.2-74.4172.4-8610.2109.1E361 R409 S410 R440 V442 R657 D661 M664E361-R364 HydrophobicContact CB-CB 4.22Å; E361-R364 HydrophobicContact CB-CG 4.17Å; E361-R364 PolarHBondContact O-N 2.9Å; E361-R364 WeakPolarHBondContact OE2-CG 3.08Å; R364-R409 HydrophobicContact CB-CB 4.18Å; R364-R409 HydrophobicContact CB-CG 3.95Å; R364-S410 PolarHBondContact O-N 2.9Å; R364-R440 CarbonylContact C-O 3.36Å; R364-R440 WeakPolarHBondContact CA-O 3.19Å; R364-V442 HydrophobicContact CB-CG2 4.01Å; R364-R657 VanDerWaalsContact NH2-CZ 3.31Å; R364-R657 VanDerWaalsContact NH2-NE 3.19Å; R364-D661 IonicContact CZ-OD1 2.7Å; R364-D661 VanDerWaalsContact CZ-OD1 3.28Å; R364-D661 IonicContact NE-OD1 2.68Å; R364-D661 PolarHBondContact NE-OD1 2.95Å; R364-D661 VanDerWaalsContact NH2-CG 3.27Å; R364-D661 IonicContact NH2-OD1 3.67Å; R364-D661 PolarHBondContact NH2-OD1 3.3Å; R364-D661 IonicContact NH2-OD2 2.7Å; R364-D661 PolarHBondContact NH2-OD2 2.95Å; R364-M664 VanDerWaalsContact CD-SD 3.57Å
365Y98.9Very high98.6Very high19 Ų1921.2 Ų21.28%0.07511%0.11CC..EExtended strand (participates in β ladder)trans-113.7126.1-173.2-49.1-39.2000111.1P362 S410 I412 K436 L437 R440 T441 V442P362-Y365 WeakPolarHBondContact O-CE1 3.26Å; Y365-S410 WeakPolarHBondContact CA-O 3.39Å; Y365-I412 HydrophobicContact CD1-CD1 3.92Å; Y365-I412 HydrophobicContact CD2-CD1 4.1Å; Y365-I412 HydrophobicContact CG-CD1 3.71Å; Y365-K436 HydrophobicContact CE2-CD 4.45Å; Y365-K436 HydrophobicContact CE2-CG 3.94Å; Y365-K436 WeakPolarHBondContact OH-CE 3.33Å; Y365-L437 HydrophobicContact CD2-CD2 4.41Å; Y365-R440 HydrophobicContact CD2-CB 3.59Å; Y365-R440 HydrophobicContact CE2-CB 3.42Å; Y365-R440 VanDerWaalsContact CE2-CB 3.42Å; Y365-R440 HydrophobicContact CE2-CG 4.13Å; Y365-R440 HydrophobicContact CG-CB 4.37Å; Y365-R440 PolarHBondContact N-O 3.3Å; Y365-R440 WeakPolarHBondContact OH-CD 3.33Å; Y365-R440 PolarHBondContact OH-NH1 2.78Å; Y365-R440 VanDerWaalsContact OH-NH1 3.13Å; Y365-T441 CarbonylContact O-C 3.53Å; Y365-T441 WeakPolarHBondContact O-CA 3.24Å; Y365-V442 WeakPolarHBondContact O-CB 3.46Å; Y365-V442 PolarHBondContact O-N 3.03Å
366V98.9Very high98.6Very high0 Ų020.1 Ų20.10%010%0.104CC..EExtended strand (participates in β ladder)trans-101.9120.8158.2-173.20000106.7S410 I411 I412 V442 L580 L583 A584V366-S410 PolarHBondContact N-O 2.81Å; V366-I411 CarbonylContact O-C 3.48Å; V366-I411 WeakPolarHBondContact O-CA 3.31Å; V366-I412 PolarHBondContact O-N 2.78Å; V366-V442 HydrophobicContact CG2-CB 4.15Å; V366-V442 HydrophobicContact CG2-CG1 4.33Å; V366-L580 HydrophobicContact CB-CD1 4.22Å; V366-L580 HydrophobicContact CG1-CD1 3.55Å; V366-L583 HydrophobicContact CB-CB 4.42Å; V366-L583 HydrophobicContact CG1-CB 3.77Å; V366-L583 HydrophobicContact CG1-CD1 3.94Å; V366-L583 HydrophobicContact CG2-CB 3.73Å; V366-A584 HydrophobicContact CG2-CB 4.14Å
367I98.9Very high98.6Very high0 Ų020.2 Ų20.20%010%0.104CC..EExtended strand (participates in β ladder)trans-103.2131.8-177.1-53.2-178.6000108.2I412 W416 L437 T441 G443 Y444 I445 F520I367-I412 CarbonylContact C-O 3.45Å; I367-I412 VanDerWaalsContact CA-O 3.28Å; I367-I412 WeakPolarHBondContact CA-O 3.39Å; I367-I412 HydrophobicContact CG1-CB 4.2Å; I367-W416 HydrophobicContact CG2-CZ2 4.37Å; I367-L437 HydrophobicContact CD1-CD2 3.87Å; I367-T441 HydrophobicContact CD1-CG2 3.74Å; I367-T441 HydrophobicContact CG1-CG2 3.89Å; I367-G443 PolarHBondContact N-O 3.38Å; I367-Y444 HydrophobicContact CB-CD2 3.84Å; I367-Y444 HydrophobicContact CG2-CD2 3.6Å; I367-Y444 HydrophobicContact CG2-CE2 3.9Å; I367-Y444 CarbonylContact O-C 3.55Å; I367-Y444 WeakPolarHBondContact O-CA 3.29Å; I367-I445 PolarHBondContact O-N 3.32Å; I367-F520 HydrophobicContact CD1-CE1 3.94Å
368Y98.9Very high98.6Very high0 Ų013 Ų130%08%0.078CC..EExtended strand (participates in β ladder)trans-115.8126.4169.4180-74000107.9M389 I392 I412 F413 G414 I445 V447 A576 L580Y368-M389 HydrophobicContact CD1-CB 4.36Å; Y368-M389 HydrophobicContact CD1-CG 3.7Å; Y368-M389 HydrophobicContact CD1-SD 3.75Å; Y368-M389 HydrophobicContact CE1-CB 3.54Å; Y368-M389 HydrophobicContact CE1-CG 3.39Å; Y368-M389 HydrophobicContact CE1-SD 3.75Å; Y368-I392 HydrophobicContact CE2-CD1 3.8Å; Y368-I412 PolarHBondContact N-O 2.9Å; Y368-F413 AromaticContact CD1-CD1 3.87Å; Y368-F413 HydrophobicContact CD1-CD1 3.87Å; Y368-F413 HydrophobicContact CD1-CE1 4.24Å; Y368-F413 HydrophobicContact CG-CD1 4.08Å; Y368-F413 HydrophobicContact CG-CE1 4.12Å; Y368-F413 CarbonylContact O-C 3.56Å; Y368-F413 VanDerWaalsContact O-CA 3.29Å; Y368-F413 WeakPolarHBondContact O-CA 3.43Å; Y368-G414 PolarHBondContact O-N 3.34Å; Y368-I445 CarbonylContact C-O 3.46Å; Y368-I445 WeakPolarHBondContact CA-O 3.14Å; Y368-I445 HydrophobicContact CD2-CB 3.98Å; Y368-I445 HydrophobicContact CD2-CG2 3.76Å; Y368-I445 HydrophobicContact CE2-CG2 3.98Å; Y368-V447 HydrophobicContact CE2-CG2 3.95Å; Y368-V447 WeakPolarHBondContact OH-CB 3.43Å; Y368-A576 HydrophobicContact CE2-CB 4.12Å; Y368-L580 HydrophobicContact CD2-CD2 4.33Å
369G98.9Very high98.6Very high0 Ų012.7 Ų12.70%08%0.075CC..EExtended strand (participates in β ladder)trans-135.7153.3-174.700000114.1G414 Y444 I445 V447G369-G414 VanDerWaalsContact CA-O 3.3Å; G369-G414 WeakPolarHBondContact CA-O 3.2Å; G369-Y444 WeakPolarHBondContact CA-OH 3.42Å; G369-I445 PolarHBondContact N-O 3.31Å; G369-V447 PolarHBondContact O-N 3.09Å
370N98.9Very high98.6Very high0 Ų09.4 Ų9.40%05%0.052CC..EExtended strand (participates in β ladder)trans-161.4133.4175.4162.8-105.4000107.8P382 T386 M389 G414 S415 W416 V447 D448N370-P382 PolarHBondContact ND2-O 2.79Å; N370-T386 PolarHBondContact ND2-N 2.96Å; N370-T386 WeakPolarHBondContact OD1-CA 3.48Å; N370-T386 WeakPolarHBondContact OD1-CB 3.47Å; N370-T386 PolarHBondContact OD1-N 3.47Å; N370-T386 PolarHBondContact OD1-OG1 2.81Å; N370-M389 HydrophobicContact CB-CE 4.14Å; N370-M389 HydrophobicContact CB-SD 4.3Å; N370-G414 PolarHBondContact N-O 2.92Å; N370-G414 VanDerWaalsContact N-O 3.1Å; N370-S415 CarbonylContact O-C 3.41Å; N370-S415 VanDerWaalsContact O-CA 3.29Å; N370-S415 WeakPolarHBondContact O-CA 3.35Å; N370-W416 PolarHBondContact O-N 3.18Å; N370-V447 VanDerWaalsContact CB-O 3.3Å; N370-V447 WeakPolarHBondContact CB-O 3.37Å; N370-V447 PolarHBondContact ND2-O 2.82Å; N370-D448 PolarHBondContact ND2-O 3.47Å; N370-D448 VanDerWaalsContact ND2-O 3.13Å
371H98.9Very high98.8Very high0 Ų07.8 Ų7.80%04%0.042CC..EExtended strand (participates in β ladder)trans-73.5164.9171.172.6109.5000112.3D373 D381 P382 T386 W416 E419 D448 D516H371-D373 PolarHBondContact ND1-O 3.45Å; H371-D373 IonicContact ND1-OD1 3.77Å; H371-D381 IonicContact CE1-OD1 3.74Å; H371-D381 PolarHBondContact CE1-OD1 2.77Å; H371-D381 IonicContact NE2-OD1 3.35Å; H371-D381 PolarHBondContact NE2-OD1 2.97Å; H371-P382 WeakPolarHBondContact CE1-CB 3.29Å; H371-P382 WeakPolarHBondContact ND1-CG 3.21Å; H371-P382 WeakPolarHBondContact NE2-CB 3.3Å; H371-P382 VanDerWaalsContact O-CB 3.26Å; H371-P382 WeakPolarHBondContact O-CB 3.38Å; H371-P382 WeakPolarHBondContact O-CG 3.39Å; H371-T386 PolarHBondContact O-OG1 3.1Å; H371-W416 CarbonylContact C-O 3.59Å; H371-W416 VanDerWaalsContact CA-O 3.31Å; H371-W416 WeakPolarHBondContact CA-O 3.26Å; H371-W416 HydrophobicContact CB-CB 4.07Å; H371-E419 HydrophobicContact CB-CB 3.23Å; H371-E419 HydrophobicContact CB-CG 3.74Å; H371-E419 IonicContact CD2-OE2 3.85Å; H371-E419 IonicContact CE1-OE2 3.61Å; H371-E419 PolarHBondContact CE1-OE2 3.01Å; H371-E419 IonicContact ND1-OE2 3.99Å; H371-E419 IonicContact NE2-OE2 2.74Å; H371-D448 IonicContact CD2-OD1 3.84Å; H371-D448 IonicContact CD2-OD2 2.69Å; H371-D448 PolarHBondContact CD2-OD2 2.95Å; H371-D448 VanDerWaalsContact NE2-CG 3.27Å; H371-D448 IonicContact NE2-OD1 2.72Å; H371-D448 PolarHBondContact NE2-OD1 3.46Å; H371-D448 VanDerWaalsContact NE2-OD1 3.11Å; H371-D448 IonicContact NE2-OD2 3.19Å; H371-D448 PolarHBondContact NE2-OD2 2.87Å; H371-D516 WeakPolarHBondContact CB-OD2 3.29Å; H371-D516 IonicContact CD2-OD2 3.07Å; H371-D516 PolarHBondContact N-OD2 3.15Å
372R98.8Very high98.8Very high0 Ų07.5 Ų7.50%04%0.04CC..  trans-126.4-30.6-170.9-176.1-173.466.1-96.3-11.2112.9H72 D79 T82 A350 S415 W416H72-R372 PolarHBondContact CE1-O 3.45Å; H72-R372 PolarHBondContact ND1-O 3.39Å; D79-R372 IonicContact OD1-CZ 3.71Å; D79-R372 IonicContact OD1-NE 3.8Å; D79-R372 PolarHBondContact OD1-NE 3.35Å; D79-R372 VanDerWaalsContact OD1-NE 3.08Å; D79-R372 IonicContact OD1-NH2 2.72Å; D79-R372 PolarHBondContact OD1-NH2 3.36Å; D79-R372 IonicContact OD2-NH2 2.65Å; T82-R372 WeakPolarHBondContact OG1-CD 3.34Å; T82-R372 WeakPolarHBondContact OG1-CG 3.5Å; T82-R372 PolarHBondContact OG1-NE 2.95Å; A350-R372 PolarHBondContact O-NH1 3.19Å; A350-R372 PolarHBondContact O-NH2 2.8Å; R372-S415 WeakPolarHBondContact CB-OG 3.27Å; R372-S415 PolarHBondContact NH1-O 2.84Å; R372-S415 VanDerWaalsContact NH1-O 3.12Å; R372-S415 PolarHBondContact NH1-OG 3.36Å; R372-W416 PolarHBondContact N-O 3.42Å
373D98.8Very high98.8Very high0 Ų05.3 Ų5.30%03%0.026CC..  trans-68.7147.3173.658.8-65.8000110.8H72 A74 H371 P382 A418 E419 E420H72-D373 WeakPolarHBondContact O-CA 3.3Å; A74-D373 HydrophobicContact CB-CB 3.73Å; H371-D373 PolarHBondContact ND1-O 3.45Å; H371-D373 IonicContact ND1-OD1 3.77Å; D373-P382 VanDerWaalsContact O-CD 3.28Å; D373-P382 WeakPolarHBondContact O-CD 3.4Å; D373-P382 WeakPolarHBondContact O-CG 3.43Å; D373-A418 PolarHBondContact OD1-N 3.02Å; D373-A418 WeakPolarHBondContact OD2-CA 3.43Å; D373-A418 PolarHBondContact OD2-N 2.8Å; D373-E419 PolarHBondContact OD1-N 3.32Å; D373-E419 PolarHBondContact OD2-N 2.89Å; D373-E420 WeakPolarHBondContact OD2-CB 3.15Å; D373-E420 PolarHBondContact OD2-N 3.13Å; D373-E420 VanDerWaalsContact OD2-N 3.09Å
374S98.8Very high98.8Very high0 Ų02.8 Ų2.80%01%0.013CC..  trans-139.1157.117669.40000111.2H72 M73 V376 G378 D381H72-S374 CarbonylContact C-O 3.58Å; H72-S374 PolarHBondContact CD2-OG 3.39Å; H72-S374 VanDerWaalsContact CE1-CB 3.41Å; H72-S374 WeakPolarHBondContact CE1-CB 3.43Å; H72-S374 PolarHBondContact CE1-OG 2.98Å; H72-S374 PolarHBondContact ND1-OG 3.19Å; H72-S374 PolarHBondContact NE2-OG 3.02Å; H72-S374 PolarHBondContact O-N 3.25Å; H72-S374 VanDerWaalsContact O-N 3.15Å; M73-S374 WeakPolarHBondContact CA-O 3.5Å; M73-S374 PolarHBondContact N-O 3.46Å; M73-S374 VanDerWaalsContact N-O 3.14Å; S374-V376 VanDerWaalsContact C-N 3.28Å; S374-V376 PolarHBondContact O-N 3.21Å; S374-V376 PolarHBondContact OG-O 3.02Å; S374-G378 PolarHBondContact OG-N 2.8Å; S374-D381 WeakPolarHBondContact CB-O 3.26Å
375W98.7Very high98.8Very high3 Ų31.9 Ų1.91%0.0111%0.009CC..SBendtrans-60.2-34.5176.1-76.9105.6000115.2M73 V150 F153 A155 R249 G250 E420 F421 H549M73-W375 HydrophobicContact SD-CE3 4.34Å; M73-W375 HydrophobicContact SD-CZ3 4.28Å; V150-W375 WeakPolarHBondContact CG1-O 3.43Å; F153-W375 AromaticContact CE1-CE3 3.99Å; F153-W375 HydrophobicContact CE1-CE3 3.99Å; F153-W375 HydrophobicContact CE1-CH2 4.41Å; F153-W375 AromaticContact CE1-CZ3 3.46Å; F153-W375 HydrophobicContact CE1-CZ3 3.46Å; F153-W375 VanDerWaalsContact CE1-CZ3 3.46Å; F153-W375 HydrophobicContact CZ-CE3 4.49Å; F153-W375 HydrophobicContact CZ-CH2 4.2Å; F153-W375 AromaticContact CZ-CZ3 3.54Å; F153-W375 HydrophobicContact CZ-CZ3 3.54Å; A155-W375 HydrophobicContact CB-CH2 3.66Å; A155-W375 HydrophobicContact CB-CZ3 4.41Å; R249-W375 HydrophobicContact CB-CB 4.03Å; R249-W375 HydrophobicContact CB-CD2 3.49Å; R249-W375 VanDerWaalsContact CB-CD2 3.49Å; R249-W375 HydrophobicContact CB-CE3 3.85Å; R249-W375 HydrophobicContact CB-CG 3.54Å; R249-W375 HydrophobicContact CG-CD2 4.46Å; R249-W375 HydrophobicContact CG-CE3 4.43Å; G250-W375 VanDerWaalsContact CA-CE2 3.46Å; W375-E420 HydrophobicContact CZ2-CB 4.04Å; W375-E420 VanDerWaalsContact CZ2-O 3.27Å; W375-E420 WeakPolarHBondContact CZ2-O 3.43Å; W375-E420 PolarHBondContact N-OE1 3.2Å; W375-E420 PolarHBondContact NE1-OE1 3.38Å; W375-E420 PolarHBondContact NE1-OE2 3.36Å; W375-F421 HydrophobicContact CH2-CD1 4.33Å; W375-F421 AromaticContact CH2-CE1 3.85Å; W375-F421 HydrophobicContact CH2-CE1 3.85Å; W375-F421 HydrophobicContact CH2-CE2 4.16Å; W375-F421 AromaticContact CH2-CZ 3.77Å; W375-F421 HydrophobicContact CH2-CZ 3.77Å; W375-F421 HydrophobicContact CZ3-CE1 4.17Å; W375-F421 HydrophobicContact CZ3-CE2 4.19Å; W375-F421 AromaticContact CZ3-CZ 3.72Å; W375-F421 HydrophobicContact CZ3-CZ 3.72Å; W375-H549 AromaticContact CD1-CD2 3.62Å; W375-H549 AromaticContact CD1-CE1 3.47Å; W375-H549 VanDerWaalsContact CD1-CE1 3.47Å; W375-H549 AromaticContact CD1-CG 3.3Å; W375-H549 AromaticContact CD1-ND1 3.24Å; W375-H549 AromaticContact CD1-NE2 3.77Å; W375-H549 HydrophobicContact CG-CB 4.34Å; W375-H549 AromaticContact NE1-CE1 3.26Å; W375-H549 PolarHBondContact NE1-CE1 2.87Å; W375-H549 VanDerWaalsContact NE1-CE1 3.26Å; W375-H549 AromaticContact NE1-CG 3.82Å; W375-H549 AromaticContact NE1-ND1 3.23Å; W375-H549 PolarHBondContact NE1-ND1 3.38Å; W375-H549 AromaticContact NE1-NE2 3.93Å
376V98.6Very high98.8Very high3 Ų31 Ų12%0.0181%0.006CC..SBendtrans-138.7-111.7179.3-163.90000109.6P71 H72 V149 S374 A551P71-V376 CarbonylContact C-O 3.55Å; P71-V376 WeakPolarHBondContact CA-O 3.4Å; P71-V376 HydrophobicContact CB-CG1 4.16Å; P71-V376 HydrophobicContact CG-CG1 4.15Å; H72-V376 PolarHBondContact N-O 3.49Å; V149-V376 HydrophobicContact CB-CG1 4.23Å; V149-V376 HydrophobicContact CG1-CG1 3.95Å; V149-V376 HydrophobicContact CG2-CG1 3.73Å; S374-V376 VanDerWaalsContact C-N 3.28Å; S374-V376 PolarHBondContact O-N 3.21Å; S374-V376 PolarHBondContact OG-O 3.02Å; V376-A551 HydrophobicContact CG1-CB 4.27Å; V376-A551 HydrophobicContact CG2-CB 4.34Å
377H98.7Very high98.8Very high2 Ų21 Ų11%0.0091%0.006CC..SBendtrans-87.3-21.1178.6-63.583.8000112.8T68 P71 H72 D143 A379 D553T68-H377 WeakPolarHBondContact CG2-O 3.47Å; T68-H377 PolarHBondContact O-CD2 3.14Å; P71-H377 WeakPolarHBondContact CD-NE2 3.5Å; H72-H377 PolarHBondContact NE2-O 2.83Å; D143-H377 PolarHBondContact O-CE1 3.28Å; H377-A379 PolarHBondContact O-N 3.16Å; H377-D553 WeakPolarHBondContact CB-O 3.35Å
378G98.6Very high98.8Very high3 Ų31 Ų13%0.0311%0.006CC..  trans51.647.5168.300000116.1S374 D381 S383 D553S374-G378 PolarHBondContact OG-N 2.8Å; G378-D381 CarbonylContact C-O 3.47Å; G378-D381 VanDerWaalsContact C-O 3.3Å; G378-D381 WeakPolarHBondContact CA-O 3.33Å; G378-D381 CarbonylContact O-C 3.51Å; G378-S383 WeakPolarHBondContact O-CB 3.42Å; G378-S383 PolarHBondContact O-N 3.23Å; G378-S383 PolarHBondContact O-OG 3.01Å; G378-D553 PolarHBondContact N-O 3.47Å
379A98.8Very high98.8Very high0 Ų01 Ų10%01%0.006CC..THydrogen-bonded Turntrans-69.5-40.4-176.800000113L64 T68 H377 S384 D553 T554 A558L64-A379 HydrophobicContact CD1-CB 4.35Å; L64-A379 WeakPolarHBondContact CD1-O 2.93Å; T68-A379 VanDerWaalsContact CG2-CA 3.42Å; T68-A379 HydrophobicContact CG2-CB 3.61Å; H377-A379 PolarHBondContact O-N 3.16Å; A379-S384 WeakPolarHBondContact O-CB 3.36Å; A379-S384 PolarHBondContact O-N 3.39Å; A379-D553 WeakPolarHBondContact CB-OD1 3.3Å; A379-D553 PolarHBondContact N-O 2.86Å; A379-D553 PolarHBondContact N-OD1 3.26Å; A379-D553 VanDerWaalsContact N-OD1 3.12Å; A379-T554 VanDerWaalsContact CB-O 3.24Å; A379-T554 WeakPolarHBondContact CB-O 3.49Å; A379-A558 HydrophobicContact CB-CB 4.14Å
380I98.8Very high98.8Very high0 Ų01 Ų10%01%0.006CC..THydrogen-bonded Turntrans-83-55.1170.8-57.8-49.9000108.7P382 S384 I449 V451 Y545 D553 Y557 A558 I562I380-P382 CarbonylContact O-C 3.54Å; I380-S384 VanDerWaalsContact O-CB 3.29Å; I380-S384 WeakPolarHBondContact O-CB 3.37Å; I380-S384 PolarHBondContact O-N 3.13Å; I380-S384 PolarHBondContact O-OG 3.48Å; I380-I449 HydrophobicContact CG2-CB 4.44Å; I380-I449 HydrophobicContact CG2-CG1 4.2Å; I380-I449 HydrophobicContact CG2-CG2 3.44Å; I380-I449 VanDerWaalsContact CG2-CG2 3.44Å; I380-V451 WeakPolarHBondContact CG2-O 3.44Å; I380-Y545 HydrophobicContact CB-CD2 4.26Å; I380-Y545 HydrophobicContact CB-CE1 4.14Å; I380-Y545 HydrophobicContact CB-CE2 3.66Å; I380-Y545 HydrophobicContact CG1-CD2 4.26Å; I380-Y545 HydrophobicContact CG1-CE2 3.99Å; I380-Y545 HydrophobicContact CG2-CD1 3.84Å; I380-Y545 HydrophobicContact CG2-CD2 4.2Å; I380-Y545 HydrophobicContact CG2-CE1 3.55Å; I380-Y545 HydrophobicContact CG2-CE2 3.89Å; I380-Y545 HydrophobicContact CG2-CG 4.17Å; I380-D553 WeakPolarHBondContact CG1-OD1 3.43Å; I380-D553 PolarHBondContact N-OD1 3.09Å; I380-D553 PolarHBondContact N-OD2 3.34Å; I380-Y557 HydrophobicContact CG1-CD1 4.19Å; I380-Y557 HydrophobicContact CG1-CE1 4.23Å; I380-A558 HydrophobicContact CD1-CB 3.53Å; I380-A558 HydrophobicContact CG1-CB 4.47Å; I380-I562 HydrophobicContact CD1-CB 4.04Å; I380-I562 HydrophobicContact CD1-CG1 3.96Å; I380-I562 HydrophobicContact CD1-CG2 3.79Å; I380-I562 HydrophobicContact CG1-CG1 4.29Å
381D98.8Very high98.8Very high8 Ų81 Ų14%0.0431%0.006CC..THydrogen-bonded Turntrans-108107.9-177.7-170.1-14.3000111.7H371 S374 G378 I449 Y545 Y548 H549 D553H371-D381 IonicContact CE1-OD1 3.74Å; H371-D381 PolarHBondContact CE1-OD1 2.77Å; H371-D381 IonicContact NE2-OD1 3.35Å; H371-D381 PolarHBondContact NE2-OD1 2.97Å; S374-D381 WeakPolarHBondContact CB-O 3.26Å; G378-D381 CarbonylContact C-O 3.47Å; G378-D381 VanDerWaalsContact C-O 3.3Å; G378-D381 WeakPolarHBondContact CA-O 3.33Å; G378-D381 CarbonylContact O-C 3.51Å; D381-I449 HydrophobicContact CB-CD1 3.89Å; D381-I449 HydrophobicContact CB-CG1 3.8Å; D381-Y545 HydrophobicContact CB-CE1 4.49Å; D381-Y545 WeakPolarHBondContact CB-OH 3.45Å; D381-Y545 PolarHBondContact N-OH 3.28Å; D381-Y548 VanDerWaalsContact OD2-CE2 3.3Å; D381-Y548 WeakPolarHBondContact OD2-CE2 3.3Å; D381-H549 IonicContact OD2-CD2 3.33Å; D381-H549 IonicContact OD2-NE2 3.37Å; D381-H549 PolarHBondContact OD2-NE2 3.21Å; D381-D553 PolarHBondContact N-OD2 3.38Å
382P98.8Very high98.8Very high0 Ų01 Ų10%01%0.006CC..THydrogen-bonded Turncis-108.34-2.639.4-36.2000114N370 H371 D373 I380 S384 G385 T386N370-P382 PolarHBondContact ND2-O 2.79Å; H371-P382 WeakPolarHBondContact CE1-CB 3.29Å; H371-P382 WeakPolarHBondContact ND1-CG 3.21Å; H371-P382 WeakPolarHBondContact NE2-CB 3.3Å; H371-P382 VanDerWaalsContact O-CB 3.26Å; H371-P382 WeakPolarHBondContact O-CB 3.38Å; H371-P382 WeakPolarHBondContact O-CG 3.39Å; D373-P382 VanDerWaalsContact O-CD 3.28Å; D373-P382 WeakPolarHBondContact O-CD 3.4Å; D373-P382 WeakPolarHBondContact O-CG 3.43Å; I380-P382 CarbonylContact O-C 3.54Å; P382-S384 PolarHBondContact O-N 3.19Å; P382-G385 PolarHBondContact O-N 3.46Å; P382-T386 PolarHBondContact O-N 3.26Å; P382-T386 VanDerWaalsContact O-N 3.13Å; P382-T386 PolarHBondContact O-OG1 2.8Å
383S98.9Very high98.8Very high1 Ų11.1 Ų1.11%0.0071%0.007CC..Hα-helixtrans-62-20.9-166.1-61.50000112.7L64 H72 G378 T386 A387L64-S383 VanDerWaalsContact CD1-CB 3.49Å; H72-S383 PolarHBondContact CE1-OG 3Å; H72-S383 PolarHBondContact NE2-OG 2.93Å; G378-S383 WeakPolarHBondContact O-CB 3.42Å; G378-S383 PolarHBondContact O-N 3.23Å; G378-S383 PolarHBondContact O-OG 3.01Å; S383-T386 PolarHBondContact O-N 2.77Å; S383-A387 WeakPolarHBondContact O-CB 3.31Å; S383-A387 PolarHBondContact O-N 3.38Å
384S98.9Very high98.8Very high0 Ų01.9 Ų1.90%01%0.009CC..Hα-helixtrans-62.9-39.2172730000112.4A379 I380 P382 V388 S450 H569A379-S384 WeakPolarHBondContact O-CB 3.36Å; A379-S384 PolarHBondContact O-N 3.39Å; I380-S384 VanDerWaalsContact O-CB 3.29Å; I380-S384 WeakPolarHBondContact O-CB 3.37Å; I380-S384 PolarHBondContact O-N 3.13Å; I380-S384 PolarHBondContact O-OG 3.48Å; P382-S384 PolarHBondContact O-N 3.19Å; S384-V388 WeakPolarHBondContact O-CG2 3.47Å; S384-V388 PolarHBondContact O-N 3.25Å; S384-S450 WeakPolarHBondContact CB-OG 3.47Å; S384-S450 PolarHBondContact O-OG 2.88Å; S384-S450 PolarHBondContact OG-N 3Å; S384-S450 PolarHBondContact OG-OG 2.93Å; S384-H569 WeakPolarHBondContact CB-NE2 3.35Å
385G98.9Very high98.8Very high0 Ų01.9 Ų1.90%01%0.009CC..Hα-helixtrans-76-39.4172.700000112.3P382 A387 V388 M389 D448P382-G385 PolarHBondContact O-N 3.46Å; G385-A387 VanDerWaalsContact C-N 3.26Å; G385-A387 PolarHBondContact O-N 3.04Å; G385-V388 WeakPolarHBondContact O-CB 3.27Å; G385-V388 PolarHBondContact O-N 3.04Å; G385-V388 VanDerWaalsContact O-N 3.09Å; G385-M389 PolarHBondContact O-N 2.8Å; G385-D448 WeakPolarHBondContact CA-O 3.42Å; G385-D448 PolarHBondContact N-O 3.4Å
386T98.9Very high98.9Very high1 Ų11.7 Ų1.71%0.0061%0.009CC..Hα-helixtrans-61.1-40.2176.7-440000110.5L67 V86 N370 H371 P382 S383 V388 M389 L390L67-T386 HydrophobicContact CD1-CG2 3.81Å; L67-T386 HydrophobicContact CD2-CG2 3.87Å; V86-T386 HydrophobicContact CG2-CG2 4.29Å; N370-T386 PolarHBondContact ND2-N 2.96Å; N370-T386 WeakPolarHBondContact OD1-CA 3.48Å; N370-T386 WeakPolarHBondContact OD1-CB 3.47Å; N370-T386 PolarHBondContact OD1-N 3.47Å; N370-T386 PolarHBondContact OD1-OG1 2.81Å; H371-T386 PolarHBondContact O-OG1 3.1Å; P382-T386 PolarHBondContact O-N 3.26Å; P382-T386 VanDerWaalsContact O-N 3.13Å; P382-T386 PolarHBondContact O-OG1 2.8Å; S383-T386 PolarHBondContact O-N 2.77Å; T386-V388 VanDerWaalsContact C-N 3.33Å; T386-V388 PolarHBondContact O-N 3.01Å; T386-M389 HydrophobicContact CG2-CE 4.29Å; T386-M389 WeakPolarHBondContact O-CB 3.45Å; T386-M389 PolarHBondContact O-N 2.99Å; T386-L390 HydrophobicContact CG2-CD1 4.39Å; T386-L390 HydrophobicContact CG2-CG 4.47Å; T386-L390 WeakPolarHBondContact O-CB 3.32Å; T386-L390 VanDerWaalsContact O-CG 3.3Å; T386-L390 WeakPolarHBondContact O-CG 3.41Å; T386-L390 PolarHBondContact O-N 2.74Å
387A98.9Very high98.9Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-61-41.3175.500000112.5N63 L64 L67 S383 G385 E391N63-A387 HydrophobicContact CB-CB 3.74Å; N63-A387 PolarHBondContact ND2-O 3.31Å; L64-A387 HydrophobicContact CB-CB 4.07Å; L67-A387 HydrophobicContact CD1-CB 4.21Å; S383-A387 WeakPolarHBondContact O-CB 3.31Å; S383-A387 PolarHBondContact O-N 3.38Å; G385-A387 VanDerWaalsContact C-N 3.26Å; G385-A387 PolarHBondContact O-N 3.04Å; A387-E391 PolarHBondContact O-N 2.86Å
388V98.9Very high98.9Very high0 Ų03.9 Ų3.90%02%0.017CC..Hα-helixtrans-65.4-46174.3168.50000111.2L60 S384 G385 T386 L390 E391 I392 H569 G573L60-V388 HydrophobicContact CD2-CB 4.35Å; L60-V388 HydrophobicContact CD2-CG2 3.85Å; S384-V388 WeakPolarHBondContact O-CG2 3.47Å; S384-V388 PolarHBondContact O-N 3.25Å; G385-V388 WeakPolarHBondContact O-CB 3.27Å; G385-V388 PolarHBondContact O-N 3.04Å; G385-V388 VanDerWaalsContact O-N 3.09Å; T386-V388 VanDerWaalsContact C-N 3.33Å; T386-V388 PolarHBondContact O-N 3.01Å; V388-L390 VanDerWaalsContact C-N 3.35Å; V388-L390 PolarHBondContact O-N 2.86Å; V388-E391 PolarHBondContact O-N 2.82Å; V388-I392 HydrophobicContact CG1-CD1 3.79Å; V388-I392 HydrophobicContact CG1-CG1 4.34Å; V388-I392 WeakPolarHBondContact O-CG1 3.5Å; V388-I392 PolarHBondContact O-N 2.89Å; V388-H569 HydrophobicContact CG2-CB 4.3Å; V388-G573 VanDerWaalsContact CG1-CA 3.41Å
389M98.9Very high98.9Very high0 Ų03.7 Ų3.70%02%0.015CC..Hα-helixtrans-58.1-45.8177.2-173.7168.454.400112.1W90 Y368 N370 G385 T386 E391 I392 T393 F413W90-M389 HydrophobicContact CH2-CE 4.23Å; W90-M389 HydrophobicContact CH2-SD 4.21Å; W90-M389 HydrophobicContact CZ2-CE 3.94Å; W90-M389 HydrophobicContact CZ2-CG 4.15Å; W90-M389 HydrophobicContact CZ2-SD 3.87Å; Y368-M389 HydrophobicContact CD1-CB 4.36Å; Y368-M389 HydrophobicContact CD1-CG 3.7Å; Y368-M389 HydrophobicContact CD1-SD 3.75Å; Y368-M389 HydrophobicContact CE1-CB 3.54Å; Y368-M389 HydrophobicContact CE1-CG 3.39Å; Y368-M389 HydrophobicContact CE1-SD 3.75Å; N370-M389 HydrophobicContact CB-CE 4.14Å; N370-M389 HydrophobicContact CB-SD 4.3Å; G385-M389 PolarHBondContact O-N 2.8Å; T386-M389 HydrophobicContact CG2-CE 4.29Å; T386-M389 WeakPolarHBondContact O-CB 3.45Å; T386-M389 PolarHBondContact O-N 2.99Å; M389-E391 VanDerWaalsContact C-N 3.27Å; M389-E391 PolarHBondContact O-N 2.94Å; M389-I392 PolarHBondContact O-N 3Å; M389-T393 HydrophobicContact CG-CG2 4.46Å; M389-T393 WeakPolarHBondContact O-CB 3.16Å; M389-T393 WeakPolarHBondContact O-CG2 3.38Å; M389-T393 PolarHBondContact O-N 3.46Å; M389-T393 PolarHBondContact O-OG1 2.8Å; M389-F413 HydrophobicContact CG-CD1 4.3Å
390L98.9Very high98.8Very high0 Ų04.5 Ų4.50%02%0.02CC..Hα-helixtrans-63.5-33.8178.7-72.9179.5000112.2N63 L67 Y85 V86 R89 T386 V388 T393 R394N63-L390 WeakPolarHBondContact ND2-CB 3.03Å; L67-L390 HydrophobicContact CD1-CD1 4.31Å; Y85-L390 HydrophobicContact CD1-CD1 3.94Å; Y85-L390 HydrophobicContact CE1-CD1 3.49Å; Y85-L390 VanDerWaalsContact CE1-CD1 3.49Å; V86-L390 HydrophobicContact CG1-CD2 4.29Å; V86-L390 HydrophobicContact CG2-CD2 4.31Å; R89-L390 HydrophobicContact CB-CD2 3.94Å; R89-L390 HydrophobicContact CG-CD2 4.2Å; T386-L390 HydrophobicContact CG2-CD1 4.39Å; T386-L390 HydrophobicContact CG2-CG 4.47Å; T386-L390 WeakPolarHBondContact O-CB 3.32Å; T386-L390 VanDerWaalsContact O-CG 3.3Å; T386-L390 WeakPolarHBondContact O-CG 3.41Å; T386-L390 PolarHBondContact O-N 2.74Å; V388-L390 VanDerWaalsContact C-N 3.35Å; V388-L390 PolarHBondContact O-N 2.86Å; L390-T393 VanDerWaalsContact CA-OG1 3.29Å; L390-T393 WeakPolarHBondContact CA-OG1 3.22Å; L390-T393 PolarHBondContact O-OG1 3.48Å; L390-T393 VanDerWaalsContact O-OG1 3.07Å; L390-R394 VanDerWaalsContact O-CB 3.3Å; L390-R394 WeakPolarHBondContact O-CB 3.49Å; L390-R394 PolarHBondContact O-N 2.79Å
391E98.9Very high98.8Very high1 Ų18.7 Ų8.71%0.0054%0.038CC..Hα-helixtrans-74.7-42.8175.7179.259.7-17800112.5V55 E56 Q59 L60 A387 V388 M389 T393 R394 V395V55-E391 WeakPolarHBondContact CA-OE1 3.25Å; V55-E391 HydrophobicContact CG1-CG 3.89Å; E56-E391 PolarHBondContact N-OE1 2.83Å; Q59-E391 VanDerWaalsContact CB-OE2 3.24Å; Q59-E391 WeakPolarHBondContact CB-OE2 3.47Å; L60-E391 HydrophobicContact CD2-CB 3.66Å; L60-E391 HydrophobicContact CD2-CG 4.06Å; L60-E391 HydrophobicContact CG-CB 4.23Å; L60-E391 HydrophobicContact CG-CG 4.16Å; A387-E391 PolarHBondContact O-N 2.86Å; V388-E391 PolarHBondContact O-N 2.82Å; M389-E391 VanDerWaalsContact C-N 3.27Å; M389-E391 PolarHBondContact O-N 2.94Å; E391-T393 VanDerWaalsContact C-N 3.33Å; E391-T393 PolarHBondContact O-N 2.88Å; E391-R394 PolarHBondContact O-N 2.9Å; E391-R394 IonicContact OE1-CZ 2.71Å; E391-R394 IonicContact OE1-NE 3.87Å; E391-R394 IonicContact OE1-NH2 3.98Å; E391-R394 PolarHBondContact OE1-NH2 2.86Å; E391-R394 IonicContact OE2-CZ 3.9Å; E391-R394 IonicContact OE2-NE 2.91Å; E391-R394 PolarHBondContact OE2-NE 2.82Å; E391-R394 IonicContact OE2-NH2 2.61Å; E391-R394 PolarHBondContact OE2-NH2 2.86Å; E391-V395 WeakPolarHBondContact O-CG2 3.37Å; E391-V395 PolarHBondContact O-N 2.81Å; E391-V395 VanDerWaalsContact O-N 3.08Å
392I98.9Very high98.8Very high0 Ų013 Ų130%06%0.058CC..Hα-helixtrans-57.3-49.6173.8-67.8171.5000109.9F51 Y368 V388 M389 R394 V395 L396 F413 A576 L580F51-I392 HydrophobicContact CE2-CG2 4.38Å; F51-I392 HydrophobicContact CZ-CG1 4.19Å; F51-I392 HydrophobicContact CZ-CG2 4.42Å; Y368-I392 HydrophobicContact CE2-CD1 3.8Å; V388-I392 HydrophobicContact CG1-CD1 3.79Å; V388-I392 HydrophobicContact CG1-CG1 4.34Å; V388-I392 WeakPolarHBondContact O-CG1 3.5Å; V388-I392 PolarHBondContact O-N 2.89Å; M389-I392 PolarHBondContact O-N 3Å; I392-R394 PolarHBondContact O-N 3.12Å; I392-V395 PolarHBondContact O-N 3.39Å; I392-L396 HydrophobicContact CG2-CD1 3.72Å; I392-L396 HydrophobicContact CG2-CG 4.27Å; I392-L396 WeakPolarHBondContact O-CB 3.47Å; I392-L396 WeakPolarHBondContact O-CG 3.37Å; I392-L396 PolarHBondContact O-N 2.77Å; I392-F413 HydrophobicContact CG2-CE1 4.34Å; I392-A576 HydrophobicContact CD1-CB 4.31Å; I392-L580 HydrophobicContact CG2-CD2 3.98Å
393T98.9Very high98.7Very high2 Ų216.3 Ų16.31%0.0129%0.092CC..Hα-helixtrans-64.8-38.8-179.449.20000112.5W90 L97 M389 L390 E391 G397 F413W90-T393 HydrophobicContact CZ2-CG2 4.31Å; W90-T393 PolarHBondContact NE1-OG1 2.94Å; L97-T393 HydrophobicContact CD2-CG2 4.2Å; M389-T393 HydrophobicContact CG-CG2 4.46Å; M389-T393 WeakPolarHBondContact O-CB 3.16Å; M389-T393 WeakPolarHBondContact O-CG2 3.38Å; M389-T393 PolarHBondContact O-N 3.46Å; M389-T393 PolarHBondContact O-OG1 2.8Å; L390-T393 VanDerWaalsContact CA-OG1 3.29Å; L390-T393 WeakPolarHBondContact CA-OG1 3.22Å; L390-T393 PolarHBondContact O-OG1 3.48Å; L390-T393 VanDerWaalsContact O-OG1 3.07Å; E391-T393 VanDerWaalsContact C-N 3.33Å; E391-T393 PolarHBondContact O-N 2.88Å; T393-G397 WeakPolarHBondContact O-CA 3.48Å; T393-G397 PolarHBondContact O-N 3.16Å; T393-F413 HydrophobicContact CG2-CB 4.43Å; T393-F413 HydrophobicContact CG2-CD1 3.39Å; T393-F413 HydrophobicContact CG2-CD2 3.78Å; T393-F413 HydrophobicContact CG2-CE1 3.4Å; T393-F413 HydrophobicContact CG2-CE2 3.77Å; T393-F413 HydrophobicContact CG2-CG 3.59Å; T393-F413 HydrophobicContact CG2-CZ 3.59Å
394R98.9Very high98.5Very high15 Ų1521.7 Ų21.76%0.05712%0.115CC..Hα-helixtrans-59-47.7174-175.7-16569.8116.310.3112E54 E56 T95 L390 E391 I392 R398E54-R394 PolarHBondContact O-NH2 2.81Å; E54-R394 VanDerWaalsContact O-NH2 3.11Å; E56-R394 IonicContact OE2-CZ 3.25Å; E56-R394 IonicContact OE2-NH1 2.77Å; E56-R394 PolarHBondContact OE2-NH1 2.82Å; E56-R394 IonicContact OE2-NH2 3.04Å; E56-R394 PolarHBondContact OE2-NH2 3.42Å; T95-R394 HydrophobicContact CG2-CG 4.33Å; L390-R394 VanDerWaalsContact O-CB 3.3Å; L390-R394 WeakPolarHBondContact O-CB 3.49Å; L390-R394 PolarHBondContact O-N 2.79Å; E391-R394 PolarHBondContact O-N 2.9Å; E391-R394 IonicContact OE1-CZ 2.71Å; E391-R394 IonicContact OE1-NE 3.87Å; E391-R394 IonicContact OE1-NH2 3.98Å; E391-R394 PolarHBondContact OE1-NH2 2.86Å; E391-R394 IonicContact OE2-CZ 3.9Å; E391-R394 IonicContact OE2-NE 2.91Å; E391-R394 PolarHBondContact OE2-NE 2.82Å; E391-R394 IonicContact OE2-NH2 2.61Å; E391-R394 PolarHBondContact OE2-NH2 2.86Å; I392-R394 PolarHBondContact O-N 3.12Å; R394-R398 VanDerWaalsContact CZ-NH2 3.28Å; R394-R398 VanDerWaalsContact O-CB 3.25Å; R394-R398 WeakPolarHBondContact O-CB 3.22Å; R394-R398 PolarHBondContact O-N 3.06Å; R394-R398 VanDerWaalsContact O-N 3.08Å
395V98.9Very high98.4Very high0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-68.7-50.3-177.6176.80000110.4F51 E54 E391 I392 R398 M399F51-V395 HydrophobicContact CD2-CB 4.17Å; F51-V395 HydrophobicContact CD2-CG1 3.58Å; F51-V395 HydrophobicContact CE2-CB 4.14Å; F51-V395 HydrophobicContact CE2-CG1 4.06Å; E54-V395 HydrophobicContact CB-CG1 3.66Å; E54-V395 HydrophobicContact CB-CG2 4.11Å; E54-V395 WeakPolarHBondContact O-CG2 3.38Å; E391-V395 WeakPolarHBondContact O-CG2 3.37Å; E391-V395 PolarHBondContact O-N 2.81Å; E391-V395 VanDerWaalsContact O-N 3.08Å; I392-V395 PolarHBondContact O-N 3.39Å; V395-R398 PolarHBondContact O-N 2.79Å; V395-M399 HydrophobicContact CG1-CE 3.83Å; V395-M399 HydrophobicContact CG1-SD 4.49Å; V395-M399 WeakPolarHBondContact O-CG 3.23Å; V395-M399 PolarHBondContact O-N 3.1Å
396L98.9Very high98.3Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-64.9-45-179.7-67.1-176.6000112.2F51 I356 I392 R398 M399 V400 W405 F413 L580 I581F51-L396 HydrophobicContact CD2-CD2 3.66Å; F51-L396 HydrophobicContact CD2-CG 4.2Å; F51-L396 HydrophobicContact CE2-CD2 4Å; F51-L396 HydrophobicContact CE2-CG 4.06Å; I356-L396 HydrophobicContact CD1-CB 4.11Å; I392-L396 HydrophobicContact CG2-CD1 3.72Å; I392-L396 HydrophobicContact CG2-CG 4.27Å; I392-L396 WeakPolarHBondContact O-CB 3.47Å; I392-L396 WeakPolarHBondContact O-CG 3.37Å; I392-L396 PolarHBondContact O-N 2.77Å; L396-R398 VanDerWaalsContact C-N 3.35Å; L396-R398 PolarHBondContact O-N 2.99Å; L396-M399 PolarHBondContact O-N 2.9Å; L396-V400 WeakPolarHBondContact O-CG2 3.27Å; L396-V400 PolarHBondContact O-N 3.29Å; L396-W405 HydrophobicContact CB-CZ3 3.97Å; L396-W405 HydrophobicContact CD1-CH2 4.36Å; L396-W405 HydrophobicContact CD2-CE3 4.41Å; L396-W405 HydrophobicContact CD2-CH2 3.99Å; L396-W405 HydrophobicContact CD2-CZ3 3.81Å; L396-W405 HydrophobicContact CG-CZ3 4.3Å; L396-F413 HydrophobicContact CD1-CZ 4.29Å; L396-L580 HydrophobicContact CD1-CD2 3.9Å; L396-I581 HydrophobicContact CD2-CD1 4.01Å; L396-I581 HydrophobicContact CD2-CG1 4.05Å
397G98.8Very high98.3Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-58.3-46.3176.600000111.5T95 G96 T393 M399 V400 K401T95-G397 WeakPolarHBondContact O-CA 3.48Å; G96-G397 VanDerWaalsContact O-CA 3.26Å; G96-G397 WeakPolarHBondContact O-CA 3.48Å; T393-G397 WeakPolarHBondContact O-CA 3.48Å; T393-G397 PolarHBondContact O-N 3.16Å; G397-M399 PolarHBondContact O-N 2.8Å; G397-V400 WeakPolarHBondContact O-CB 3.43Å; G397-V400 PolarHBondContact O-N 3.13Å; G397-V400 VanDerWaalsContact O-N 3.13Å; G397-K401 WeakPolarHBondContact O-CG 3.49Å; G397-K401 PolarHBondContact O-N 3.4Å
398R98.7Very high98.3Very high50 Ų5027.5 Ų27.519%0.18914%0.137CC..Hα-helixtrans-57.1-46.1173.4-174.8-169.2-59.21541112.8E54 T95 R394 V395 L396 V400 K401 Q402E54-R398 IonicContact OE2-NH1 3.92Å; E54-R398 PolarHBondContact OE2-NH1 3.43Å; T95-R398 HydrophobicContact CG2-CB 4.1Å; T95-R398 HydrophobicContact CG2-CG 4.35Å; R394-R398 VanDerWaalsContact CZ-NH2 3.28Å; R394-R398 VanDerWaalsContact O-CB 3.25Å; R394-R398 WeakPolarHBondContact O-CB 3.22Å; R394-R398 PolarHBondContact O-N 3.06Å; R394-R398 VanDerWaalsContact O-N 3.08Å; V395-R398 PolarHBondContact O-N 2.79Å; L396-R398 VanDerWaalsContact C-N 3.35Å; L396-R398 PolarHBondContact O-N 2.99Å; R398-V400 PolarHBondContact O-N 3.02Å; R398-K401 PolarHBondContact O-N 3.18Å; R398-Q402 HydrophobicContact CG-CG 4.27Å; R398-Q402 WeakPolarHBondContact O-CB 3.31Å; R398-Q402 VanDerWaalsContact O-CG 3.26Å; R398-Q402 WeakPolarHBondContact O-CG 3.44Å; R398-Q402 PolarHBondContact O-N 3.46Å
399M98.6Very high98.3Very high0 Ų027.5 Ų27.50%014%0.137CC..Hα-helixtrans-60.1-37.4178.2-69.8-179.3176.800111.8L47 Q50 F51 V395 L396 G397 G403 K404 W405L47-M399 HydrophobicContact CD1-SD 3.78Å; Q50-M399 HydrophobicContact CB-CE 4.19Å; Q50-M399 HydrophobicContact CG-CE 3.82Å; F51-M399 HydrophobicContact CB-CE 4.08Å; V395-M399 HydrophobicContact CG1-CE 3.83Å; V395-M399 HydrophobicContact CG1-SD 4.49Å; V395-M399 WeakPolarHBondContact O-CG 3.23Å; V395-M399 PolarHBondContact O-N 3.1Å; L396-M399 PolarHBondContact O-N 2.9Å; G397-M399 PolarHBondContact O-N 2.8Å; M399-G403 PolarHBondContact O-N 3.08Å; M399-K404 PolarHBondContact O-N 2.91Å; M399-W405 HydrophobicContact CB-CB 4.3Å; M399-W405 HydrophobicContact CB-CE3 4.48Å; M399-W405 PolarHBondContact O-N 2.87Å
400V98.5Very high98.3Very high16 Ų1627.8 Ų27.810%0.09714%0.139CC..Hα-helixtrans-67.2-50.1174175.50000111.7I356 L396 G397 R398 Q402 G403 W405I356-V400 HydrophobicContact CD1-CG2 4.35Å; I356-V400 HydrophobicContact CG2-CG2 3.81Å; L396-V400 WeakPolarHBondContact O-CG2 3.27Å; L396-V400 PolarHBondContact O-N 3.29Å; G397-V400 WeakPolarHBondContact O-CB 3.43Å; G397-V400 PolarHBondContact O-N 3.13Å; G397-V400 VanDerWaalsContact O-N 3.13Å; R398-V400 PolarHBondContact O-N 3.02Å; V400-Q402 VanDerWaalsContact C-N 3.26Å; V400-Q402 PolarHBondContact O-N 3.36Å; V400-G403 PolarHBondContact O-N 3.42Å; V400-W405 WeakPolarHBondContact CA-O 3.43Å; V400-W405 HydrophobicContact CG2-CE3 3.7Å; V400-W405 HydrophobicContact CG2-CZ3 3.92Å; V400-W405 WeakPolarHBondContact CG2-O 3.29Å
401K98.1Very high98.3Very high88 Ų8827.8 Ų27.838%0.38314%0.139SC..Hα-helixtrans-62.9-32.3-179.9-62.8-59-178.9-170.40112.5E94 G96 L97 G397 R398 G403E94-K401 WeakPolarHBondContact O-CB 3.22Å; G96-K401 VanDerWaalsContact O-CE 3.31Å; G96-K401 WeakPolarHBondContact O-CE 3.23Å; L97-K401 WeakPolarHBondContact O-CE 3.26Å; L97-K401 PolarHBondContact O-NZ 3.18Å; G397-K401 WeakPolarHBondContact O-CG 3.49Å; G397-K401 PolarHBondContact O-N 3.4Å; R398-K401 PolarHBondContact O-N 3.18Å; K401-G403 PolarHBondContact O-N 3.06Å
402Q97.8Very high98.3Very high100 Ų10028.2 Ų28.247%0.46714%0.141SC..THydrogen-bonded Turntrans-77.9-3.9174.2-68.9178.5-200113.7R398 V400 K404R398-Q402 HydrophobicContact CG-CG 4.27Å; R398-Q402 WeakPolarHBondContact O-CB 3.31Å; R398-Q402 VanDerWaalsContact O-CG 3.26Å; R398-Q402 WeakPolarHBondContact O-CG 3.44Å; R398-Q402 PolarHBondContact O-N 3.46Å; V400-Q402 VanDerWaalsContact C-N 3.26Å; V400-Q402 PolarHBondContact O-N 3.36Å; Q402-K404 HydrophobicContact CB-CD 4.28Å; Q402-K404 HydrophobicContact CB-CG 4.07Å; Q402-K404 PolarHBondContact O-N 3.36Å
403G96.3Very high98.3Very high68 Ų6828.2 Ų28.270%0.70114%0.141SC*.THydrogen-bonded Turntrans68.416.5-177.600000114.2M399 V400 K401M399-G403 PolarHBondContact O-N 3.08Å; V400-G403 PolarHBondContact O-N 3.42Å; K401-G403 PolarHBondContact O-N 3.06Å
404K96Very high98.3Very high115 Ų11528.1 Ų28.150%0.514%0.14SC..SBendtrans-78.7-29.2180-69.6179.4175.8167.90112.4M399 Q402M399-K404 PolarHBondContact O-N 2.91Å; Q402-K404 HydrophobicContact CB-CD 4.28Å; Q402-K404 HydrophobicContact CB-CG 4.07Å; Q402-K404 PolarHBondContact O-N 3.36Å
405W96.8Very high98.3Very high19 Ų1927.4 Ų27.47%0.07214%0.137CC..  trans-153.4148.8-176.1171.770.2000111.7L47 I356 L396 M399 V400 P407 I411 D585L47-W405 HydrophobicContact CD1-CB 3.7Å; L47-W405 HydrophobicContact CD1-CG 3.95Å; L47-W405 HydrophobicContact CD2-CB 4.21Å; L47-W405 HydrophobicContact CD2-CD2 4.04Å; L47-W405 HydrophobicContact CD2-CG 3.54Å; L47-W405 VanDerWaalsContact CD2-NE1 3.3Å; L47-W405 HydrophobicContact CG-CG 4.38Å; I356-W405 HydrophobicContact CD1-CZ3 4.34Å; L396-W405 HydrophobicContact CB-CZ3 3.97Å; L396-W405 HydrophobicContact CD1-CH2 4.36Å; L396-W405 HydrophobicContact CD2-CE3 4.41Å; L396-W405 HydrophobicContact CD2-CH2 3.99Å; L396-W405 HydrophobicContact CD2-CZ3 3.81Å; L396-W405 HydrophobicContact CG-CZ3 4.3Å; M399-W405 HydrophobicContact CB-CB 4.3Å; M399-W405 HydrophobicContact CB-CE3 4.48Å; M399-W405 PolarHBondContact O-N 2.87Å; V400-W405 WeakPolarHBondContact CA-O 3.43Å; V400-W405 HydrophobicContact CG2-CE3 3.7Å; V400-W405 HydrophobicContact CG2-CZ3 3.92Å; V400-W405 WeakPolarHBondContact CG2-O 3.29Å; W405-P407 HydrophobicContact CH2-CB 3.92Å; W405-P407 HydrophobicContact CH2-CG 3.95Å; W405-P407 HydrophobicContact CZ2-CB 3.48Å; W405-P407 VanDerWaalsContact CZ2-CB 3.48Å; W405-P407 HydrophobicContact CZ2-CG 4Å; W405-I411 HydrophobicContact CH2-CD1 3.68Å; W405-I411 HydrophobicContact CZ2-CD1 4.33Å; W405-D585 PolarHBondContact NE1-OD2 2.81Å
406R97.6Very high98.3Very high93 Ų9327.4 Ų27.435%0.35114%0.137SC..  trans-146.3128.2163178.7164.5-85.1-99.3-3.2107.1D98 R357D98-R406 IonicContact OD1-CZ 3.99Å; D98-R406 IonicContact OD1-NH2 3.51Å; D98-R406 PolarHBondContact OD1-NH2 3.35Å; D98-R406 IonicContact OD2-CZ 2.72Å; D98-R406 IonicContact OD2-NH1 3.1Å; D98-R406 PolarHBondContact OD2-NH1 3.43Å; D98-R406 IonicContact OD2-NH2 3.34Å; D98-R406 PolarHBondContact OD2-NH2 3.37Å; R357-R406 PolarHBondContact O-NH1 3.3Å
407P98.3Very high98.3Very high0 Ų027.4 Ų27.40%014%0.137CC..  trans-64.2150.2-175.225.9-34.8000111.2I356 G358 S359 W405 R409 I411 A584 D585I356-P407 HydrophobicContact CB-CG 4.48Å; I356-P407 HydrophobicContact CG2-CG 3.71Å; G358-P407 CarbonylContact C-O 3.54Å; G358-P407 VanDerWaalsContact CA-O 3.28Å; G358-P407 WeakPolarHBondContact CA-O 3.17Å; S359-P407 PolarHBondContact N-O 2.75Å; S359-P407 PolarHBondContact OG-O 3.13Å; S359-P407 VanDerWaalsContact OG-O 3.12Å; W405-P407 HydrophobicContact CH2-CB 3.92Å; W405-P407 HydrophobicContact CH2-CG 3.95Å; W405-P407 HydrophobicContact CZ2-CB 3.48Å; W405-P407 VanDerWaalsContact CZ2-CB 3.48Å; W405-P407 HydrophobicContact CZ2-CG 4Å; P407-R409 VanDerWaalsContact CB-O 3.25Å; P407-R409 WeakPolarHBondContact CB-O 3.47Å; P407-R409 VanDerWaalsContact CG-O 3.31Å; P407-R409 WeakPolarHBondContact CG-O 3.28Å; P407-I411 HydrophobicContact CB-CD1 4.16Å; P407-I411 HydrophobicContact CB-CG1 4.4Å; P407-I411 HydrophobicContact CG-CD1 4.08Å; P407-I411 HydrophobicContact CG-CG1 4.23Å; P407-A584 HydrophobicContact CB-CB 4Å; P407-D585 WeakPolarHBondContact CA-OD1 3.29Å
408R98.3Very high98.3Very high10 Ų1027.4 Ų27.44%0.03814%0.137CC..SBendtrans-56.2-48.7170.1-174.3-171.6173.780.55.6111.7V39 S359 V360 E361 A584 D585V39-R408 PolarHBondContact O-NH1 2.93Å; S359-R408 PolarHBondContact N-O 2.86Å; V360-R408 HydrophobicContact CB-CG 3.78Å; V360-R408 HydrophobicContact CG1-CG 4.42Å; V360-R408 HydrophobicContact CG2-CG 4.15Å; V360-R408 PolarHBondContact N-O 3.19Å; V360-R408 VanDerWaalsContact N-O 3.09Å; E361-R408 PolarHBondContact N-O 2.84Å; E361-R408 IonicContact OE1-CZ 3.19Å; E361-R408 IonicContact OE1-NE 2.69Å; E361-R408 PolarHBondContact OE1-NE 3.23Å; E361-R408 IonicContact OE1-NH2 3.63Å; E361-R408 PolarHBondContact OE1-NH2 2.96Å; R408-A584 WeakPolarHBondContact CB-O 3.16Å; R408-A584 PolarHBondContact N-O 2.74Å; R408-D585 PolarHBondContact N-OD1 2.94Å
409R98.8Very high98.3Very high1 Ų125.8 Ų25.80%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-102.4158.6-179.4-56.9-175.6-178.879.111.2111G358 E361 R364 P407 L583 A584 S586 L587 L589 N660G358-R409 VanDerWaalsContact CA-C 3.43Å; G358-R409 WeakPolarHBondContact CA-O 3.24Å; E361-R409 HydrophobicContact CB-CG 4.11Å; E361-R409 WeakPolarHBondContact O-CA 3.28Å; E361-R409 IonicContact OE1-NH2 2.85Å; R364-R409 HydrophobicContact CB-CB 4.18Å; R364-R409 HydrophobicContact CB-CG 3.95Å; P407-R409 VanDerWaalsContact CB-O 3.25Å; P407-R409 WeakPolarHBondContact CB-O 3.47Å; P407-R409 VanDerWaalsContact CG-O 3.31Å; P407-R409 WeakPolarHBondContact CG-O 3.28Å; R409-L583 PolarHBondContact NH1-O 2.79Å; R409-A584 WeakPolarHBondContact CB-O 3.42Å; R409-A584 PolarHBondContact N-O 3.34Å; R409-S586 PolarHBondContact NH1-O 2.72Å; R409-S586 PolarHBondContact NH2-O 2.82Å; R409-L587 PolarHBondContact NH2-O 3.45Å; R409-L589 VanDerWaalsContact CZ-CD2 3.43Å; R409-N660 PolarHBondContact NH2-ND2 3.14Å
410S98.9Very high98.3Very high5 Ų526.3 Ų26.34%0.03514%0.135CC..EExtended strand (participates in β ladder)trans-72.8137.3175.3-650000110.5I356 G358 P362 R364 Y365 V366I356-S410 CarbonylContact O-C 3.52Å; I356-S410 WeakPolarHBondContact O-CA 3.18Å; G358-S410 PolarHBondContact N-OG 3.45Å; P362-S410 VanDerWaalsContact CA-OG 3.3Å; P362-S410 WeakPolarHBondContact CA-OG 3.49Å; P362-S410 PolarHBondContact O-OG 3.01Å; R364-S410 PolarHBondContact O-N 2.9Å; Y365-S410 WeakPolarHBondContact CA-O 3.39Å; V366-S410 PolarHBondContact N-O 2.81Å
411I98.9Very high98.3Very high0 Ų025.6 Ų25.60%013%0.13CC..EExtended strand (participates in β ladder)trans-103.3128.6171.2-58.3172.7000108.3V355 I356 V366 W405 P407 F413 L580 A584V355-I411 CarbonylContact C-O 3.56Å; V355-I411 VanDerWaalsContact CA-O 3.31Å; V355-I411 WeakPolarHBondContact CA-O 3.49Å; V355-I411 WeakPolarHBondContact CG2-O 3.39Å; I356-I411 HydrophobicContact CB-CB 4.39Å; I356-I411 PolarHBondContact N-O 3.4Å; I356-I411 PolarHBondContact O-N 3.5Å; V366-I411 CarbonylContact O-C 3.48Å; V366-I411 WeakPolarHBondContact O-CA 3.31Å; W405-I411 HydrophobicContact CH2-CD1 3.68Å; W405-I411 HydrophobicContact CZ2-CD1 4.33Å; P407-I411 HydrophobicContact CB-CD1 4.16Å; P407-I411 HydrophobicContact CB-CG1 4.4Å; P407-I411 HydrophobicContact CG-CD1 4.08Å; P407-I411 HydrophobicContact CG-CG1 4.23Å; I411-F413 HydrophobicContact CB-CE2 4.29Å; I411-F413 HydrophobicContact CG2-CD2 4.02Å; I411-F413 HydrophobicContact CG2-CE1 4.2Å; I411-F413 HydrophobicContact CG2-CE2 3.43Å; I411-F413 VanDerWaalsContact CG2-CE2 3.43Å; I411-F413 HydrophobicContact CG2-CZ 3.53Å; I411-L580 HydrophobicContact CD1-CD1 4.31Å; I411-L580 HydrophobicContact CD1-CG 4.26Å; I411-L580 HydrophobicContact CG1-CD1 4.35Å; I411-L580 HydrophobicContact CG2-CD1 3.82Å; I411-L580 HydrophobicContact CG2-CD2 4.26Å; I411-L580 HydrophobicContact CG2-CG 4.44Å; I411-A584 HydrophobicContact CD1-CB 3.67Å; I411-A584 HydrophobicContact CG1-CB 3.6Å
412I98.9Very high98.2Very high10 Ų1021.9 Ų21.95%0.05112%0.117CC..EExtended strand (participates in β ladder)trans-112.3128.6173.9-58.8174.1000108.1M353 G354 V355 Y365 V366 I367 Y368M353-I412 HydrophobicContact CE-CG2 3.8Å; G354-I412 CarbonylContact O-C 3.48Å; G354-I412 WeakPolarHBondContact O-CA 3.14Å; V355-I412 HydrophobicContact CG2-CG1 4.39Å; Y365-I412 HydrophobicContact CD1-CD1 3.92Å; Y365-I412 HydrophobicContact CD2-CD1 4.1Å; Y365-I412 HydrophobicContact CG-CD1 3.71Å; V366-I412 PolarHBondContact O-N 2.78Å; I367-I412 CarbonylContact C-O 3.45Å; I367-I412 VanDerWaalsContact CA-O 3.28Å; I367-I412 WeakPolarHBondContact CA-O 3.39Å; I367-I412 HydrophobicContact CG1-CB 4.2Å; Y368-I412 PolarHBondContact N-O 2.9Å
413F98.9Very high98.3Very high0 Ų017.4 Ų17.40%010%0.097CC..EExtended strand (participates in β ladder)trans-102.8132.6171.1-63.2-85.6000109.3W90 L97 M353 G354 I356 Y368 M389 I392 T393 L396 I411 L580W90-F413 HydrophobicContact CH2-CB 3.58Å; W90-F413 HydrophobicContact CZ2-CB 3.72Å; W90-F413 HydrophobicContact CZ2-CG 4.49Å; W90-F413 HydrophobicContact CZ3-CB 4.19Å; L97-F413 HydrophobicContact CD1-CD2 3.84Å; L97-F413 HydrophobicContact CD2-CD2 4.22Å; L97-F413 HydrophobicContact CD2-CE2 4.08Å; M353-F413 WeakPolarHBondContact CA-O 3.45Å; G354-F413 PolarHBondContact N-O 2.94Å; G354-F413 PolarHBondContact O-N 2.61Å; I356-F413 HydrophobicContact CD1-CE2 4.09Å; I356-F413 HydrophobicContact CG1-CE2 4.32Å; Y368-F413 AromaticContact CD1-CD1 3.87Å; Y368-F413 HydrophobicContact CD1-CD1 3.87Å; Y368-F413 HydrophobicContact CD1-CE1 4.24Å; Y368-F413 HydrophobicContact CG-CD1 4.08Å; Y368-F413 HydrophobicContact CG-CE1 4.12Å; Y368-F413 CarbonylContact O-C 3.56Å; Y368-F413 VanDerWaalsContact O-CA 3.29Å; Y368-F413 WeakPolarHBondContact O-CA 3.43Å; M389-F413 HydrophobicContact CG-CD1 4.3Å; I392-F413 HydrophobicContact CG2-CE1 4.34Å; T393-F413 HydrophobicContact CG2-CB 4.43Å; T393-F413 HydrophobicContact CG2-CD1 3.39Å; T393-F413 HydrophobicContact CG2-CD2 3.78Å; T393-F413 HydrophobicContact CG2-CE1 3.4Å; T393-F413 HydrophobicContact CG2-CE2 3.77Å; T393-F413 HydrophobicContact CG2-CG 3.59Å; T393-F413 HydrophobicContact CG2-CZ 3.59Å; L396-F413 HydrophobicContact CD1-CZ 4.29Å; I411-F413 HydrophobicContact CB-CE2 4.29Å; I411-F413 HydrophobicContact CG2-CD2 4.02Å; I411-F413 HydrophobicContact CG2-CE1 4.2Å; I411-F413 HydrophobicContact CG2-CE2 3.43Å; I411-F413 VanDerWaalsContact CG2-CE2 3.43Å; I411-F413 HydrophobicContact CG2-CZ 3.53Å; F413-L580 HydrophobicContact CE1-CD2 3.8Å; F413-L580 HydrophobicContact CZ-CD2 3.85Å
414G98.9Very high98.4Very high0 Ų014.2 Ų14.20%06%0.063CC..EExtended strand (participates in β ladder)trans-122.2114176.500000111.1Y368 G369 N370Y368-G414 PolarHBondContact O-N 3.34Å; G369-G414 VanDerWaalsContact CA-O 3.3Å; G369-G414 WeakPolarHBondContact CA-O 3.2Å; N370-G414 PolarHBondContact N-O 2.92Å; N370-G414 VanDerWaalsContact N-O 3.1Å
415S98.9Very high98.5Very high0 Ų08.8 Ų8.80%04%0.04CC..EExtended strand (participates in β ladder)trans-94.198.6165.2-179.30000107.8N351 V352 N370 R372N351-S415 CarbonylContact C-O 3.59Å; N351-S415 VanDerWaalsContact CA-O 3.26Å; N351-S415 WeakPolarHBondContact CA-O 3.37Å; V352-S415 PolarHBondContact N-O 3.34Å; V352-S415 PolarHBondContact O-N 2.92Å; N370-S415 CarbonylContact O-C 3.41Å; N370-S415 VanDerWaalsContact O-CA 3.29Å; N370-S415 WeakPolarHBondContact O-CA 3.35Å; R372-S415 WeakPolarHBondContact CB-OG 3.27Å; R372-S415 PolarHBondContact NH1-O 2.84Å; R372-S415 VanDerWaalsContact NH1-O 3.12Å; R372-S415 PolarHBondContact NH1-OG 3.36Å
416W98.9Very high98.6Very high0 Ų07.9 Ų7.90%04%0.036CC..EExtended strand (participates in β ladder)trans-78143.7-171.6-46.3121.2000111.2N351 M353 I367 N370 H371 R372 Y429 Y444 D516 F520N351-W416 HydrophobicContact CB-CE3 4.3Å; N351-W416 WeakPolarHBondContact OD1-CA 3.37Å; M353-W416 HydrophobicContact CE-CH2 3.87Å; M353-W416 HydrophobicContact CE-CZ3 3.88Å; M353-W416 HydrophobicContact SD-CE3 4.42Å; M353-W416 HydrophobicContact SD-CH2 4.25Å; M353-W416 HydrophobicContact SD-CZ3 3.65Å; I367-W416 HydrophobicContact CG2-CZ2 4.37Å; N370-W416 PolarHBondContact O-N 3.18Å; H371-W416 CarbonylContact C-O 3.59Å; H371-W416 VanDerWaalsContact CA-O 3.31Å; H371-W416 WeakPolarHBondContact CA-O 3.26Å; H371-W416 HydrophobicContact CB-CB 4.07Å; R372-W416 PolarHBondContact N-O 3.42Å; W416-Y429 AromaticContact CH2-CD1 3.62Å; W416-Y429 HydrophobicContact CH2-CD1 3.62Å; W416-Y429 AromaticContact CH2-CE1 3.96Å; W416-Y429 HydrophobicContact CH2-CE1 3.96Å; W416-Y429 HydrophobicContact CH2-CG 4.07Å; W416-Y429 AromaticContact CZ3-CD1 3.84Å; W416-Y429 HydrophobicContact CZ3-CD1 3.84Å; W416-Y429 HydrophobicContact CZ3-CD2 4.34Å; W416-Y429 HydrophobicContact CZ3-CE1 4.45Å; W416-Y429 AromaticContact CZ3-CG 3.78Å; W416-Y429 HydrophobicContact CZ3-CG 3.78Å; W416-Y444 HydrophobicContact CZ2-CE2 4.04Å; W416-Y444 AromaticContact NE1-CZ 3.89Å; W416-Y444 PolarHBondContact NE1-OH 2.98Å; W416-D516 HydrophobicContact CG-CB 4.44Å; W416-F520 HydrophobicContact CH2-CZ 4.05Å; W416-F520 HydrophobicContact CZ2-CE2 4.08Å; W416-F520 AromaticContact CZ2-CZ 3.74Å; W416-F520 HydrophobicContact CZ2-CZ 3.74Å
417G98.8Very high98.6Very high0 Ų03.5 Ų3.50%02%0.02CC..SBendtrans-112.1153.1173.400000111.9N351 E419 G425N351-G417 PolarHBondContact OD1-N 3.14Å; G417-E419 VanDerWaalsContact C-N 3.31Å; G417-E419 PolarHBondContact O-N 3.48Å; G417-G425 WeakPolarHBondContact O-CA 3.44Å; G417-G425 PolarHBondContact O-N 2.85Å
418A98.7Very high98.7Very high0 Ų03.5 Ų3.50%02%0.02CC..SBendtrans58.835.4-178.600000114.3A74 L109 D373 E420 F421 I424A74-A418 HydrophobicContact CB-CB 3.9Å; L109-A418 HydrophobicContact CD1-CB 4.43Å; L109-A418 HydrophobicContact CD2-CB 4.17Å; D373-A418 PolarHBondContact OD1-N 3.02Å; D373-A418 WeakPolarHBondContact OD2-CA 3.43Å; D373-A418 PolarHBondContact OD2-N 2.8Å; A418-E420 VanDerWaalsContact C-N 3.35Å; A418-F421 HydrophobicContact CB-CB 4.45Å; A418-I424 HydrophobicContact CB-CB 3.97Å; A418-I424 HydrophobicContact CB-CD1 4.35Å; A418-I424 HydrophobicContact CB-CG2 4.5Å; A418-I424 WeakPolarHBondContact O-CB 3.4Å; A418-I424 PolarHBondContact O-N 3.3Å
419E98.8Very high98.7Very high17 Ų173.3 Ų3.38%0.0792%0.019CC..  trans-66.2-41.1171-171.7-75.7164.200110.9H371 D373 G417 F421 G422 L423H371-E419 HydrophobicContact CB-CB 3.23Å; H371-E419 HydrophobicContact CB-CG 3.74Å; H371-E419 IonicContact CD2-OE2 3.85Å; H371-E419 IonicContact CE1-OE2 3.61Å; H371-E419 PolarHBondContact CE1-OE2 3.01Å; H371-E419 IonicContact ND1-OE2 3.99Å; H371-E419 IonicContact NE2-OE2 2.74Å; D373-E419 PolarHBondContact OD1-N 3.32Å; D373-E419 PolarHBondContact OD2-N 2.89Å; G417-E419 VanDerWaalsContact C-N 3.31Å; G417-E419 PolarHBondContact O-N 3.48Å; E419-F421 PolarHBondContact O-N 2.97Å; E419-G422 CarbonylContact O-C 3.3Å; E419-G422 PolarHBondContact O-N 2.91Å; E419-L423 HydrophobicContact CG-CD2 3.67Å; E419-L423 PolarHBondContact O-N 3.32Å; E419-L423 WeakPolarHBondContact OE1-CD2 3.25Å
420E98.7Very high98.7Very high11 Ų113.3 Ų3.35%0.0512%0.02CC..THydrogen-bonded Turntrans-63.6-20.9-174.8-73-81.6-137.600112.1A251 D373 W375 A418 H549A251-E420 VanDerWaalsContact CB-O 3.26Å; A251-E420 WeakPolarHBondContact CB-O 3.31Å; D373-E420 WeakPolarHBondContact OD2-CB 3.15Å; D373-E420 PolarHBondContact OD2-N 3.13Å; D373-E420 VanDerWaalsContact OD2-N 3.09Å; W375-E420 HydrophobicContact CZ2-CB 4.04Å; W375-E420 VanDerWaalsContact CZ2-O 3.27Å; W375-E420 WeakPolarHBondContact CZ2-O 3.43Å; W375-E420 PolarHBondContact N-OE1 3.2Å; W375-E420 PolarHBondContact NE1-OE1 3.38Å; W375-E420 PolarHBondContact NE1-OE2 3.36Å; A418-E420 VanDerWaalsContact C-N 3.35Å; E420-H549 IonicContact OE1-CD2 3.04Å; E420-H549 IonicContact OE1-CE1 2.71Å; E420-H549 IonicContact OE1-NE2 3.7Å; E420-H549 PolarHBondContact OE1-NE2 3.4Å; E420-H549 IonicContact OE2-CE1 3.06Å; E420-H549 PolarHBondContact OE2-CE1 2.62Å; E420-H549 IonicContact OE2-ND1 2.72Å; E420-H549 IonicContact OE2-NE2 3.79Å; E420-H549 PolarHBondContact OE2-NE2 3.14Å; E420-H549 VanDerWaalsContact OE2-NE2 3.1Å
421F98.6Very high98.7Very high0 Ų03.9 Ų3.90%02%0.022CC..THydrogen-bonded Turntrans-91.44.9177.6-76.3-83.8000114.1M73 A74 L109 S110 F111 A155 Y156 W375 A418 E419 I424M73-F421 HydrophobicContact CG-CE2 3.93Å; M73-F421 HydrophobicContact CG-CZ 4.2Å; M73-F421 HydrophobicContact SD-CE2 4.45Å; M73-F421 HydrophobicContact SD-CZ 4.12Å; A74-F421 HydrophobicContact CB-CD2 3.69Å; A74-F421 HydrophobicContact CB-CE2 3.75Å; L109-F421 HydrophobicContact CB-CD1 4.11Å; L109-F421 HydrophobicContact CB-CE1 4.27Å; L109-F421 HydrophobicContact CD1-CD2 4.28Å; L109-F421 HydrophobicContact CD1-CE2 4.49Å; L109-F421 HydrophobicContact CD1-CG 4.39Å; L109-F421 HydrophobicContact CD2-CB 3.67Å; L109-F421 HydrophobicContact CD2-CD1 4.11Å; L109-F421 HydrophobicContact CD2-CD2 4.39Å; L109-F421 HydrophobicContact CD2-CG 3.79Å; L109-F421 HydrophobicContact CG-CG 4.46Å; S110-F421 WeakPolarHBondContact O-CE1 3.17Å; F111-F421 HydrophobicContact CD1-CZ 4.35Å; F111-F421 AromaticContact CE1-CZ 3.91Å; F111-F421 HydrophobicContact CE1-CZ 3.91Å; A155-F421 HydrophobicContact CB-CD1 4.24Å; A155-F421 HydrophobicContact CB-CE1 3.92Å; Y156-F421 HydrophobicContact CE2-CD1 4.44Å; Y156-F421 VanDerWaalsContact CE2-O 3.29Å; Y156-F421 WeakPolarHBondContact CE2-O 3.45Å; Y156-F421 PolarHBondContact OH-O 2.82Å; W375-F421 HydrophobicContact CH2-CD1 4.33Å; W375-F421 AromaticContact CH2-CE1 3.85Å; W375-F421 HydrophobicContact CH2-CE1 3.85Å; W375-F421 HydrophobicContact CH2-CE2 4.16Å; W375-F421 AromaticContact CH2-CZ 3.77Å; W375-F421 HydrophobicContact CH2-CZ 3.77Å; W375-F421 HydrophobicContact CZ3-CE1 4.17Å; W375-F421 HydrophobicContact CZ3-CE2 4.19Å; W375-F421 AromaticContact CZ3-CZ 3.72Å; W375-F421 HydrophobicContact CZ3-CZ 3.72Å; A418-F421 HydrophobicContact CB-CB 4.45Å; E419-F421 PolarHBondContact O-N 2.97Å; F421-I424 HydrophobicContact CB-CD1 3.74Å
422G96.8Very high98.6Very high11 Ų117 Ų711%0.1134%0.036CC..THydrogen-bonded Turntrans119.146.9176.700000114F256 G257 E419 I424F256-G422 CarbonylContact C-O 3.59Å; F256-G422 WeakPolarHBondContact CA-O 3.26Å; F256-G422 WeakPolarHBondContact CB-O 3.29Å; G257-G422 PolarHBondContact N-O 3.22Å; E419-G422 CarbonylContact O-C 3.3Å; E419-G422 PolarHBondContact O-N 2.91Å; G422-I424 PolarHBondContact O-N 3.41Å; G422-I424 VanDerWaalsContact O-N 3.16Å
423L98.5Very high98.6Very high6 Ų69.3 Ų9.33%0.0315%0.045CC..SBendtrans57.429.6176.3-35.7-178000113.6F256 E419 S426 A427 A513 S515 A518F256-L423 HydrophobicContact CB-CB 4Å; F256-L423 HydrophobicContact CB-CD1 3.75Å; F256-L423 HydrophobicContact CB-CG 3.88Å; F256-L423 HydrophobicContact CG-CD1 4.1Å; E419-L423 HydrophobicContact CG-CD2 3.67Å; E419-L423 PolarHBondContact O-N 3.32Å; E419-L423 WeakPolarHBondContact OE1-CD2 3.25Å; L423-S426 PolarHBondContact O-OG 3.46Å; L423-S426 VanDerWaalsContact O-OG 3.14Å; L423-A427 WeakPolarHBondContact O-CB 3Å; L423-A427 PolarHBondContact O-N 3.42Å; L423-A513 HydrophobicContact CD1-CB 3.97Å; L423-S515 WeakPolarHBondContact CD1-O 3.3Å; L423-A518 HydrophobicContact CD1-CB 3.33Å
424I98.7Very high98.6Very high0 Ų012.4 Ų12.40%06%0.058CC..Hα-helixtrans-63.6-55.5-164-63.6176.7000110.1V107 L109 D258 A418 F421 G422 S426 A427 E428V107-I424 HydrophobicContact CB-CG2 3.78Å; V107-I424 HydrophobicContact CG1-CG2 3.4Å; V107-I424 HydrophobicContact CG2-CG2 4.21Å; L109-I424 HydrophobicContact CD2-CD1 3.37Å; D258-I424 HydrophobicContact CB-CG2 4.32Å; A418-I424 HydrophobicContact CB-CB 3.97Å; A418-I424 HydrophobicContact CB-CD1 4.35Å; A418-I424 HydrophobicContact CB-CG2 4.5Å; A418-I424 WeakPolarHBondContact O-CB 3.4Å; A418-I424 PolarHBondContact O-N 3.3Å; F421-I424 HydrophobicContact CB-CD1 3.74Å; G422-I424 PolarHBondContact O-N 3.41Å; G422-I424 VanDerWaalsContact O-N 3.16Å; I424-S426 VanDerWaalsContact C-N 3.33Å; I424-S426 PolarHBondContact O-N 2.99Å; I424-A427 PolarHBondContact O-N 3.48Å; I424-A427 VanDerWaalsContact O-N 3.13Å; I424-E428 HydrophobicContact CG2-CG 3.84Å; I424-E428 VanDerWaalsContact O-CG 3.25Å; I424-E428 WeakPolarHBondContact O-CG 3.5Å; I424-E428 PolarHBondContact O-N 3.1Å
425G98.8Very high98.5Very high1 Ų116.5 Ų16.51%0.018%0.083CC..Hα-helixtrans-58.2-40.6-174.300000114.4N351 G417 Y429N351-G425 PolarHBondContact ND2-O 2.9Å; N351-G425 WeakPolarHBondContact OD1-CA 3.15Å; G417-G425 WeakPolarHBondContact O-CA 3.44Å; G417-G425 PolarHBondContact O-N 2.85Å; G425-Y429 WeakPolarHBondContact O-CB 3.08Å; G425-Y429 PolarHBondContact O-N 2.86Å
426S98.8Very high98.5Very high0 Ų020.3 Ų20.30%010%0.1CC..Hα-helixtrans-71.7-42.2176.655.70000111.8L423 I424 Y429 T430 D516L423-S426 PolarHBondContact O-OG 3.46Å; L423-S426 VanDerWaalsContact O-OG 3.14Å; I424-S426 VanDerWaalsContact C-N 3.33Å; I424-S426 PolarHBondContact O-N 2.99Å; S426-Y429 WeakPolarHBondContact O-CB 3.35Å; S426-Y429 PolarHBondContact O-N 2.9Å; S426-T430 WeakPolarHBondContact O-CG2 3.4Å; S426-T430 PolarHBondContact O-N 2.69Å; S426-D516 WeakPolarHBondContact CB-OD1 3.37Å; S426-D516 WeakPolarHBondContact OG-CB 3.36Å; S426-D516 PolarHBondContact OG-OD1 3.27Å
427A98.6Very high98.4Very high1 Ų120.3 Ų20.31%0.00810%0.1CC..Hα-helixtrans-59.1-51.7175.400000111.9F256 L423 I424 Y429 T430 E431 A519F256-A427 HydrophobicContact CD2-CB 3.99Å; F256-A427 HydrophobicContact CE2-CB 4.41Å; L423-A427 WeakPolarHBondContact O-CB 3Å; L423-A427 PolarHBondContact O-N 3.42Å; I424-A427 PolarHBondContact O-N 3.48Å; I424-A427 VanDerWaalsContact O-N 3.13Å; A427-Y429 PolarHBondContact O-N 2.88Å; A427-T430 WeakPolarHBondContact O-CA 3.3Å; A427-T430 PolarHBondContact O-N 2.97Å; A427-T430 PolarHBondContact O-OG1 2.93Å; A427-E431 WeakPolarHBondContact O-CG 3.41Å; A427-E431 PolarHBondContact O-N 3.01Å; A427-A519 HydrophobicContact CB-CB 4.32Å
428E98.7Very high98.3Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-58.5-35.7178.8-61.1-45.3122.400112Y105 V107 D258 A265 A266 I424 E431 E432Y105-E428 HydrophobicContact CD1-CB 3.53Å; Y105-E428 HydrophobicContact CD1-CG 4.14Å; Y105-E428 HydrophobicContact CD2-CB 3.89Å; Y105-E428 HydrophobicContact CD2-CG 4.42Å; Y105-E428 HydrophobicContact CE1-CB 3.6Å; Y105-E428 HydrophobicContact CE2-CB 3.96Å; Y105-E428 HydrophobicContact CG-CB 3.67Å; Y105-E428 HydrophobicContact CG-CG 4Å; V107-E428 HydrophobicContact CG1-CG 4.18Å; D258-E428 WeakPolarHBondContact CB-OE1 2.98Å; D258-E428 PolarHBondContact N-OE1 3.37Å; A265-E428 WeakPolarHBondContact CA-OE2 3.44Å; A266-E428 HydrophobicContact CB-CG 4.42Å; A266-E428 VanDerWaalsContact CB-OE2 3.24Å; A266-E428 WeakPolarHBondContact CB-OE2 3.46Å; A266-E428 PolarHBondContact N-OE2 2.91Å; I424-E428 HydrophobicContact CG2-CG 3.84Å; I424-E428 VanDerWaalsContact O-CG 3.25Å; I424-E428 WeakPolarHBondContact O-CG 3.5Å; I424-E428 PolarHBondContact O-N 3.1Å; E428-E431 PolarHBondContact O-N 2.93Å; E428-E432 WeakPolarHBondContact O-CB 3.42Å; E428-E432 PolarHBondContact O-N 3.34Å
429Y98.8Very high98.3Very high6 Ų626.7 Ų26.72%0.02413%0.133CC..Hα-helixtrans-66.9-40.1174.2-178.2-100.6000112.5Y105 M353 W416 G425 S426 A427 E431 Y433 L437 F520Y105-Y429 WeakPolarHBondContact OH-CA 3.46Å; Y105-Y429 PolarHBondContact OH-N 3.17Å; M353-Y429 HydrophobicContact CE-CD2 4.19Å; M353-Y429 HydrophobicContact CE-CE1 4.2Å; M353-Y429 HydrophobicContact CE-CE2 3.61Å; M353-Y429 HydrophobicContact SD-CD2 4.26Å; M353-Y429 HydrophobicContact SD-CE2 4.15Å; W416-Y429 AromaticContact CH2-CD1 3.62Å; W416-Y429 HydrophobicContact CH2-CD1 3.62Å; W416-Y429 AromaticContact CH2-CE1 3.96Å; W416-Y429 HydrophobicContact CH2-CE1 3.96Å; W416-Y429 HydrophobicContact CH2-CG 4.07Å; W416-Y429 AromaticContact CZ3-CD1 3.84Å; W416-Y429 HydrophobicContact CZ3-CD1 3.84Å; W416-Y429 HydrophobicContact CZ3-CD2 4.34Å; W416-Y429 HydrophobicContact CZ3-CE1 4.45Å; W416-Y429 AromaticContact CZ3-CG 3.78Å; W416-Y429 HydrophobicContact CZ3-CG 3.78Å; G425-Y429 WeakPolarHBondContact O-CB 3.08Å; G425-Y429 PolarHBondContact O-N 2.86Å; S426-Y429 WeakPolarHBondContact O-CB 3.35Å; S426-Y429 PolarHBondContact O-N 2.9Å; A427-Y429 PolarHBondContact O-N 2.88Å; Y429-E431 VanDerWaalsContact C-N 3.32Å; Y429-Y433 AromaticContact CD2-CD2 3.53Å; Y429-Y433 HydrophobicContact CD2-CD2 3.53Å; Y429-Y433 AromaticContact CD2-CE2 3.67Å; Y429-Y433 HydrophobicContact CD2-CE2 3.67Å; Y429-Y433 AromaticContact CE2-CD2 3.38Å; Y429-Y433 HydrophobicContact CE2-CD2 3.38Å; Y429-Y433 AromaticContact CE2-CE2 3.49Å; Y429-Y433 HydrophobicContact CE2-CE2 3.49Å; Y429-Y433 VanDerWaalsContact CE2-CE2 3.49Å; Y429-Y433 HydrophobicContact CE2-CG 4.43Å; Y429-Y433 HydrophobicContact CG-CD2 4.24Å; Y429-Y433 AromaticContact CZ-CD2 3.98Å; Y429-Y433 WeakPolarHBondContact O-CD2 3.29Å; Y429-Y433 PolarHBondContact O-N 2.87Å; Y429-Y433 VanDerWaalsContact O-N 3.16Å; Y429-L437 HydrophobicContact CD1-CD1 3.84Å; Y429-L437 HydrophobicContact CE1-CD1 3.59Å; Y429-L437 HydrophobicContact CE1-CD2 4.04Å; Y429-L437 HydrophobicContact CE1-CG 4.42Å; Y429-F520 HydrophobicContact CD1-CZ 4.33Å
430T98.8Very high98.3Very high1 Ų130.1 Ų30.11%0.00615%0.145CC..Hα-helixtrans-67.9-31.9175.165.90000113.1S426 A427 F434 A519 F520 L524S426-T430 WeakPolarHBondContact O-CG2 3.4Å; S426-T430 PolarHBondContact O-N 2.69Å; A427-T430 WeakPolarHBondContact O-CA 3.3Å; A427-T430 PolarHBondContact O-N 2.97Å; A427-T430 PolarHBondContact O-OG1 2.93Å; T430-F434 WeakPolarHBondContact O-CA 3.46Å; T430-F434 WeakPolarHBondContact O-CB 3.48Å; T430-F434 PolarHBondContact O-N 3.36Å; T430-A519 HydrophobicContact CG2-CB 3.75Å; T430-A519 WeakPolarHBondContact OG1-CB 3.45Å; T430-F520 HydrophobicContact CG2-CD1 4.06Å; T430-F520 HydrophobicContact CG2-CD2 4.36Å; T430-F520 HydrophobicContact CG2-CE1 3.9Å; T430-F520 HydrophobicContact CG2-CE2 4.21Å; T430-F520 HydrophobicContact CG2-CG 4.29Å; T430-F520 HydrophobicContact CG2-CZ 3.97Å; T430-L524 HydrophobicContact CG2-CD1 3.66Å; T430-L524 HydrophobicContact CG2-CG 4.29Å
431E98.5Very high98.3Very high17 Ų1729.6 Ų29.68%0.07914%0.143CC..Hα-helixtrans-73.8-45.4175.9-65.9174.6133.300112Y263 L264 A265 A427 E428 Y429 Y433 F434 Y523 Y680Y263-E431 VanDerWaalsContact C-OE1 3.27Å; Y263-E431 WeakPolarHBondContact CA-OE1 3.2Å; Y263-E431 PolarHBondContact N-OE1 3.23Å; L264-E431 PolarHBondContact N-OE1 2.78Å; L264-E431 VanDerWaalsContact N-OE1 3.15Å; A265-E431 HydrophobicContact CB-CB 4.25Å; A427-E431 WeakPolarHBondContact O-CG 3.41Å; A427-E431 PolarHBondContact O-N 3.01Å; E428-E431 PolarHBondContact O-N 2.93Å; Y429-E431 VanDerWaalsContact C-N 3.32Å; E431-Y433 PolarHBondContact O-N 3.25Å; E431-F434 PolarHBondContact O-N 3.39Å; E431-Y523 HydrophobicContact CG-CE1 3.97Å; E431-Y680 PolarHBondContact OE1-OH 2.91Å
432E98.5Very high98.3Very high65 Ų6529.6 Ų29.630%0.30414%0.143SC..Hα-helixtrans-60.1-39.8179.6-177.3170.6-167.800111Q103 Y105 A265 K267 E428Q103-E432 PolarHBondContact NE2-OE1 2.96Å; Q103-E432 PolarHBondContact NE2-OE2 3.3Å; Y105-E432 HydrophobicContact CE1-CB 4.43Å; Y105-E432 WeakPolarHBondContact CE1-OE2 3.39Å; Y105-E432 PolarHBondContact OH-OE2 3.4Å; A265-E432 HydrophobicContact CB-CB 3.66Å; A265-E432 HydrophobicContact CB-CG 4.45Å; K267-E432 WeakPolarHBondContact CE-OE1 3.42Å; K267-E432 WeakPolarHBondContact CE-OE2 3.36Å; K267-E432 VanDerWaalsContact NZ-CD 3.26Å; K267-E432 IonicContact NZ-OE1 3.61Å; K267-E432 PolarHBondContact NZ-OE1 3.42Å; K267-E432 IonicContact NZ-OE2 2.74Å; K267-E432 PolarHBondContact NZ-OE2 2.9Å; E428-E432 WeakPolarHBondContact O-CB 3.42Å; E428-E432 PolarHBondContact O-N 3.34Å
433Y98.6Very high98.4Very high59 Ų5929.1 Ų29.123%0.23114%0.137CC..THydrogen-bonded Turntrans-112.323.6-174.1-60.8-72.2000113.7Y429 E431 T435 K436 L437Y429-Y433 AromaticContact CD2-CD2 3.53Å; Y429-Y433 HydrophobicContact CD2-CD2 3.53Å; Y429-Y433 AromaticContact CD2-CE2 3.67Å; Y429-Y433 HydrophobicContact CD2-CE2 3.67Å; Y429-Y433 AromaticContact CE2-CD2 3.38Å; Y429-Y433 HydrophobicContact CE2-CD2 3.38Å; Y429-Y433 AromaticContact CE2-CE2 3.49Å; Y429-Y433 HydrophobicContact CE2-CE2 3.49Å; Y429-Y433 VanDerWaalsContact CE2-CE2 3.49Å; Y429-Y433 HydrophobicContact CE2-CG 4.43Å; Y429-Y433 HydrophobicContact CG-CD2 4.24Å; Y429-Y433 AromaticContact CZ-CD2 3.98Å; Y429-Y433 WeakPolarHBondContact O-CD2 3.29Å; Y429-Y433 PolarHBondContact O-N 2.87Å; Y429-Y433 VanDerWaalsContact O-N 3.16Å; E431-Y433 PolarHBondContact O-N 3.25Å; Y433-T435 PolarHBondContact O-N 2.81Å; Y433-K436 HydrophobicContact CD1-CD 4.23Å; Y433-K436 PolarHBondContact O-N 3Å; Y433-L437 WeakPolarHBondContact O-CG 3.37Å; Y433-L437 PolarHBondContact O-N 3.49Å
434F98.2Very high98.4Very high65 Ų6528.8 Ų28.829%0.28514%0.136SC..Hα-helixtrans-41.9-61.5-173.4-177.7-88.5000113.5T430 E431 K436 L437 S438 Y523 L524T430-F434 WeakPolarHBondContact O-CA 3.46Å; T430-F434 WeakPolarHBondContact O-CB 3.48Å; T430-F434 PolarHBondContact O-N 3.36Å; E431-F434 PolarHBondContact O-N 3.39Å; F434-K436 PolarHBondContact O-N 2.95Å; F434-L437 PolarHBondContact O-N 3.29Å; F434-S438 WeakPolarHBondContact O-CB 2.98Å; F434-S438 PolarHBondContact O-N 2.89Å; F434-Y523 HydrophobicContact CD2-CD1 4.07Å; F434-Y523 AromaticContact CD2-CE1 3.37Å; F434-Y523 HydrophobicContact CD2-CE1 3.37Å; F434-Y523 HydrophobicContact CD2-CE2 4.38Å; F434-Y523 AromaticContact CD2-CZ 3.53Å; F434-Y523 HydrophobicContact CE2-CD1 4.19Å; F434-Y523 HydrophobicContact CE2-CD2 4.45Å; F434-Y523 AromaticContact CE2-CE1 3.76Å; F434-Y523 HydrophobicContact CE2-CE1 3.76Å; F434-Y523 HydrophobicContact CE2-CE2 4.05Å; F434-Y523 AromaticContact CE2-CZ 3.65Å; F434-L524 HydrophobicContact CB-CD2 4.49Å; F434-L524 HydrophobicContact CD2-CD2 3.2Å; F434-L524 HydrophobicContact CE2-CD2 3.41Å; F434-L524 VanDerWaalsContact CE2-CD2 3.41Å; F434-L524 HydrophobicContact CG-CD2 3.96Å; F434-L524 HydrophobicContact CZ-CD2 4.28Å
435T96.4Very high98.4Very high86 Ų8628.8 Ų28.853%0.52814%0.136SC..Hα-helixtrans-61.4-46.3-177.9-52.30000111.5Y433 L437 S438 E439Y433-T435 PolarHBondContact O-N 2.81Å; T435-L437 PolarHBondContact O-N 3.33Å; T435-S438 PolarHBondContact O-N 2.77Å; T435-E439 VanDerWaalsContact CG2-OE1 3.29Å; T435-E439 WeakPolarHBondContact CG2-OE1 3.12Å; T435-E439 WeakPolarHBondContact O-CB 3.45Å; T435-E439 VanDerWaalsContact O-CG 3.32Å; T435-E439 WeakPolarHBondContact O-CG 3.16Å; T435-E439 PolarHBondContact O-N 3.08Å; T435-E439 VanDerWaalsContact O-N 3.14Å
436K98.4Very high98.4Very high80 Ų8028.8 Ų28.835%0.34814%0.135SC..Hα-helixtrans-62.5-43.9-177.2178.3-178.6175.2-169.70111.5Y365 Y433 F434 R440Y365-K436 HydrophobicContact CE2-CD 4.45Å; Y365-K436 HydrophobicContact CE2-CG 3.94Å; Y365-K436 WeakPolarHBondContact OH-CE 3.33Å; Y433-K436 HydrophobicContact CD1-CD 4.23Å; Y433-K436 PolarHBondContact O-N 3Å; F434-K436 PolarHBondContact O-N 2.95Å; K436-R440 WeakPolarHBondContact O-CB 3.31Å; K436-R440 WeakPolarHBondContact O-CG 3.42Å; K436-R440 PolarHBondContact O-N 3.23Å
437L98.7Very high98.4Very high0 Ų028.8 Ų28.80%014%0.135CC..Hα-helixtrans-75.7-42.2-178.6-63.1177.1000111.5Y365 I367 Y429 Y433 F434 T435 E439 R440 T441 L524 I526Y365-L437 HydrophobicContact CD2-CD2 4.41Å; I367-L437 HydrophobicContact CD1-CD2 3.87Å; Y429-L437 HydrophobicContact CD1-CD1 3.84Å; Y429-L437 HydrophobicContact CE1-CD1 3.59Å; Y429-L437 HydrophobicContact CE1-CD2 4.04Å; Y429-L437 HydrophobicContact CE1-CG 4.42Å; Y433-L437 WeakPolarHBondContact O-CG 3.37Å; Y433-L437 PolarHBondContact O-N 3.49Å; F434-L437 PolarHBondContact O-N 3.29Å; T435-L437 PolarHBondContact O-N 3.33Å; L437-E439 VanDerWaalsContact C-N 3.27Å; L437-E439 PolarHBondContact O-N 2.75Å; L437-R440 PolarHBondContact O-N 2.96Å; L437-T441 VanDerWaalsContact O-CB 3.24Å; L437-T441 WeakPolarHBondContact O-CB 3.2Å; L437-T441 PolarHBondContact O-N 3.18Å; L437-T441 PolarHBondContact O-OG1 3.03Å; L437-L524 HydrophobicContact CB-CD1 3.71Å; L437-L524 HydrophobicContact CD1-CD1 4Å; L437-I526 HydrophobicContact CB-CD1 4.35Å
438S96.6Very high98.4Very high27 Ų2729.2 Ų29.219%0.18914%0.138CC..Hα-helixtrans-57.1-41.4178.5-174.30000111.8F434 T435 R668F434-S438 WeakPolarHBondContact O-CB 2.98Å; F434-S438 PolarHBondContact O-N 2.89Å; T435-S438 PolarHBondContact O-N 2.77Å; S438-R668 PolarHBondContact O-NE 3.05Å; S438-R668 PolarHBondContact O-NH2 2.85Å
439E97.8Very high98.4Very high107 Ų10729.7 Ų29.750%0.514%0.14SC..Hα-helixtrans-84-19.9-176.2-68.3174.8-177.800114.9T435 L437 M664T435-E439 VanDerWaalsContact CG2-OE1 3.29Å; T435-E439 WeakPolarHBondContact CG2-OE1 3.12Å; T435-E439 WeakPolarHBondContact O-CB 3.45Å; T435-E439 VanDerWaalsContact O-CG 3.32Å; T435-E439 WeakPolarHBondContact O-CG 3.16Å; T435-E439 PolarHBondContact O-N 3.08Å; T435-E439 VanDerWaalsContact O-N 3.14Å; L437-E439 VanDerWaalsContact C-N 3.27Å; L437-E439 PolarHBondContact O-N 2.75Å; E439-M664 WeakPolarHBondContact O-CE 3.41Å
440R98.8Very high98.4Very high90 Ų9029.4 Ų29.434%0.3414%0.139SC..Hα-helixtrans-124.8-18.7-165.3-62.2-178.1-172.8-1780.4114.9D363 R364 Y365 K436 L437 V442D363-R440 WeakPolarHBondContact O-CB 3.19Å; D363-R440 WeakPolarHBondContact O-CD 3.3Å; D363-R440 WeakPolarHBondContact O-CG 3.39Å; R364-R440 CarbonylContact C-O 3.36Å; R364-R440 WeakPolarHBondContact CA-O 3.19Å; Y365-R440 HydrophobicContact CD2-CB 3.59Å; Y365-R440 HydrophobicContact CE2-CB 3.42Å; Y365-R440 VanDerWaalsContact CE2-CB 3.42Å; Y365-R440 HydrophobicContact CE2-CG 4.13Å; Y365-R440 HydrophobicContact CG-CB 4.37Å; Y365-R440 PolarHBondContact N-O 3.3Å; Y365-R440 WeakPolarHBondContact OH-CD 3.33Å; Y365-R440 PolarHBondContact OH-NH1 2.78Å; Y365-R440 VanDerWaalsContact OH-NH1 3.13Å; K436-R440 WeakPolarHBondContact O-CB 3.31Å; K436-R440 WeakPolarHBondContact O-CG 3.42Å; K436-R440 PolarHBondContact O-N 3.23Å; L437-R440 PolarHBondContact O-N 2.96Å; R440-V442 PolarHBondContact O-N 3.45Å
441T98.9Very high98.4Very high0 Ų029.4 Ų29.40%014%0.139CC..EExtended strand (participates in β ladder)trans-80.7118.1-175.8-56.60000111.1Y365 I367 L437 I526 M664 R668Y365-T441 CarbonylContact O-C 3.53Å; Y365-T441 WeakPolarHBondContact O-CA 3.24Å; I367-T441 HydrophobicContact CD1-CG2 3.74Å; I367-T441 HydrophobicContact CG1-CG2 3.89Å; L437-T441 VanDerWaalsContact O-CB 3.24Å; L437-T441 WeakPolarHBondContact O-CB 3.2Å; L437-T441 PolarHBondContact O-N 3.18Å; L437-T441 PolarHBondContact O-OG1 3.03Å; T441-I526 HydrophobicContact CG2-CD1 3.92Å; T441-I526 HydrophobicContact CG2-CG1 4.22Å; T441-I526 HydrophobicContact CG2-CG2 3.63Å; T441-M664 WeakPolarHBondContact O-CG 3.18Å; T441-R668 PolarHBondContact O-NH2 3.14Å
442V98.8Very high98.4Very high0 Ų029.2 Ų29.20%014%0.138CC..EExtended strand (participates in β ladder)trans-66.7-50174171.20000110.8R364 Y365 V366 R440 L589 F591 M664R364-V442 HydrophobicContact CB-CG2 4.01Å; Y365-V442 WeakPolarHBondContact O-CB 3.46Å; Y365-V442 PolarHBondContact O-N 3.03Å; V366-V442 HydrophobicContact CG2-CB 4.15Å; V366-V442 HydrophobicContact CG2-CG1 4.33Å; R440-V442 PolarHBondContact O-N 3.45Å; V442-L589 HydrophobicContact CB-CD2 4.39Å; V442-L589 HydrophobicContact CG1-CD1 3.92Å; V442-L589 HydrophobicContact CG1-CD2 3.33Å; V442-L589 HydrophobicContact CG1-CG 4.25Å; V442-L589 HydrophobicContact CG2-CD1 4.39Å; V442-L589 HydrophobicContact CG2-CD2 4.14Å; V442-F591 HydrophobicContact CG1-CE2 4.12Å; V442-F591 HydrophobicContact CG1-CZ 3.96Å; V442-F591 WeakPolarHBondContact O-CZ 3.46Å; V442-M664 HydrophobicContact CG2-SD 4.07Å
443G98.6Very high98.4Very high0 Ų026.7 Ų26.70%013%0.128CC..EExtended strand (participates in β ladder)trans-171.4163.9177.200000113I367 T527I367-G443 PolarHBondContact N-O 3.38Å; G443-T527 CarbonylContact C-O 3.59Å; G443-T527 WeakPolarHBondContact CA-O 3.3Å
444Y98.9Very high98.3Very high0 Ų027.6 Ų27.60%014%0.137CC..EExtended strand (participates in β ladder)trans-117.3125.2178.9175.6-104.4000110.6I367 G369 W416 N446 D516 Y517 F520 T527 S528 I529I367-Y444 HydrophobicContact CB-CD2 3.84Å; I367-Y444 HydrophobicContact CG2-CD2 3.6Å; I367-Y444 HydrophobicContact CG2-CE2 3.9Å; I367-Y444 CarbonylContact O-C 3.55Å; I367-Y444 WeakPolarHBondContact O-CA 3.29Å; G369-Y444 WeakPolarHBondContact CA-OH 3.42Å; W416-Y444 HydrophobicContact CZ2-CE2 4.04Å; W416-Y444 AromaticContact NE1-CZ 3.89Å; W416-Y444 PolarHBondContact NE1-OH 2.98Å; Y444-N446 HydrophobicContact CD1-CB 4.32Å; Y444-N446 HydrophobicContact CE1-CB 3.61Å; Y444-N446 WeakPolarHBondContact CE1-OD1 3.46Å; Y444-N446 PolarHBondContact OH-OD1 3.09Å; Y444-D516 WeakPolarHBondContact OH-CB 3.28Å; Y444-Y517 VanDerWaalsContact CE1-CA 3.45Å; Y444-F520 HydrophobicContact CD1-CB 4.15Å; Y444-F520 AromaticContact CD1-CD2 3.77Å; Y444-F520 HydrophobicContact CD1-CD2 3.77Å; Y444-F520 HydrophobicContact CD1-CE2 4.41Å; Y444-F520 HydrophobicContact CD1-CG 4Å; Y444-F520 HydrophobicContact CD2-CD1 4.08Å; Y444-F520 AromaticContact CD2-CD2 3.83Å; Y444-F520 HydrophobicContact CD2-CD2 3.83Å; Y444-F520 HydrophobicContact CD2-CE1 4.05Å; Y444-F520 AromaticContact CD2-CE2 3.79Å; Y444-F520 HydrophobicContact CD2-CE2 3.79Å; Y444-F520 AromaticContact CD2-CG 3.99Å; Y444-F520 HydrophobicContact CD2-CG 3.99Å; Y444-F520 AromaticContact CD2-CZ 3.91Å; Y444-F520 HydrophobicContact CD2-CZ 3.91Å; Y444-F520 AromaticContact CE1-CD2 3.81Å; Y444-F520 HydrophobicContact CE1-CD2 3.81Å; Y444-F520 HydrophobicContact CE1-CE2 4.17Å; Y444-F520 HydrophobicContact CE1-CG 4.5Å; Y444-F520 AromaticContact CE2-CD2 3.89Å; Y444-F520 HydrophobicContact CE2-CD2 3.89Å; Y444-F520 HydrophobicContact CE2-CE1 4.47Å; Y444-F520 AromaticContact CE2-CE2 3.54Å; Y444-F520 HydrophobicContact CE2-CE2 3.54Å; Y444-F520 AromaticContact CE2-CZ 3.88Å; Y444-F520 HydrophobicContact CE2-CZ 3.88Å; Y444-F520 HydrophobicContact CG-CB 4.11Å; Y444-F520 HydrophobicContact CG-CD1 4.12Å; Y444-F520 AromaticContact CG-CD2 3.79Å; Y444-F520 HydrophobicContact CG-CD2 3.79Å; Y444-F520 HydrophobicContact CG-CE2 4.24Å; Y444-F520 AromaticContact CG-CG 3.73Å; Y444-F520 HydrophobicContact CG-CG 3.73Å; Y444-F520 AromaticContact CZ-CD2 3.89Å; Y444-F520 AromaticContact CZ-CE2 3.76Å; Y444-T527 PolarHBondContact N-O 3.2Å; Y444-S528 CarbonylContact O-C 3.58Å; Y444-S528 WeakPolarHBondContact O-CA 3.4Å; Y444-I529 PolarHBondContact O-N 3.43Å
445I98.9Very high98.3Very high0 Ų025.4 Ų25.40%013%0.13CC..EExtended strand (participates in β ladder)trans-104.9114.4175.4-56.1177.1000108.1I367 Y368 G369 V447 I529 M531 I579 L580 L583I367-I445 PolarHBondContact O-N 3.32Å; Y368-I445 CarbonylContact C-O 3.46Å; Y368-I445 WeakPolarHBondContact CA-O 3.14Å; Y368-I445 HydrophobicContact CD2-CB 3.98Å; Y368-I445 HydrophobicContact CD2-CG2 3.76Å; Y368-I445 HydrophobicContact CE2-CG2 3.98Å; G369-I445 PolarHBondContact N-O 3.31Å; I445-V447 HydrophobicContact CG2-CG2 4.34Å; I445-I529 HydrophobicContact CB-CG2 4.02Å; I445-I529 HydrophobicContact CG1-CG2 3.85Å; I445-I529 HydrophobicContact CG2-CG2 3.96Å; I445-M531 HydrophobicContact CG2-CE 4.42Å; I445-I579 HydrophobicContact CD1-CB 4.38Å; I445-I579 HydrophobicContact CD1-CG2 3.85Å; I445-L580 HydrophobicContact CD1-CB 3.83Å; I445-L580 HydrophobicContact CD1-CD1 4.16Å; I445-L583 HydrophobicContact CD1-CD1 4.03Å; I445-L583 HydrophobicContact CG1-CD1 4.2Å
446N98.9Very high98.4Very high0 Ų021.4 Ų21.40%011%0.106CC..EExtended strand (participates in β ladder)trans-96.9128172.1-155.266000110Y444 S515 Y517 I529 D530 M531Y444-N446 HydrophobicContact CD1-CB 4.32Å; Y444-N446 HydrophobicContact CE1-CB 3.61Å; Y444-N446 WeakPolarHBondContact CE1-OD1 3.46Å; Y444-N446 PolarHBondContact OH-OD1 3.09Å; N446-S515 WeakPolarHBondContact ND2-CB 3.39Å; N446-S515 PolarHBondContact ND2-OG 2.83Å; N446-Y517 HydrophobicContact CB-CD1 4.27Å; N446-I529 WeakPolarHBondContact CA-O 3.41Å; N446-I529 VanDerWaalsContact CB-O 3.25Å; N446-I529 WeakPolarHBondContact CB-O 3.23Å; N446-I529 PolarHBondContact N-O 3.1Å; N446-D530 HydrophobicContact CB-CB 4.29Å; N446-D530 PolarHBondContact ND2-OD2 3.02Å; N446-D530 WeakPolarHBondContact O-CA 3.45Å; N446-M531 PolarHBondContact O-N 2.98Å
447V98.8Very high98.4Very high0 Ų017.6 Ų17.60%09%0.09CC..  trans-133.485.3163-175.90000106.5Y368 G369 N370 I445 M531 V572 A576Y368-V447 HydrophobicContact CE2-CG2 3.95Å; Y368-V447 WeakPolarHBondContact OH-CB 3.43Å; G369-V447 PolarHBondContact O-N 3.09Å; N370-V447 VanDerWaalsContact CB-O 3.3Å; N370-V447 WeakPolarHBondContact CB-O 3.37Å; N370-V447 PolarHBondContact ND2-O 2.82Å; I445-V447 HydrophobicContact CG2-CG2 4.34Å; V447-M531 HydrophobicContact CG2-CG 3.99Å; V447-V572 HydrophobicContact CG1-CG1 3.85Å; V447-A576 HydrophobicContact CG2-CB 3.94Å
448D98.5Very high98.4Very high11 Ų1122 Ų226%0.05911%0.106CC..SBendtrans-71.1-93174.8-179-31.6000109.4N370 H371 G385 S450 S515N370-D448 PolarHBondContact ND2-O 3.47Å; N370-D448 VanDerWaalsContact ND2-O 3.13Å; H371-D448 IonicContact CD2-OD1 3.84Å; H371-D448 IonicContact CD2-OD2 2.69Å; H371-D448 PolarHBondContact CD2-OD2 2.95Å; H371-D448 VanDerWaalsContact NE2-CG 3.27Å; H371-D448 IonicContact NE2-OD1 2.72Å; H371-D448 PolarHBondContact NE2-OD1 3.46Å; H371-D448 VanDerWaalsContact NE2-OD1 3.11Å; H371-D448 IonicContact NE2-OD2 3.19Å; H371-D448 PolarHBondContact NE2-OD2 2.87Å; G385-D448 WeakPolarHBondContact CA-O 3.42Å; G385-D448 PolarHBondContact N-O 3.4Å; D448-S450 PolarHBondContact O-N 3.06Å; D448-S515 WeakPolarHBondContact CB-OG 3.31Å; D448-S515 VanDerWaalsContact OD2-CB 3.27Å; D448-S515 WeakPolarHBondContact OD2-CB 3.25Å; D448-S515 PolarHBondContact OD2-OG 3Å
449I98.8Very high98.4Very high10 Ų1021 Ų215%0.05110%0.099CC..SBendtrans-77.2114.1167-66.3158.6000107.7I380 D381 F452 S532 Y545I380-I449 HydrophobicContact CG2-CB 4.44Å; I380-I449 HydrophobicContact CG2-CG1 4.2Å; I380-I449 HydrophobicContact CG2-CG2 3.44Å; I380-I449 VanDerWaalsContact CG2-CG2 3.44Å; D381-I449 HydrophobicContact CB-CD1 3.89Å; D381-I449 HydrophobicContact CB-CG1 3.8Å; I449-F452 HydrophobicContact CB-CD2 4.14Å; I449-F452 HydrophobicContact CB-CE1 4.37Å; I449-F452 HydrophobicContact CB-CE2 3.59Å; I449-F452 HydrophobicContact CB-CZ 3.71Å; I449-F452 HydrophobicContact CD1-CD1 4.3Å; I449-F452 HydrophobicContact CD1-CE1 3.52Å; I449-F452 HydrophobicContact CD1-CE2 4.26Å; I449-F452 HydrophobicContact CD1-CZ 3.49Å; I449-F452 VanDerWaalsContact CD1-CZ 3.49Å; I449-F452 HydrophobicContact CG1-CZ 4.22Å; I449-F452 HydrophobicContact CG2-CD1 4.26Å; I449-F452 HydrophobicContact CG2-CD2 3.49Å; I449-F452 VanDerWaalsContact CG2-CD2 3.49Å; I449-F452 HydrophobicContact CG2-CE1 4.26Å; I449-F452 HydrophobicContact CG2-CE2 3.5Å; I449-F452 HydrophobicContact CG2-CG 3.88Å; I449-F452 HydrophobicContact CG2-CZ 3.89Å; I449-S532 WeakPolarHBondContact O-CB 3.29Å; I449-Y545 HydrophobicContact CD1-CD1 4.47Å; I449-Y545 HydrophobicContact CD1-CE1 3.75Å
450S98.6Very high98.5Very high0 Ų017.5 Ų17.50%09%0.087CC..SBendtrans-73-36.1174.570.30000111.6S384 D448 S532 Y533 H569 V572S384-S450 WeakPolarHBondContact CB-OG 3.47Å; S384-S450 PolarHBondContact O-OG 2.88Å; S384-S450 PolarHBondContact OG-N 3Å; S384-S450 PolarHBondContact OG-OG 2.93Å; D448-S450 PolarHBondContact O-N 3.06Å; S450-S532 CarbonylContact O-C 3.49Å; S450-S532 VanDerWaalsContact O-CA 3.3Å; S450-S532 WeakPolarHBondContact O-CA 3.4Å; S450-S532 WeakPolarHBondContact O-CB 3.4Å; S450-Y533 PolarHBondContact O-N 3.08Å; S450-H569 PolarHBondContact OG-CD2 3.21Å; S450-V572 WeakPolarHBondContact O-CG2 3.16Å
451V98.7Very high98.5Very high0 Ų013.3 Ų13.30%07%0.071CC..BIsolated β-bridgetrans-139.1104.5-176.2-170.70000112.1I380 A453 I562 D563 A568 H569I380-V451 WeakPolarHBondContact CG2-O 3.44Å; V451-A453 VanDerWaalsContact CG1-O 3.31Å; V451-A453 WeakPolarHBondContact CG1-O 3.4Å; V451-I562 HydrophobicContact CB-CG2 4.29Å; V451-I562 HydrophobicContact CG1-CG2 3.76Å; V451-I562 VanDerWaalsContact O-CG2 3.3Å; V451-I562 WeakPolarHBondContact O-CG2 3.48Å; V451-D563 HydrophobicContact CG1-CB 4.24Å; V451-A568 HydrophobicContact CG1-CB 3.88Å; V451-A568 HydrophobicContact CG2-CB 3.91Å; V451-H569 HydrophobicContact CG2-CB 4.3Å; V451-H569 WeakPolarHBondContact CG2-ND1 3.11Å
452F98.5Very high98.4Very high14 Ų1413.3 Ų13.36%0.0617%0.071CC..SBendtrans-74.9-34.5167.7-64.8-105.5000111.2I449 R458 S532 Y533 Y535 I544 Y545I449-F452 HydrophobicContact CB-CD2 4.14Å; I449-F452 HydrophobicContact CB-CE1 4.37Å; I449-F452 HydrophobicContact CB-CE2 3.59Å; I449-F452 HydrophobicContact CB-CZ 3.71Å; I449-F452 HydrophobicContact CD1-CD1 4.3Å; I449-F452 HydrophobicContact CD1-CE1 3.52Å; I449-F452 HydrophobicContact CD1-CE2 4.26Å; I449-F452 HydrophobicContact CD1-CZ 3.49Å; I449-F452 VanDerWaalsContact CD1-CZ 3.49Å; I449-F452 HydrophobicContact CG1-CZ 4.22Å; I449-F452 HydrophobicContact CG2-CD1 4.26Å; I449-F452 HydrophobicContact CG2-CD2 3.49Å; I449-F452 VanDerWaalsContact CG2-CD2 3.49Å; I449-F452 HydrophobicContact CG2-CE1 4.26Å; I449-F452 HydrophobicContact CG2-CE2 3.5Å; I449-F452 HydrophobicContact CG2-CG 3.88Å; I449-F452 HydrophobicContact CG2-CZ 3.89Å; F452-R458 VanDerWaalsContact CE2-NH2 3.35Å; F452-R458 VanDerWaalsContact CZ-NH2 3.29Å; F452-S532 WeakPolarHBondContact CD2-OG 3.44Å; F452-S532 WeakPolarHBondContact CE2-OG 3.45Å; F452-Y533 WeakPolarHBondContact CD2-O 3.48Å; F452-Y533 PolarHBondContact N-O 3.46Å; F452-Y535 HydrophobicContact CB-CD1 4.13Å; F452-Y535 HydrophobicContact CB-CE1 4.12Å; F452-I544 HydrophobicContact CD1-CG1 4.05Å; F452-I544 HydrophobicContact CE1-CD1 3.91Å; F452-I544 HydrophobicContact CE1-CG1 3.91Å; F452-Y545 AromaticContact CD1-CD1 3.86Å; F452-Y545 HydrophobicContact CD1-CD1 3.86Å; F452-Y545 HydrophobicContact CE1-CD1 4.37Å
453A97.9Very high98.3Very high11 Ų1113.7 Ų13.79%0.0917%0.074CC..  trans-170176.516900000108.8V451 Y533 T534 Y535V451-A453 VanDerWaalsContact CG1-O 3.31Å; V451-A453 WeakPolarHBondContact CG1-O 3.4Å; A453-Y533 CarbonylContact O-C 3.56Å; A453-Y533 VanDerWaalsContact O-C 3.25Å; A453-Y533 WeakPolarHBondContact O-CB 3.23Å; A453-T534 CarbonylContact O-C 3.46Å; A453-T534 PolarHBondContact O-N 3.22Å; A453-Y535 HydrophobicContact CB-CD1 4.16Å; A453-Y535 HydrophobicContact CB-CG 4.39Å
454N96.8Very high98.2Very high78 Ų7813.7 Ų13.742%0.4177%0.074SC..SBendtrans-98.917.1-166.664.78.4000116.4A568N454-A568 HydrophobicContact CB-CB 3.99Å
455A97.8Very high98.2Very high19 Ų1913.7 Ų13.716%0.1577%0.074CC..SBendtrans-82.3-48.4-171.900000113.6N489 Y493 T534 D536A455-N489 PolarHBondContact O-ND2 3.48Å; A455-Y493 HydrophobicContact CB-CE1 4.22Å; A455-T534 WeakPolarHBondContact CB-O 3.35Å; A455-T534 PolarHBondContact N-O 2.95Å; A455-T534 VanDerWaalsContact N-O 3.09Å; A455-D536 HydrophobicContact CB-CB 4.15Å
456T98.5Very high98.1Very high3 Ų314.1 Ų14.12%0.0188%0.076CC..EExtended strand (participates in β ladder)trans-156.6155-171-164.30000112.9W490 Y493 Y533 T534T456-W490 WeakPolarHBondContact OG1-CA 3.41Å; T456-Y493 VanDerWaalsContact CB-CD2 3.42Å; T456-Y493 HydrophobicContact CG2-CD1 4.07Å; T456-Y493 HydrophobicContact CG2-CD2 4.11Å; T456-Y493 HydrophobicContact CG2-CG 3.7Å; T456-Y493 VanDerWaalsContact OG1-CD2 3.26Å; T456-Y493 WeakPolarHBondContact OG1-CD2 3.36Å; T456-Y533 CarbonylContact O-C 3.54Å; T456-Y533 WeakPolarHBondContact O-CA 3.47Å; T456-T534 HydrophobicContact CG2-CG2 3.81Å; T456-T534 PolarHBondContact N-O 3.09Å; T456-T534 VanDerWaalsContact N-O 3.07Å; T456-T534 PolarHBondContact O-N 2.69Å
457L98.6Very high98Very high0 Ų016.1 Ų16.10%09%0.09CC..EExtended strand (participates in β ladder)trans-68144.9171-169.275.3000109.7V486 W490 S532 Y533L457-V486 HydrophobicContact CB-CG1 3.74Å; L457-V486 HydrophobicContact CD1-CG1 4.43Å; L457-V486 HydrophobicContact CD2-CG1 3.75Å; L457-V486 HydrophobicContact CG-CG1 4.18Å; L457-W490 HydrophobicContact CB-CB 4.37Å; L457-W490 HydrophobicContact CB-CD2 4.33Å; L457-W490 HydrophobicContact CB-CG 4.22Å; L457-W490 HydrophobicContact CD2-CD2 4.26Å; L457-W490 HydrophobicContact CD2-CE3 3.84Å; L457-W490 HydrophobicContact CD2-CH2 4.46Å; L457-W490 HydrophobicContact CD2-CZ3 3.95Å; L457-W490 PolarHBondContact O-NE1 3.28Å; L457-W490 VanDerWaalsContact O-NE1 3.12Å; L457-S532 CarbonylContact C-O 3.54Å; L457-S532 WeakPolarHBondContact CD1-O 3.39Å; L457-Y533 HydrophobicContact CB-CD2 4.3Å; L457-Y533 HydrophobicContact CB-CE2 3.95Å; L457-Y533 HydrophobicContact CD1-CD2 3.9Å; L457-Y533 HydrophobicContact CD1-CE2 4.02Å
458R98Very high98Very high93 Ų9316.2 Ų16.235%0.3519%0.09SC..EExtended strand (participates in β ladder)trans-124.6147.4157.367.8170.2-155.814811.9108.6F452 D530 M531 S532 T534F452-R458 VanDerWaalsContact CE2-NH2 3.35Å; F452-R458 VanDerWaalsContact CZ-NH2 3.29Å; R458-D530 IonicContact NH2-OD1 2.75Å; R458-M531 WeakPolarHBondContact O-CA 3.48Å; R458-S532 WeakPolarHBondContact CD-OG 3.44Å; R458-S532 WeakPolarHBondContact CG-OG 3.49Å; R458-S532 PolarHBondContact N-O 3.28Å; R458-S532 PolarHBondContact NE-OG 3.07Å; R458-S532 PolarHBondContact O-N 3.15Å; R458-S532 VanDerWaalsContact O-O 3.06Å; R458-T534 HydrophobicContact CB-CG2 3.91Å; R458-T534 HydrophobicContact CG-CG2 4.03Å
459A98.3Very high98Very high5 Ų515.7 Ų15.74%0.0419%0.088CC..EExtended strand (participates in β ladder)trans-145.9144.8170.900000109.8W490 V507 G508 I529 D530 M531A459-W490 HydrophobicContact CB-CH2 3.89Å; A459-W490 HydrophobicContact CB-CZ2 4.17Å; A459-V507 HydrophobicContact CB-CG1 4.45Å; A459-V507 CarbonylContact O-C 3.55Å; A459-V507 WeakPolarHBondContact O-CA 3.47Å; A459-G508 PolarHBondContact O-N 3.23Å; A459-I529 HydrophobicContact CB-CD1 4.5Å; A459-D530 CarbonylContact C-O 3.53Å; A459-D530 VanDerWaalsContact CA-O 3.25Å; A459-D530 WeakPolarHBondContact CA-O 3.19Å; A459-M531 HydrophobicContact CB-CB 4.09Å
460S98.6Very high98Very high33 Ų3316.1 Ų16.123%0.2319%0.089CC..EExtended strand (participates in β ladder)trans-123.7131.2167.4-59.80000108.2G508 I529 D530S460-G508 CarbonylContact C-O 3.06Å; S460-G508 VanDerWaalsContact CA-O 3.25Å; S460-G508 WeakPolarHBondContact CA-O 3.2Å; S460-I529 CarbonylContact O-C 3.53Å; S460-I529 WeakPolarHBondContact O-CA 3.47Å; S460-D530 PolarHBondContact N-O 3.38Å; S460-D530 PolarHBondContact O-N 3.02Å
461A98.3Very high98Very high2 Ų220.6 Ų20.62%0.01711%0.109CC..EExtended strand (participates in β ladder)trans-156.7168.7-175.100000111.4M465 I469 V507 G508 S528 I529A461-M465 HydrophobicContact CB-CB 4.25Å; A461-I469 HydrophobicContact CB-CD1 3.72Å; A461-V507 HydrophobicContact CB-CG1 3.92Å; A461-G508 PolarHBondContact N-O 3.38Å; A461-S528 VanDerWaalsContact CA-O 3.27Å; A461-S528 WeakPolarHBondContact CA-O 3.37Å; A461-S528 WeakPolarHBondContact CB-O 3.42Å; A461-I529 HydrophobicContact CB-CB 3.89Å; A461-I529 HydrophobicContact CB-CD1 4.22Å; A461-I529 HydrophobicContact CB-CG1 3.94Å
462M97.1Very high98Very high1 Ų120.6 Ų20.61%0.00511%0.109CC..  trans-66.2141.2165.2-83.860.8124.800109.3S464 M465 L510 V521 I526 T527 S528 Y596M462-S464 PolarHBondContact O-N 3.11Å; M462-M465 PolarHBondContact O-N 3.02Å; M462-L510 HydrophobicContact SD-CD1 3.99Å; M462-V521 HydrophobicContact CE-CB 3.95Å; M462-V521 HydrophobicContact CE-CG1 3.73Å; M462-V521 HydrophobicContact CE-CG2 3.33Å; M462-V521 HydrophobicContact SD-CG1 4.47Å; M462-V521 HydrophobicContact SD-CG2 4.28Å; M462-I526 WeakPolarHBondContact CE-O 3.44Å; M462-T527 HydrophobicContact CB-CG2 3.96Å; M462-S528 PolarHBondContact N-O 2.79Å; M462-S528 VanDerWaalsContact N-O 3.1Å; M462-Y596 HydrophobicContact CB-CE2 4.35Å
463P97.4Very high98Very high7 Ų720 Ų205%0.04511%0.106CC..G310 helixtrans-53.5-33.1-175-25.828.6000114.5M465 Q466 Y509 D595 Y596 S599 W687P463-M465 PolarHBondContact O-N 3.34Å; P463-Q466 VanDerWaalsContact O-CB 3.24Å; P463-Q466 WeakPolarHBondContact O-CB 3.45Å; P463-Q466 PolarHBondContact O-N 3.49Å; P463-Q466 VanDerWaalsContact O-N 3.08Å; P463-Y509 HydrophobicContact CG-CE1 4.01Å; P463-D595 WeakPolarHBondContact O-CB 3.35Å; P463-Y596 HydrophobicContact CB-CD2 3.87Å; P463-Y596 HydrophobicContact CB-CG 3.92Å; P463-Y596 HydrophobicContact CG-CD1 4.15Å; P463-Y596 HydrophobicContact CG-CD2 3.86Å; P463-Y596 HydrophobicContact CG-CE1 4.38Å; P463-Y596 HydrophobicContact CG-CE2 4.14Å; P463-Y596 HydrophobicContact CG-CG 3.9Å; P463-S599 WeakPolarHBondContact CG-OG 3.34Å; P463-W687 HydrophobicContact CG-CH2 4Å; P463-W687 HydrophobicContact CG-CZ2 3.64Å
464S96.8Very high98Very high0 Ų024.1 Ų24.10%012%0.123CC..G310 helixtrans-59.8-25.1179.152.20000113.5M462 T527 F591 N592M462-S464 PolarHBondContact O-N 3.11Å; S464-T527 WeakPolarHBondContact OG-CG2 3.29Å; S464-F591 VanDerWaalsContact O-CA 3.31Å; S464-F591 WeakPolarHBondContact O-CA 3.3Å; S464-N592 PolarHBondContact O-N 2.85Å
465M97.6Very high98.1Very high0 Ų023.1 Ų23.10%012%0.116CC..G310 helixtrans-84.2-8.7178.2-61.7-168.173.100114A461 M462 P463 S467 V468 I469 T527 S528 I529 I579 L583 F591A461-M465 HydrophobicContact CB-CB 4.25Å; M462-M465 PolarHBondContact O-N 3.02Å; P463-M465 PolarHBondContact O-N 3.34Å; M465-S467 VanDerWaalsContact C-N 3.27Å; M465-S467 PolarHBondContact O-N 3.25Å; M465-S467 VanDerWaalsContact O-N 3.17Å; M465-V468 HydrophobicContact CB-CG1 4.22Å; M465-V468 HydrophobicContact CE-CG1 4.47Å; M465-V468 WeakPolarHBondContact O-CG1 3.43Å; M465-V468 PolarHBondContact O-N 2.96Å; M465-I469 HydrophobicContact CB-CD1 4.07Å; M465-I469 HydrophobicContact CB-CG1 4.44Å; M465-I469 WeakPolarHBondContact O-CD1 3.48Å; M465-I469 VanDerWaalsContact O-CG1 3.24Å; M465-I469 WeakPolarHBondContact O-CG1 3.33Å; M465-I469 PolarHBondContact O-N 3.33Å; M465-I469 VanDerWaalsContact O-N 3.13Å; M465-T527 HydrophobicContact CG-CG2 3.48Å; M465-T527 VanDerWaalsContact CG-CG2 3.48Å; M465-T527 HydrophobicContact SD-CG2 3.82Å; M465-S528 VanDerWaalsContact SD-C 3.52Å; M465-I529 HydrophobicContact CE-CB 4.1Å; M465-I529 HydrophobicContact CE-CG2 3.72Å; M465-I529 HydrophobicContact SD-CB 3.98Å; M465-I529 HydrophobicContact SD-CG2 4.16Å; M465-I579 HydrophobicContact CE-CG2 4.33Å; M465-L583 HydrophobicContact CE-CD1 3.8Å; M465-F591 HydrophobicContact CG-CD1 4.28Å; M465-F591 HydrophobicContact CG-CE1 3.89Å
466Q97.8Very high98.1Very high9 Ų922.4 Ų22.44%0.04211%0.11CC..Hα-helixtrans-52.5-45.1-172.5-177.9178.4-9600112.7P463 I469 F470 V507P463-Q466 VanDerWaalsContact O-CB 3.24Å; P463-Q466 WeakPolarHBondContact O-CB 3.45Å; P463-Q466 PolarHBondContact O-N 3.49Å; P463-Q466 VanDerWaalsContact O-N 3.08Å; Q466-I469 PolarHBondContact O-N 2.98Å; Q466-F470 HydrophobicContact CG-CD1 4.49Å; Q466-F470 HydrophobicContact CG-CD2 3.92Å; Q466-F470 HydrophobicContact CG-CE1 4.02Å; Q466-F470 HydrophobicContact CG-CE2 3.38Å; Q466-F470 HydrophobicContact CG-CG 4.45Å; Q466-F470 HydrophobicContact CG-CZ 3.43Å; Q466-F470 VanDerWaalsContact CG-CZ 3.43Å; Q466-F470 VanDerWaalsContact O-CG 3.26Å; Q466-F470 WeakPolarHBondContact O-CG 3.07Å; Q466-F470 PolarHBondContact O-N 3.03Å; Q466-V507 HydrophobicContact CG-CG2 4.09Å
467S96.9Very high98Very high43 Ų4327.1 Ų27.130%0.30114%0.135SC..Hα-helixtrans-63.6-44-177.961.20000113.1M465 F470 K471 P590M465-S467 VanDerWaalsContact C-N 3.27Å; M465-S467 PolarHBondContact O-N 3.25Å; M465-S467 VanDerWaalsContact O-N 3.17Å; S467-F470 PolarHBondContact O-N 3.37Å; S467-K471 WeakPolarHBondContact O-CB 3.34Å; S467-K471 PolarHBondContact O-N 3.29Å; S467-P590 PolarHBondContact OG-O 3.29Å
468V98.5Very high98Very high2 Ų227.3 Ų27.31%0.01214%0.137CC..Hα-helixtrans-68.7-35.5179.266.40000111.7M465 K471 A472 I579 R582 P590M465-V468 HydrophobicContact CB-CG1 4.22Å; M465-V468 HydrophobicContact CE-CG1 4.47Å; M465-V468 WeakPolarHBondContact O-CG1 3.43Å; M465-V468 PolarHBondContact O-N 2.96Å; V468-K471 PolarHBondContact O-N 3.19Å; V468-A472 WeakPolarHBondContact O-CB 3.23Å; V468-A472 PolarHBondContact O-N 3.14Å; V468-I579 HydrophobicContact CG1-CG2 4.39Å; V468-I579 HydrophobicContact CG2-CG2 4.35Å; V468-R582 HydrophobicContact CG2-CB 3.8Å; V468-R582 HydrophobicContact CG2-CG 4.42Å; V468-P590 HydrophobicContact CB-CB 4.07Å; V468-P590 HydrophobicContact CB-CG 4Å; V468-P590 HydrophobicContact CG2-CB 4.18Å; V468-P590 HydrophobicContact CG2-CG 3.8Å
469I98.8Very high97.8Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-62.6-50.1174.5-59.9163000110A461 M465 Q466 K471 A472 A473 W490 V507 I529 I579A461-I469 HydrophobicContact CB-CD1 3.72Å; M465-I469 HydrophobicContact CB-CD1 4.07Å; M465-I469 HydrophobicContact CB-CG1 4.44Å; M465-I469 WeakPolarHBondContact O-CD1 3.48Å; M465-I469 VanDerWaalsContact O-CG1 3.24Å; M465-I469 WeakPolarHBondContact O-CG1 3.33Å; M465-I469 PolarHBondContact O-N 3.33Å; M465-I469 VanDerWaalsContact O-N 3.13Å; Q466-I469 PolarHBondContact O-N 2.98Å; I469-K471 VanDerWaalsContact C-N 3.34Å; I469-K471 PolarHBondContact O-N 3.11Å; I469-A472 PolarHBondContact O-N 3.13Å; I469-A473 WeakPolarHBondContact O-CB 3.27Å; I469-A473 PolarHBondContact O-N 3.13Å; I469-W490 HydrophobicContact CG2-CH2 4.15Å; I469-W490 HydrophobicContact CG2-CZ3 3.92Å; I469-V507 HydrophobicContact CD1-CG1 4.15Å; I469-I529 HydrophobicContact CD1-CD1 3.34Å; I469-I529 HydrophobicContact CD1-CG1 4.4Å; I469-I529 HydrophobicContact CG1-CD1 3.38Å; I469-I579 HydrophobicContact CB-CD1 4.48Å; I469-I579 HydrophobicContact CG1-CD1 4.23Å
470F98.8Very high97.3Very high19 Ų1927.4 Ų27.48%0.08316%0.163CC..Hα-helixtrans-62.8-42.9-179.5-68.5-6.9000111.5Q466 S467 A472 A473 Q474 Y487 W490 I504 P505 V507Q466-F470 HydrophobicContact CG-CD1 4.49Å; Q466-F470 HydrophobicContact CG-CD2 3.92Å; Q466-F470 HydrophobicContact CG-CE1 4.02Å; Q466-F470 HydrophobicContact CG-CE2 3.38Å; Q466-F470 HydrophobicContact CG-CG 4.45Å; Q466-F470 HydrophobicContact CG-CZ 3.43Å; Q466-F470 VanDerWaalsContact CG-CZ 3.43Å; Q466-F470 VanDerWaalsContact O-CG 3.26Å; Q466-F470 WeakPolarHBondContact O-CG 3.07Å; Q466-F470 PolarHBondContact O-N 3.03Å; S467-F470 PolarHBondContact O-N 3.37Å; F470-A472 VanDerWaalsContact C-N 3.33Å; F470-A472 PolarHBondContact O-N 3.46Å; F470-A473 PolarHBondContact O-N 2.85Å; F470-Q474 WeakPolarHBondContact O-CB 3.13Å; F470-Q474 VanDerWaalsContact O-CG 3.23Å; F470-Q474 WeakPolarHBondContact O-CG 3.39Å; F470-Q474 PolarHBondContact O-N 3.47Å; F470-Y487 HydrophobicContact CB-CD2 3.97Å; F470-Y487 HydrophobicContact CB-CE2 3.83Å; F470-Y487 HydrophobicContact CD1-CD2 4.1Å; F470-Y487 AromaticContact CD1-CE2 3.9Å; F470-Y487 HydrophobicContact CD1-CE2 3.9Å; F470-Y487 AromaticContact CD2-CE2 3.87Å; F470-Y487 HydrophobicContact CD2-CE2 3.87Å; F470-Y487 HydrophobicContact CE1-CE2 4.4Å; F470-Y487 HydrophobicContact CE2-CE2 4.36Å; F470-Y487 HydrophobicContact CG-CD2 4.04Å; F470-Y487 AromaticContact CG-CE2 3.6Å; F470-Y487 HydrophobicContact CG-CE2 3.6Å; F470-W490 AromaticContact CD1-CZ3 3.96Å; F470-W490 HydrophobicContact CD1-CZ3 3.96Å; F470-W490 HydrophobicContact CE1-CH2 4.12Å; F470-W490 AromaticContact CE1-CZ3 3.79Å; F470-W490 HydrophobicContact CE1-CZ3 3.79Å; F470-I504 HydrophobicContact CE2-CB 3.91Å; F470-I504 HydrophobicContact CE2-CD1 3.91Å; F470-I504 HydrophobicContact CE2-CG1 4.44Å; F470-I504 HydrophobicContact CE2-CG2 4.22Å; F470-I504 HydrophobicContact CZ-CB 4.13Å; F470-I504 HydrophobicContact CZ-CD1 4.12Å; F470-I504 HydrophobicContact CZ-CG1 4.49Å; F470-P505 HydrophobicContact CD1-CG 4.46Å; F470-P505 HydrophobicContact CE1-CB 4.01Å; F470-P505 HydrophobicContact CE1-CG 4.03Å; F470-P505 HydrophobicContact CZ-CB 4.36Å; F470-P505 HydrophobicContact CZ-CG 4.35Å; F470-P505 WeakPolarHBondContact CZ-O 3.4Å; F470-V507 HydrophobicContact CE1-CG2 3.66Å; F470-V507 HydrophobicContact CZ-CG2 3.98Å
471K98.6Very high96.8Very high94 Ų9429.1 Ų29.141%0.40917%0.169SC..Hα-helixtrans-59.3-44.3177.4-174.866.5179.9-173.20111.9S467 V468 I469 Q475S467-K471 WeakPolarHBondContact O-CB 3.34Å; S467-K471 PolarHBondContact O-N 3.29Å; V468-K471 PolarHBondContact O-N 3.19Å; I469-K471 VanDerWaalsContact C-N 3.34Å; I469-K471 PolarHBondContact O-N 3.11Å; K471-Q475 WeakPolarHBondContact O-CG 3.33Å
472A98.8Very high96.2Very high0 Ų033.4 Ų33.40%021%0.205CC..Hα-helixtrans-66-48.117700000111.7V468 I469 F470 Q474 Q475 V476 T575 N578 I579V468-A472 WeakPolarHBondContact O-CB 3.23Å; V468-A472 PolarHBondContact O-N 3.14Å; I469-A472 PolarHBondContact O-N 3.13Å; F470-A472 VanDerWaalsContact C-N 3.33Å; F470-A472 PolarHBondContact O-N 3.46Å; A472-Q474 VanDerWaalsContact C-N 3.25Å; A472-Q474 PolarHBondContact O-N 2.94Å; A472-Q475 PolarHBondContact O-N 2.83Å; A472-V476 WeakPolarHBondContact O-CG2 3.21Å; A472-V476 PolarHBondContact O-N 3.43Å; A472-T575 HydrophobicContact CB-CG2 4.21Å; A472-N578 HydrophobicContact CB-CB 3.93Å; A472-I579 HydrophobicContact CB-CD1 4.18Å; A472-I579 HydrophobicContact CB-CG1 3.54Å
473A98.7Very high95.8Very high0 Ų039.2 Ų39.20%025%0.246CC..Hα-helixtrans-62.8-28.9-179.600000113.3I469 F470 Q475 V486 Y487I469-A473 WeakPolarHBondContact O-CB 3.27Å; I469-A473 PolarHBondContact O-N 3.13Å; F470-A473 PolarHBondContact O-N 2.85Å; A473-Q475 VanDerWaalsContact C-N 3.28Å; A473-Q475 PolarHBondContact O-N 3.28Å; A473-V486 HydrophobicContact CB-CB 4.23Å; A473-V486 HydrophobicContact CB-CG1 4.06Å; A473-V486 WeakPolarHBondContact O-CB 3.33Å; A473-V486 PolarHBondContact O-N 2.91Å; A473-Y487 PolarHBondContact O-N 3.25Å; A473-Y487 VanDerWaalsContact O-N 3.08Å
474Q98.6Very high95.8Very high98 Ų9839.9 Ų39.946%0.45825%0.249SC..Hα-helixtrans-71-21.6173.9-75.8172.1-1600113.4F470 A472 Y487F470-Q474 WeakPolarHBondContact O-CB 3.13Å; F470-Q474 VanDerWaalsContact O-CG 3.23Å; F470-Q474 WeakPolarHBondContact O-CG 3.39Å; F470-Q474 PolarHBondContact O-N 3.47Å; A472-Q474 VanDerWaalsContact C-N 3.25Å; A472-Q474 PolarHBondContact O-N 2.94Å; Q474-Y487 HydrophobicContact CG-CD1 4.08Å; Q474-Y487 HydrophobicContact CG-CD2 3.99Å; Q474-Y487 HydrophobicContact CG-CG 3.63Å
475Q97.9Very high95.9Very high58 Ų5840.5 Ų40.527%0.27125%0.254SS..THydrogen-bonded Turntrans-97.8-1.8-177.3-69.3-177.3-33.500113.7E45 L52 K471 A472 A473 N578 R582E45-Q475 PolarHBondContact OE2-NE2 3.47Å; L52-Q475 HydrophobicContact CD1-CB 4.47Å; K471-Q475 WeakPolarHBondContact O-CG 3.33Å; A472-Q475 PolarHBondContact O-N 2.83Å; A473-Q475 VanDerWaalsContact C-N 3.28Å; A473-Q475 PolarHBondContact O-N 3.28Å; Q475-N578 PolarHBondContact OE1-ND2 3.11Å; Q475-R582 VanDerWaalsContact CD-NH2 3.32Å
476V98.3Very high95.9Very high3 Ų340.5 Ų40.52%0.01825%0.254CS..SBendtrans-113.9133.3-178.9-178.60000108.4L52 A472 S485 V486 A571 R574L52-V476 HydrophobicContact CD2-CG2 3.95Å; A472-V476 WeakPolarHBondContact O-CG2 3.21Å; A472-V476 PolarHBondContact O-N 3.43Å; V476-S485 CarbonylContact O-C 3.55Å; V476-S485 VanDerWaalsContact O-CA 3.29Å; V476-S485 WeakPolarHBondContact O-CA 2.96Å; V476-V486 HydrophobicContact CB-CG2 3.93Å; V476-V486 HydrophobicContact CG1-CG2 3.74Å; V476-V486 PolarHBondContact O-N 3.09Å; V476-A571 HydrophobicContact CG1-CB 4.3Å; V476-R574 HydrophobicContact CB-CB 4.5Å; V476-R574 HydrophobicContact CG1-CB 3.76Å; V476-R574 HydrophobicContact CG2-CB 3.83Å
477D96.9Very high96Very high103 Ų10341.4 Ų41.455%0.55126%0.257SS*.BIsolated β-bridgetrans-71.5138.4174.5-64.6-39.6000110.8
478A97.6Very high96.1Very high4 Ų442.9 Ų42.93%0.03326%0.262CS..PPolyproline II helixtrans-68.5139.2174.300000110.7G480 L481 T484 N489A478-G480 PolarHBondContact O-N 2.9Å; A478-L481 HydrophobicContact CB-CB 4.16Å; A478-L481 HydrophobicContact CB-CD1 4.15Å; A478-L481 PolarHBondContact O-N 3.45Å; A478-L481 VanDerWaalsContact O-N 3.14Å; A478-T484 HydrophobicContact CB-CG2 4.43Å; A478-T484 WeakPolarHBondContact CB-O 3.5Å; A478-T484 PolarHBondContact N-O 3.33Å; A478-N489 HydrophobicContact CB-CB 3.69Å
479P93.7Very high96.1Very high21 Ų2143 Ų4314%0.13626%0.262CS..THydrogen-bonded Turntrans-53.9126.7179.8-25.734.8000112.3L481 Y533 V567 A568 A571P479-L481 PolarHBondContact O-N 3.37Å; P479-L481 VanDerWaalsContact O-N 3.16Å; P479-Y533 WeakPolarHBondContact CD-OH 3.32Å; P479-Y533 HydrophobicContact CG-CD1 4.34Å; P479-Y533 HydrophobicContact CG-CE1 3.68Å; P479-Y533 HydrophobicContact CG-CE2 4.34Å; P479-V567 HydrophobicContact CB-CB 4.17Å; P479-V567 HydrophobicContact CB-CG2 3.9Å; P479-A568 HydrophobicContact CB-CB 4.44Å; P479-A568 HydrophobicContact CG-CB 4.04Å; P479-A571 HydrophobicContact CG-CB 3.63Å
480G87.4Confident96.1Very high79 Ų7943 Ų4381%0.81426%0.262SS*.THydrogen-bonded Turntrans704.1176.700000115.8A478A478-G480 PolarHBondContact O-N 2.9Å
481L89.2Confident96Very high68 Ų6843.6 Ų43.636%0.35627%0.266SS..  trans-120.199.6-176.7-61179.1000111.3A478 P479 S483 T484 N489A478-L481 HydrophobicContact CB-CB 4.16Å; A478-L481 HydrophobicContact CB-CD1 4.15Å; A478-L481 PolarHBondContact O-N 3.45Å; A478-L481 VanDerWaalsContact O-N 3.14Å; P479-L481 PolarHBondContact O-N 3.37Å; P479-L481 VanDerWaalsContact O-N 3.16Å; L481-S483 PolarHBondContact O-N 2.94Å; L481-T484 HydrophobicContact CD1-CG2 4.43Å; L481-T484 PolarHBondContact O-N 3.39Å; L481-N489 HydrophobicContact CD1-CB 4.37Å; L481-N489 WeakPolarHBondContact CD1-OD1 3.2Å
482A85Confident96Very high93 Ų9346.5 Ų46.577%0.76927%0.274SS*.THydrogen-bonded Turntrans-59.1136.8176.800000111.6T484A482-T484 PolarHBondContact O-N 3.18Å; A482-T484 VanDerWaalsContact O-N 3.11Å
483S88.9Confident95.9Very high123 Ų12350.5 Ų50.586%0.8629%0.29SS*.THydrogen-bonded Turntrans58.421.2175.7-49.50000115.1L481L481-S483 PolarHBondContact O-N 2.94Å
484T97.4Very high95.8Very high20 Ų2053.2 Ų53.212%0.12331%0.306CS..  trans-118122.6173.8-59.90000108.3A478 L481 A482 D488 N489A478-T484 HydrophobicContact CB-CG2 4.43Å; A478-T484 WeakPolarHBondContact CB-O 3.5Å; A478-T484 PolarHBondContact N-O 3.33Å; L481-T484 HydrophobicContact CD1-CG2 4.43Å; L481-T484 PolarHBondContact O-N 3.39Å; A482-T484 PolarHBondContact O-N 3.18Å; A482-T484 VanDerWaalsContact O-N 3.11Å; T484-D488 HydrophobicContact CG2-CB 3.95Å; T484-N489 HydrophobicContact CG2-CB 4.08Å
485S98.6Very high95.8Very high13 Ų1351.6 Ų51.69%0.09130%0.301CS..BIsolated β-bridgetrans-71.8159.3175.470.20000111.5V476 Y487 D488 N489V476-S485 CarbonylContact O-C 3.55Å; V476-S485 VanDerWaalsContact O-CA 3.29Å; V476-S485 WeakPolarHBondContact O-CA 2.96Å; S485-Y487 PolarHBondContact O-N 2.7Å; S485-D488 PolarHBondContact O-N 3.03Å; S485-D488 VanDerWaalsContact O-N 3.15Å; S485-D488 WeakPolarHBondContact OG-CB 3.41Å; S485-D488 PolarHBondContact OG-N 3.27Å; S485-D488 PolarHBondContact OG-OD2 3.43Å; S485-N489 PolarHBondContact O-N 3.19Å
486V98.7Very high95.7Very high0 Ų050.4 Ų50.40%029%0.294CS..Hα-helixtrans-54.9-39.5171.1170.90000110.1L457 A473 V476 N489 W490 Y533 A571L457-V486 HydrophobicContact CB-CG1 3.74Å; L457-V486 HydrophobicContact CD1-CG1 4.43Å; L457-V486 HydrophobicContact CD2-CG1 3.75Å; L457-V486 HydrophobicContact CG-CG1 4.18Å; A473-V486 HydrophobicContact CB-CB 4.23Å; A473-V486 HydrophobicContact CB-CG1 4.06Å; A473-V486 WeakPolarHBondContact O-CB 3.33Å; A473-V486 PolarHBondContact O-N 2.91Å; V476-V486 HydrophobicContact CB-CG2 3.93Å; V476-V486 HydrophobicContact CG1-CG2 3.74Å; V476-V486 PolarHBondContact O-N 3.09Å; V486-N489 PolarHBondContact O-N 3.08Å; V486-W490 WeakPolarHBondContact O-CB 3.38Å; V486-W490 PolarHBondContact O-N 3.03Å; V486-Y533 HydrophobicContact CG1-CE2 4.24Å; V486-A571 HydrophobicContact CG2-CB 4.28Å
487Y98.8Very high95.6Very high29 Ų2955.5 Ų55.511%0.11433%0.325CS..Hα-helixtrans-60-50.3174.8-179.4-84.7000112.6F470 A473 Q474 S485 N489 W490 I491 P505F470-Y487 HydrophobicContact CB-CD2 3.97Å; F470-Y487 HydrophobicContact CB-CE2 3.83Å; F470-Y487 HydrophobicContact CD1-CD2 4.1Å; F470-Y487 AromaticContact CD1-CE2 3.9Å; F470-Y487 HydrophobicContact CD1-CE2 3.9Å; F470-Y487 AromaticContact CD2-CE2 3.87Å; F470-Y487 HydrophobicContact CD2-CE2 3.87Å; F470-Y487 HydrophobicContact CE1-CE2 4.4Å; F470-Y487 HydrophobicContact CE2-CE2 4.36Å; F470-Y487 HydrophobicContact CG-CD2 4.04Å; F470-Y487 AromaticContact CG-CE2 3.6Å; F470-Y487 HydrophobicContact CG-CE2 3.6Å; A473-Y487 PolarHBondContact O-N 3.25Å; A473-Y487 VanDerWaalsContact O-N 3.08Å; Q474-Y487 HydrophobicContact CG-CD1 4.08Å; Q474-Y487 HydrophobicContact CG-CD2 3.99Å; Q474-Y487 HydrophobicContact CG-CG 3.63Å; S485-Y487 PolarHBondContact O-N 2.7Å; Y487-N489 VanDerWaalsContact C-N 3.27Å; Y487-N489 PolarHBondContact O-N 3.33Å; Y487-W490 PolarHBondContact O-N 2.85Å; Y487-I491 PolarHBondContact O-N 2.85Å; Y487-I491 VanDerWaalsContact O-N 3.1Å; Y487-P505 HydrophobicContact CD2-CG 3.65Å; Y487-P505 HydrophobicContact CE1-CG 4.38Å; Y487-P505 HydrophobicContact CE2-CG 3.4Å; Y487-P505 VanDerWaalsContact CE2-CG 3.4Å; Y487-P505 HydrophobicContact CG-CG 4.24Å; Y487-P505 VanDerWaalsContact OH-CD 3.31Å; Y487-P505 WeakPolarHBondContact OH-CD 3.41Å
488D98.6Very high95.6Very high74 Ų7450.7 Ų50.740%0.39630%0.3SS..Hα-helixtrans-69.1-26.8-177.7-64.2-42.9000112.7T484 S485 I491 R492T484-D488 HydrophobicContact CG2-CB 3.95Å; S485-D488 PolarHBondContact O-N 3.03Å; S485-D488 VanDerWaalsContact O-N 3.15Å; S485-D488 WeakPolarHBondContact OG-CB 3.41Å; S485-D488 PolarHBondContact OG-N 3.27Å; S485-D488 PolarHBondContact OG-OD2 3.43Å; D488-I491 WeakPolarHBondContact O-CG2 3.28Å; D488-R492 WeakPolarHBondContact O-CD 3.47Å; D488-R492 WeakPolarHBondContact O-CG 3.29Å; D488-R492 PolarHBondContact O-NE 3.49Å
489N98.6Very high95.4Very high4 Ų456.2 Ų56.22%0.02134%0.335CS..Hα-helixtrans-73.4-49.6169.3-173.961.8000110.5A455 A478 L481 T484 S485 V486 Y487 I491 R492 Y493A455-N489 PolarHBondContact O-ND2 3.48Å; A478-N489 HydrophobicContact CB-CB 3.69Å; L481-N489 HydrophobicContact CD1-CB 4.37Å; L481-N489 WeakPolarHBondContact CD1-OD1 3.2Å; T484-N489 HydrophobicContact CG2-CB 4.08Å; S485-N489 PolarHBondContact O-N 3.19Å; V486-N489 PolarHBondContact O-N 3.08Å; Y487-N489 VanDerWaalsContact C-N 3.27Å; Y487-N489 PolarHBondContact O-N 3.33Å; N489-I491 PolarHBondContact O-N 3.39Å; N489-R492 VanDerWaalsContact O-CB 3.3Å; N489-R492 WeakPolarHBondContact O-CB 3.21Å; N489-R492 PolarHBondContact O-N 3.08Å; N489-Y493 WeakPolarHBondContact O-CD2 3.23Å
490W98.6Very high95.4Very high0 Ų058.8 Ų58.80%035%0.351CS..Hα-helixtrans-56.1-46.9-174.7-17919.5000113.4T456 L457 A459 I469 F470 V486 Y487 R492 Y493 T494 P505 R506 V507T456-W490 WeakPolarHBondContact OG1-CA 3.41Å; L457-W490 HydrophobicContact CB-CB 4.37Å; L457-W490 HydrophobicContact CB-CD2 4.33Å; L457-W490 HydrophobicContact CB-CG 4.22Å; L457-W490 HydrophobicContact CD2-CD2 4.26Å; L457-W490 HydrophobicContact CD2-CE3 3.84Å; L457-W490 HydrophobicContact CD2-CH2 4.46Å; L457-W490 HydrophobicContact CD2-CZ3 3.95Å; L457-W490 PolarHBondContact O-NE1 3.28Å; L457-W490 VanDerWaalsContact O-NE1 3.12Å; A459-W490 HydrophobicContact CB-CH2 3.89Å; A459-W490 HydrophobicContact CB-CZ2 4.17Å; I469-W490 HydrophobicContact CG2-CH2 4.15Å; I469-W490 HydrophobicContact CG2-CZ3 3.92Å; F470-W490 AromaticContact CD1-CZ3 3.96Å; F470-W490 HydrophobicContact CD1-CZ3 3.96Å; F470-W490 HydrophobicContact CE1-CH2 4.12Å; F470-W490 AromaticContact CE1-CZ3 3.79Å; F470-W490 HydrophobicContact CE1-CZ3 3.79Å; V486-W490 WeakPolarHBondContact O-CB 3.38Å; V486-W490 PolarHBondContact O-N 3.03Å; Y487-W490 PolarHBondContact O-N 2.85Å; W490-R492 PolarHBondContact O-N 3.26Å; W490-Y493 PolarHBondContact O-N 3.34Å; W490-T494 VanDerWaalsContact CD1-OG1 3.25Å; W490-T494 PolarHBondContact NE1-OG1 3.38Å; W490-T494 PolarHBondContact O-N 3.1Å; W490-T494 VanDerWaalsContact O-N 3.09Å; W490-P505 HydrophobicContact CB-CB 4.43Å; W490-P505 HydrophobicContact CD2-CB 3.29Å; W490-P505 HydrophobicContact CD2-CG 4.06Å; W490-P505 HydrophobicContact CE3-CB 3.39Å; W490-P505 HydrophobicContact CE3-CG 3.8Å; W490-P505 HydrophobicContact CG-CB 3.76Å; W490-P505 HydrophobicContact CG-CG 4.41Å; W490-P505 HydrophobicContact CH2-CB 4.21Å; W490-P505 HydrophobicContact CZ2-CB 4.1Å; W490-P505 HydrophobicContact CZ3-CB 3.86Å; W490-P505 HydrophobicContact CZ3-CG 4.38Å; W490-R506 VanDerWaalsContact CZ2-O 3.22Å; W490-R506 WeakPolarHBondContact CZ2-O 3.4Å; W490-V507 HydrophobicContact CH2-CG2 3.85Å; W490-V507 HydrophobicContact CZ2-CG2 4.43Å
491I98.1Very high95.7Very high31 Ų3159.1 Ų59.116%0.15933%0.331CS..Hα-helixtrans-58.9-23.5-179.9-161.9171.7000113.4Y487 D488 N489 Y493 N495 L503 P505Y487-I491 PolarHBondContact O-N 2.85Å; Y487-I491 VanDerWaalsContact O-N 3.1Å; D488-I491 WeakPolarHBondContact O-CG2 3.28Å; N489-I491 PolarHBondContact O-N 3.39Å; I491-Y493 VanDerWaalsContact C-N 3.33Å; I491-N495 HydrophobicContact CG1-CB 3.88Å; I491-N495 WeakPolarHBondContact O-CB 3.3Å; I491-N495 PolarHBondContact O-ND2 3.48Å; I491-L503 HydrophobicContact CD1-CD2 4.24Å; I491-L503 HydrophobicContact CD1-CG 4.05Å; I491-L503 WeakPolarHBondContact CD1-O 3.38Å; I491-L503 HydrophobicContact CG1-CD2 4.47Å; I491-L503 HydrophobicContact CG1-CG 4.38Å; I491-P505 HydrophobicContact CB-CG 4.06Å; I491-P505 HydrophobicContact CG1-CG 4.48Å
492R97.2Very high96.1Very high155 Ų15557.4 Ų57.459%0.58533%0.329SS*.Hα-helixtrans-73.7-25.7178.5-57.9171.9-167.3-176.61.1112.6D488 N489 W490D488-R492 WeakPolarHBondContact O-CD 3.47Å; D488-R492 WeakPolarHBondContact O-CG 3.29Å; D488-R492 PolarHBondContact O-NE 3.49Å; N489-R492 VanDerWaalsContact O-CB 3.3Å; N489-R492 WeakPolarHBondContact O-CB 3.21Å; N489-R492 PolarHBondContact O-N 3.08Å; W490-R492 PolarHBondContact O-N 3.26Å
493Y97.5Very high96.7Very high85 Ų8557.6 Ų57.633%0.33332%0.317SS..Hα-helixtrans-98.2-47.4-178-68.9-94.1000111.8A455 T456 N489 W490 I491 D536A455-Y493 HydrophobicContact CB-CE1 4.22Å; T456-Y493 VanDerWaalsContact CB-CD2 3.42Å; T456-Y493 HydrophobicContact CG2-CD1 4.07Å; T456-Y493 HydrophobicContact CG2-CD2 4.11Å; T456-Y493 HydrophobicContact CG2-CG 3.7Å; T456-Y493 VanDerWaalsContact OG1-CD2 3.26Å; T456-Y493 WeakPolarHBondContact OG1-CD2 3.36Å; N489-Y493 WeakPolarHBondContact O-CD2 3.23Å; W490-Y493 PolarHBondContact O-N 3.34Å; I491-Y493 VanDerWaalsContact C-N 3.33Å; Y493-D536 HydrophobicContact CD1-CB 4.25Å; Y493-D536 HydrophobicContact CE1-CB 3.81Å
494T96.4Very high97.2Very high56 Ų5652 Ų5234%0.34428%0.277SS..SBendtrans-138.5115-177.561.60000110.5W490 P505 R506W490-T494 VanDerWaalsContact CD1-OG1 3.25Å; W490-T494 PolarHBondContact NE1-OG1 3.38Å; W490-T494 PolarHBondContact O-N 3.1Å; W490-T494 VanDerWaalsContact O-N 3.09Å; T494-P505 WeakPolarHBondContact O-CA 3.4Å; T494-R506 PolarHBondContact O-N 3.12Å
495N97.4Very high97.2Very high64 Ų6451 Ų5134%0.34227%0.271SS..EExtended strand (participates in β ladder)trans-134.8167.6179.858.459.4000112.3I491 L503 I504 R506I491-N495 HydrophobicContact CG1-CB 3.88Å; I491-N495 WeakPolarHBondContact O-CB 3.3Å; I491-N495 PolarHBondContact O-ND2 3.48Å; N495-L503 HydrophobicContact CB-CD1 3.95Å; N495-L503 HydrophobicContact CB-CG 4.27Å; N495-I504 CarbonylContact C-O 3.59Å; N495-I504 WeakPolarHBondContact CA-O 3.46Å; N495-I504 VanDerWaalsContact CB-O 3.27Å; N495-I504 WeakPolarHBondContact CB-O 3.3Å; N495-R506 PolarHBondContact O-NE 2.7Å; N495-R506 VanDerWaalsContact O-NE 3.1Å; N495-R506 PolarHBondContact O-NH2 2.93Å
496R96.4Very high97.2Very high33 Ų3356.7 Ų56.713%0.12529%0.291CS..EExtended strand (participates in β ladder)trans-144.2154.517069-178.4-167.784.7-3.7109.1I504 E598R496-I504 HydrophobicContact CG-CD1 4.33Å; R496-I504 HydrophobicContact CG-CG1 3.93Å; R496-I504 PolarHBondContact N-O 3.22Å; R496-I504 PolarHBondContact O-N 3.3Å; R496-E598 IonicContact CZ-OE1 2.69Å; R496-E598 IonicContact NH1-OE1 2.97Å; R496-E598 PolarHBondContact NH1-OE1 3.1Å; R496-E598 IonicContact NH2-OE1 3.38Å; R496-E598 PolarHBondContact NH2-OE1 3.01Å
497T97.1Very high97.1Very high111 Ų11157.3 Ų57.368%0.68130%0.295SS*.EExtended strand (participates in β ladder)trans-90.7115.2170.3-54.60000108.5
498S96.4Very high97Very high2 Ų257 Ų571%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-87.5133.2168.5161.10000109.2T500 H501 G502 E598S498-T500 PolarHBondContact O-N 3.37Å; S498-T500 PolarHBondContact OG-N 3.12Å; S498-H501 PolarHBondContact OG-CD2 3.49Å; S498-H501 PolarHBondContact OG-N 3.42Å; S498-G502 PolarHBondContact N-O 2.87Å; S498-G502 WeakPolarHBondContact O-CA 3.45Å; S498-G502 PolarHBondContact O-N 3.01Å; S498-E598 VanDerWaalsContact CB-OE1 3.26Å; S498-E598 WeakPolarHBondContact CB-OE1 3.39Å; S498-E598 VanDerWaalsContact OG-CD 3.25Å; S498-E598 PolarHBondContact OG-OE1 3.45Å; S498-E598 VanDerWaalsContact OG-OE1 3.05Å; S498-E598 PolarHBondContact OG-OE2 2.7Å
499P93.9Very high96.9Very high119 Ų11956.7 Ų56.777%0.77330%0.295SS*.THydrogen-bonded Turntrans-55.8-30.9168.6-26.835.1000113.2
500T92.6Very high96.7Very high76 Ų7656.7 Ų56.747%0.46629%0.294SS..THydrogen-bonded Turntrans-86.5-44-176.9-46.10000112.6S498 E598S498-T500 PolarHBondContact O-N 3.37Å; S498-T500 PolarHBondContact OG-N 3.12Å; T500-E598 WeakPolarHBondContact CB-OE2 3.36Å; T500-E598 PolarHBondContact N-OE2 2.7Å; T500-E598 PolarHBondContact OG1-OE2 2.89Å
501H95.3Very high96.2Very high85 Ų8559.2 Ų59.239%0.39431%0.308SS..THydrogen-bonded Turntrans-111.6-3.3-166.4-54.6-68.8000114S498 I504 D595S498-H501 PolarHBondContact OG-CD2 3.49Å; S498-H501 PolarHBondContact OG-N 3.42Å; H501-I504 HydrophobicContact CB-CG2 3.64Å; H501-D595 IonicContact CD2-OD1 3.47Å; H501-D595 IonicContact CE1-OD1 3.38Å; H501-D595 IonicContact NE2-OD1 3.33Å; H501-D595 PolarHBondContact NE2-OD1 3.09Å
502G96.9Very high95.7Very high32 Ų3258.5 Ų58.533%0.3331%0.308SS..EExtended strand (participates in β ladder)trans71.8-143.3-172.700000112S498 I504S498-G502 PolarHBondContact N-O 2.87Å; S498-G502 WeakPolarHBondContact O-CA 3.45Å; S498-G502 PolarHBondContact O-N 3.01Å; G502-I504 PolarHBondContact O-N 3.32Å
503L98Very high95.4Very high97 Ų9753.1 Ų53.151%0.50830%0.297SS..EExtended strand (participates in β ladder)trans-74.5120.2179.4-167.672.1000110.3I491 N495I491-L503 HydrophobicContact CD1-CD2 4.24Å; I491-L503 HydrophobicContact CD1-CG 4.05Å; I491-L503 WeakPolarHBondContact CD1-O 3.38Å; I491-L503 HydrophobicContact CG1-CD2 4.47Å; I491-L503 HydrophobicContact CG1-CG 4.38Å; N495-L503 HydrophobicContact CB-CD1 3.95Å; N495-L503 HydrophobicContact CB-CG 4.27Å
504I98.2Very high95Very high5 Ų551.9 Ų51.93%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-134.1160.2179.856.5170.3000110.8F470 N495 R496 H501 G502F470-I504 HydrophobicContact CE2-CB 3.91Å; F470-I504 HydrophobicContact CE2-CD1 3.91Å; F470-I504 HydrophobicContact CE2-CG1 4.44Å; F470-I504 HydrophobicContact CE2-CG2 4.22Å; F470-I504 HydrophobicContact CZ-CB 4.13Å; F470-I504 HydrophobicContact CZ-CD1 4.12Å; F470-I504 HydrophobicContact CZ-CG1 4.49Å; N495-I504 CarbonylContact C-O 3.59Å; N495-I504 WeakPolarHBondContact CA-O 3.46Å; N495-I504 VanDerWaalsContact CB-O 3.27Å; N495-I504 WeakPolarHBondContact CB-O 3.3Å; R496-I504 HydrophobicContact CG-CD1 4.33Å; R496-I504 HydrophobicContact CG-CG1 3.93Å; R496-I504 PolarHBondContact N-O 3.22Å; R496-I504 PolarHBondContact O-N 3.3Å; H501-I504 HydrophobicContact CB-CG2 3.64Å; G502-I504 PolarHBondContact O-N 3.32Å
505P98.4Very high95.1Very high0 Ų049.3 Ų49.30%029%0.294CS..EExtended strand (participates in β ladder)trans-57.2147.7169.9-17.226.2000111.7F470 Y487 W490 I491 T494 V507F470-P505 HydrophobicContact CD1-CG 4.46Å; F470-P505 HydrophobicContact CE1-CB 4.01Å; F470-P505 HydrophobicContact CE1-CG 4.03Å; F470-P505 HydrophobicContact CZ-CB 4.36Å; F470-P505 HydrophobicContact CZ-CG 4.35Å; F470-P505 WeakPolarHBondContact CZ-O 3.4Å; Y487-P505 HydrophobicContact CD2-CG 3.65Å; Y487-P505 HydrophobicContact CE1-CG 4.38Å; Y487-P505 HydrophobicContact CE2-CG 3.4Å; Y487-P505 VanDerWaalsContact CE2-CG 3.4Å; Y487-P505 HydrophobicContact CG-CG 4.24Å; Y487-P505 VanDerWaalsContact OH-CD 3.31Å; Y487-P505 WeakPolarHBondContact OH-CD 3.41Å; W490-P505 HydrophobicContact CB-CB 4.43Å; W490-P505 HydrophobicContact CD2-CB 3.29Å; W490-P505 HydrophobicContact CD2-CG 4.06Å; W490-P505 HydrophobicContact CE3-CB 3.39Å; W490-P505 HydrophobicContact CE3-CG 3.8Å; W490-P505 HydrophobicContact CG-CB 3.76Å; W490-P505 HydrophobicContact CG-CG 4.41Å; W490-P505 HydrophobicContact CH2-CB 4.21Å; W490-P505 HydrophobicContact CZ2-CB 4.1Å; W490-P505 HydrophobicContact CZ3-CB 3.86Å; W490-P505 HydrophobicContact CZ3-CG 4.38Å; I491-P505 HydrophobicContact CB-CG 4.06Å; I491-P505 HydrophobicContact CG1-CG 4.48Å; T494-P505 WeakPolarHBondContact O-CA 3.4Å; P505-V507 PolarHBondContact O-N 2.95Å
506R97.5Very high95.1Very high132 Ų13246.3 Ų46.350%0.49828%0.278SS..  trans-85.6108.7177.4-179178.3-64.6-93-1110.2W490 T494 N495W490-R506 VanDerWaalsContact CZ2-O 3.22Å; W490-R506 WeakPolarHBondContact CZ2-O 3.4Å; T494-R506 PolarHBondContact O-N 3.12Å; N495-R506 PolarHBondContact O-NE 2.7Å; N495-R506 VanDerWaalsContact O-NE 3.1Å; N495-R506 PolarHBondContact O-NH2 2.93Å
507V98Very high95.2Very high13 Ų1345.9 Ų45.98%0.07928%0.277CS..  trans-81.5127.6161.7-164.40000108.2A459 A461 Q466 I469 F470 W490 P505A459-V507 HydrophobicContact CB-CG1 4.45Å; A459-V507 CarbonylContact O-C 3.55Å; A459-V507 WeakPolarHBondContact O-CA 3.47Å; A461-V507 HydrophobicContact CB-CG1 3.92Å; Q466-V507 HydrophobicContact CG-CG2 4.09Å; I469-V507 HydrophobicContact CD1-CG1 4.15Å; F470-V507 HydrophobicContact CE1-CG2 3.66Å; F470-V507 HydrophobicContact CZ-CG2 3.98Å; W490-V507 HydrophobicContact CH2-CG2 3.85Å; W490-V507 HydrophobicContact CZ2-CG2 4.43Å; P505-V507 PolarHBondContact O-N 2.95Å
508G96.2Very high95.3Very high24 Ų2440.6 Ų40.625%0.24724%0.244CC..BIsolated β-bridgetrans-74.7177170.900000112.3A459 S460 A461A459-G508 PolarHBondContact O-N 3.23Å; S460-G508 CarbonylContact C-O 3.06Å; S460-G508 VanDerWaalsContact CA-O 3.25Å; S460-G508 WeakPolarHBondContact CA-O 3.2Å; A461-G508 PolarHBondContact N-O 3.38Å
509Y95.4Very high95.3Very high67 Ų6740.5 Ų40.526%0.26324%0.244SC..  trans-111.8148.1174.4-54.9-61.5000110.3P463 N511 S599 Y603 W687P463-Y509 HydrophobicContact CG-CE1 4.01Å; Y509-N511 VanDerWaalsContact C-N 3.27Å; Y509-N511 WeakPolarHBondContact CB-OD1 3.39Å; Y509-N511 PolarHBondContact O-N 2.99Å; Y509-S599 WeakPolarHBondContact OH-CB 3.29Å; Y509-S599 PolarHBondContact OH-OG 3.14Å; Y509-S599 VanDerWaalsContact OH-OG 3.06Å; Y509-Y603 HydrophobicContact CD2-CE1 4.38Å; Y509-Y603 AromaticContact CE2-CE1 3.95Å; Y509-Y603 HydrophobicContact CE2-CE1 3.95Å; Y509-W687 HydrophobicContact CD1-CE3 4.27Å; Y509-W687 AromaticContact CD1-CH2 3.77Å; Y509-W687 HydrophobicContact CD1-CH2 3.77Å; Y509-W687 HydrophobicContact CD1-CZ2 4.42Å; Y509-W687 AromaticContact CD1-CZ3 3.67Å; Y509-W687 HydrophobicContact CD1-CZ3 3.67Å; Y509-W687 AromaticContact CD2-CZ3 3.93Å; Y509-W687 HydrophobicContact CD2-CZ3 3.93Å; Y509-W687 AromaticContact CE1-CH2 3.78Å; Y509-W687 HydrophobicContact CE1-CH2 3.78Å; Y509-W687 HydrophobicContact CE1-CZ3 4Å; Y509-W687 HydrophobicContact CE2-CZ3 4.24Å; Y509-W687 HydrophobicContact CG-CE3 4.04Å; Y509-W687 HydrophobicContact CG-CH2 4.22Å; Y509-W687 AromaticContact CG-CZ3 3.62Å; Y509-W687 HydrophobicContact CG-CZ3 3.62Å
510L95.6Very high95.5Very high3 Ų334.9 Ų34.92%0.01621%0.207CC..  trans-82.968.6179.8-64.3174.9000110.7M462 G512 Y517 V521 H522 S528 D530M462-L510 HydrophobicContact SD-CD1 3.99Å; L510-G512 PolarHBondContact O-N 3.35Å; L510-Y517 HydrophobicContact CB-CD2 4.01Å; L510-Y517 HydrophobicContact CB-CE2 3.88Å; L510-Y517 HydrophobicContact CD1-CD2 4.08Å; L510-Y517 HydrophobicContact CD1-CG 4.26Å; L510-Y517 HydrophobicContact CD2-CD1 4.08Å; L510-Y517 HydrophobicContact CD2-CD2 3.87Å; L510-Y517 HydrophobicContact CD2-CE1 3.93Å; L510-Y517 HydrophobicContact CD2-CE2 3.72Å; L510-Y517 HydrophobicContact CD2-CG 4.06Å; L510-Y517 HydrophobicContact CG-CD2 4.2Å; L510-Y517 HydrophobicContact CG-CE2 4.27Å; L510-V521 HydrophobicContact CB-CG2 4.28Å; L510-V521 HydrophobicContact CD1-CG2 3.83Å; L510-H522 PolarHBondContact O-CE1 3.42Å; L510-H522 PolarHBondContact O-NE2 3.37Å; L510-S528 WeakPolarHBondContact CD1-O 3.24Å; L510-D530 HydrophobicContact CD2-CB 3.76Å
511N87.8Confident95.8Very high54 Ų5431.2 Ų31.229%0.28919%0.185SC..  trans-91.921.5-168.8-66.82.5000115.4Y509 Y603 W687 S689Y509-N511 VanDerWaalsContact C-N 3.27Å; Y509-N511 WeakPolarHBondContact CB-OD1 3.39Å; Y509-N511 PolarHBondContact O-N 2.99Å; N511-Y603 PolarHBondContact ND2-OH 3.45Å; N511-W687 VanDerWaalsContact CA-O 3.22Å; N511-W687 WeakPolarHBondContact CA-O 2.95Å; N511-S689 WeakPolarHBondContact O-CA 3.4Å; N511-S689 WeakPolarHBondContact O-CB 3.28Å; N511-S689 PolarHBondContact O-OG 3.32Å
512G87.6Confident95.9Very high15 Ų1527.2 Ų27.216%0.15517%0.166CC..SBendtrans-164.9-165.7-174.900000113.1L510 Y517 H522L510-G512 PolarHBondContact O-N 3.35Å; G512-Y517 WeakPolarHBondContact O-CE2 3.44Å; G512-H522 PolarHBondContact O-CD2 3Å; G512-H522 PolarHBondContact O-NE2 3.06Å
513A90.6Very high95.9Very high43 Ų4326.4 Ų26.436%0.35515%0.153SC..  trans-117.652.6-17800000111.2F256 L423 A518 F682F256-A513 HydrophobicContact CD1-CB 3.88Å; F256-A513 HydrophobicContact CE1-CB 4.48Å; L423-A513 HydrophobicContact CD1-CB 3.97Å; A513-A518 HydrophobicContact CB-CB 3.71Å; A513-F682 HydrophobicContact CB-CZ 4.04Å
514G89.8Confident95.9Very high59 Ų5921.8 Ų21.861%0.60813%0.129SC*.SBendtrans-88.2-1.5-175.100000115.5Y517G514-Y517 PolarHBondContact N-OH 3.12Å
515S97.8Very high95.8Very high2 Ų221.6 Ų21.61%0.01413%0.128CC..SBendtrans-172.2-179.1173.5-172.30000108.9L423 N446 D448 Y517 A518L423-S515 WeakPolarHBondContact CD1-O 3.3Å; N446-S515 WeakPolarHBondContact ND2-CB 3.39Å; N446-S515 PolarHBondContact ND2-OG 2.83Å; D448-S515 WeakPolarHBondContact CB-OG 3.31Å; D448-S515 VanDerWaalsContact OD2-CB 3.27Å; D448-S515 WeakPolarHBondContact OD2-CB 3.25Å; D448-S515 PolarHBondContact OD2-OG 3Å; S515-Y517 PolarHBondContact O-N 2.95Å; S515-A518 PolarHBondContact O-N 3.35Å; S515-A518 VanDerWaalsContact O-N 3.1Å
516D98.5Very high95.8Very high0 Ų021.6 Ų21.60%013%0.128CC..THydrogen-bonded Turntrans-56-19.8-171.6-66.3-68.2000115.7H371 W416 S426 Y444 A518 F520H371-D516 WeakPolarHBondContact CB-OD2 3.29Å; H371-D516 IonicContact CD2-OD2 3.07Å; H371-D516 PolarHBondContact N-OD2 3.15Å; W416-D516 HydrophobicContact CG-CB 4.44Å; S426-D516 WeakPolarHBondContact CB-OD1 3.37Å; S426-D516 WeakPolarHBondContact OG-CB 3.36Å; S426-D516 PolarHBondContact OG-OD1 3.27Å; Y444-D516 WeakPolarHBondContact OH-CB 3.28Å; D516-A518 PolarHBondContact O-N 2.73Å; D516-A518 VanDerWaalsContact O-N 3.09Å; D516-F520 VanDerWaalsContact O-CD2 3.28Å; D516-F520 WeakPolarHBondContact O-CD2 2.86Å
517Y98.3Very high95.9Very high25 Ų2515.3 Ų15.310%0.09810%0.104CC..Hα-helixtrans-58.9-21.617563.1-101.5000112.8Y444 N446 L510 G512 G514 S515 A519 F520 V521 D530Y444-Y517 VanDerWaalsContact CE1-CA 3.45Å; N446-Y517 HydrophobicContact CB-CD1 4.27Å; L510-Y517 HydrophobicContact CB-CD2 4.01Å; L510-Y517 HydrophobicContact CB-CE2 3.88Å; L510-Y517 HydrophobicContact CD1-CD2 4.08Å; L510-Y517 HydrophobicContact CD1-CG 4.26Å; L510-Y517 HydrophobicContact CD2-CD1 4.08Å; L510-Y517 HydrophobicContact CD2-CD2 3.87Å; L510-Y517 HydrophobicContact CD2-CE1 3.93Å; L510-Y517 HydrophobicContact CD2-CE2 3.72Å; L510-Y517 HydrophobicContact CD2-CG 4.06Å; L510-Y517 HydrophobicContact CG-CD2 4.2Å; L510-Y517 HydrophobicContact CG-CE2 4.27Å; G512-Y517 WeakPolarHBondContact O-CE2 3.44Å; G514-Y517 PolarHBondContact N-OH 3.12Å; S515-Y517 PolarHBondContact O-N 2.95Å; Y517-A519 PolarHBondContact O-N 2.96Å; Y517-F520 PolarHBondContact O-N 3.11Å; Y517-V521 HydrophobicContact CD2-CG2 4.13Å; Y517-V521 WeakPolarHBondContact O-CG2 3.07Å; Y517-V521 PolarHBondContact O-N 3.08Å; Y517-D530 HydrophobicContact CD1-CB 3.95Å; Y517-D530 HydrophobicContact CE1-CB 4.01Å
518A97.7Very high95.9Very high0 Ų014.7 Ų14.70%010%0.1CC..Hα-helixtrans-53.7-49.1-172.600000112.9F256 L423 A513 S515 D516 V521 H522F256-A518 HydrophobicContact CD1-CB 4.35Å; F256-A518 HydrophobicContact CE1-CB 4.29Å; L423-A518 HydrophobicContact CD1-CB 3.33Å; A513-A518 HydrophobicContact CB-CB 3.71Å; S515-A518 PolarHBondContact O-N 3.35Å; S515-A518 VanDerWaalsContact O-N 3.1Å; D516-A518 PolarHBondContact O-N 2.73Å; D516-A518 VanDerWaalsContact O-N 3.09Å; A518-V521 PolarHBondContact O-N 2.85Å; A518-H522 VanDerWaalsContact O-CB 3.27Å; A518-H522 WeakPolarHBondContact O-CB 3.01Å; A518-H522 PolarHBondContact O-CD2 3.46Å; A518-H522 VanDerWaalsContact O-CD2 3.25Å; A518-H522 PolarHBondContact O-N 2.75Å
519A97.3Very high96Very high0 Ų013.5 Ų13.50%09%0.089CC..Iπ-helixtrans-70.4-33.5-179.900000111.9F256 A427 T430 Y517 Y523 L524F256-A519 HydrophobicContact CE2-CB 3.87Å; A427-A519 HydrophobicContact CB-CB 4.32Å; T430-A519 HydrophobicContact CG2-CB 3.75Å; T430-A519 WeakPolarHBondContact OG1-CB 3.45Å; Y517-A519 PolarHBondContact O-N 2.96Å; A519-Y523 VanDerWaalsContact O-CB 3.26Å; A519-Y523 WeakPolarHBondContact O-CB 3.21Å; A519-Y523 PolarHBondContact O-N 3.26Å; A519-L524 PolarHBondContact O-N 2.97Å; A519-L524 VanDerWaalsContact O-N 3.08Å
520F98.6Very high96.2Very high0 Ų011 Ų110%08%0.079CC..Iπ-helixtrans-66.1-44.3174.8-64.4-84.6000111.5I367 W416 Y429 T430 Y444 D516 Y517 L524 G525 I526I367-F520 HydrophobicContact CD1-CE1 3.94Å; W416-F520 HydrophobicContact CH2-CZ 4.05Å; W416-F520 HydrophobicContact CZ2-CE2 4.08Å; W416-F520 AromaticContact CZ2-CZ 3.74Å; W416-F520 HydrophobicContact CZ2-CZ 3.74Å; Y429-F520 HydrophobicContact CD1-CZ 4.33Å; T430-F520 HydrophobicContact CG2-CD1 4.06Å; T430-F520 HydrophobicContact CG2-CD2 4.36Å; T430-F520 HydrophobicContact CG2-CE1 3.9Å; T430-F520 HydrophobicContact CG2-CE2 4.21Å; T430-F520 HydrophobicContact CG2-CG 4.29Å; T430-F520 HydrophobicContact CG2-CZ 3.97Å; Y444-F520 HydrophobicContact CD1-CB 4.15Å; Y444-F520 AromaticContact CD1-CD2 3.77Å; Y444-F520 HydrophobicContact CD1-CD2 3.77Å; Y444-F520 HydrophobicContact CD1-CE2 4.41Å; Y444-F520 HydrophobicContact CD1-CG 4Å; Y444-F520 HydrophobicContact CD2-CD1 4.08Å; Y444-F520 AromaticContact CD2-CD2 3.83Å; Y444-F520 HydrophobicContact CD2-CD2 3.83Å; Y444-F520 HydrophobicContact CD2-CE1 4.05Å; Y444-F520 AromaticContact CD2-CE2 3.79Å; Y444-F520 HydrophobicContact CD2-CE2 3.79Å; Y444-F520 AromaticContact CD2-CG 3.99Å; Y444-F520 HydrophobicContact CD2-CG 3.99Å; Y444-F520 AromaticContact CD2-CZ 3.91Å; Y444-F520 HydrophobicContact CD2-CZ 3.91Å; Y444-F520 AromaticContact CE1-CD2 3.81Å; Y444-F520 HydrophobicContact CE1-CD2 3.81Å; Y444-F520 HydrophobicContact CE1-CE2 4.17Å; Y444-F520 HydrophobicContact CE1-CG 4.5Å; Y444-F520 AromaticContact CE2-CD2 3.89Å; Y444-F520 HydrophobicContact CE2-CD2 3.89Å; Y444-F520 HydrophobicContact CE2-CE1 4.47Å; Y444-F520 AromaticContact CE2-CE2 3.54Å; Y444-F520 HydrophobicContact CE2-CE2 3.54Å; Y444-F520 AromaticContact CE2-CZ 3.88Å; Y444-F520 HydrophobicContact CE2-CZ 3.88Å; Y444-F520 HydrophobicContact CG-CB 4.11Å; Y444-F520 HydrophobicContact CG-CD1 4.12Å; Y444-F520 AromaticContact CG-CD2 3.79Å; Y444-F520 HydrophobicContact CG-CD2 3.79Å; Y444-F520 HydrophobicContact CG-CE2 4.24Å; Y444-F520 AromaticContact CG-CG 3.73Å; Y444-F520 HydrophobicContact CG-CG 3.73Å; Y444-F520 AromaticContact CZ-CD2 3.89Å; Y444-F520 AromaticContact CZ-CE2 3.76Å; D516-F520 VanDerWaalsContact O-CD2 3.28Å; D516-F520 WeakPolarHBondContact O-CD2 2.86Å; Y517-F520 PolarHBondContact O-N 3.11Å; F520-L524 CarbonylContact O-C 3.5Å; F520-L524 WeakPolarHBondContact O-CB 3.24Å; F520-G525 PolarHBondContact O-N 3.26Å; F520-I526 HydrophobicContact CB-CB 4.18Å; F520-I526 HydrophobicContact CB-CD1 4.45Å; F520-I526 HydrophobicContact CD1-CD1 3.77Å; F520-I526 WeakPolarHBondContact O-CB 3.41Å; F520-I526 PolarHBondContact O-N 2.79Å
521V97.6Very high96.3Very high0 Ų010.9 Ų10.90%08%0.079CC..Iπ-helixtrans-74.2-59.3-179.7175.60000111.8M462 L510 Y517 A518 G525M462-V521 HydrophobicContact CE-CB 3.95Å; M462-V521 HydrophobicContact CE-CG1 3.73Å; M462-V521 HydrophobicContact CE-CG2 3.33Å; M462-V521 HydrophobicContact SD-CG1 4.47Å; M462-V521 HydrophobicContact SD-CG2 4.28Å; L510-V521 HydrophobicContact CB-CG2 4.28Å; L510-V521 HydrophobicContact CD1-CG2 3.83Å; Y517-V521 HydrophobicContact CD2-CG2 4.13Å; Y517-V521 WeakPolarHBondContact O-CG2 3.07Å; Y517-V521 PolarHBondContact O-N 3.08Å; A518-V521 PolarHBondContact O-N 2.85Å; V521-G525 WeakPolarHBondContact O-CA 3.45Å; V521-G525 PolarHBondContact O-N 3.25Å
522H97.4Very high96.8Very high0 Ų08.3 Ų8.30%07%0.065CC..Iπ-helixtrans-84.1-33.3-162.6-60.8-53000112.5L510 G512 A518 G681 F682 R683 W687L510-H522 PolarHBondContact O-CE1 3.42Å; L510-H522 PolarHBondContact O-NE2 3.37Å; G512-H522 PolarHBondContact O-CD2 3Å; G512-H522 PolarHBondContact O-NE2 3.06Å; A518-H522 VanDerWaalsContact O-CB 3.27Å; A518-H522 WeakPolarHBondContact O-CB 3.01Å; A518-H522 PolarHBondContact O-CD2 3.46Å; A518-H522 VanDerWaalsContact O-CD2 3.25Å; A518-H522 PolarHBondContact O-N 2.75Å; H522-G681 CarbonylContact C-O 3.53Å; H522-F682 HydrophobicContact CB-CD1 3.86Å; H522-F682 HydrophobicContact CB-CE1 4.22Å; H522-F682 HydrophobicContact CB-CG 4.32Å; H522-F682 AromaticContact CD2-CD1 3.89Å; H522-F682 AromaticContact CD2-CE1 3.37Å; H522-F682 WeakPolarHBondContact CD2-CE1 3.24Å; H522-F682 AromaticContact CD2-CZ 3.95Å; H522-F682 AromaticContact CE1-CE1 3.82Å; H522-F682 AromaticContact CG-CD1 3.54Å; H522-F682 AromaticContact CG-CE1 3.53Å; H522-F682 AromaticContact ND1-CD1 3.75Å; H522-F682 AromaticContact ND1-CE1 3.81Å; H522-F682 AromaticContact NE2-CE1 3.56Å; H522-R683 WeakPolarHBondContact O-CB 3.22Å; H522-R683 PolarHBondContact O-N 2.94Å; H522-W687 PolarHBondContact CE1-O 3.13Å
523Y96.9Very high97.4Very high16 Ų167.6 Ų7.66%0.0636%0.058CC..Iπ-helixtrans-94.6-41.7-177.5-179.4-122000112.4Y263 E431 F434 A519 G681 R683Y263-Y523 AromaticContact CD1-CE2 3.66Å; Y263-Y523 HydrophobicContact CD1-CE2 3.66Å; Y263-Y523 HydrophobicContact CE1-CD2 4.49Å; Y263-Y523 HydrophobicContact CE1-CE2 4.02Å; E431-Y523 HydrophobicContact CG-CE1 3.97Å; F434-Y523 HydrophobicContact CD2-CD1 4.07Å; F434-Y523 AromaticContact CD2-CE1 3.37Å; F434-Y523 HydrophobicContact CD2-CE1 3.37Å; F434-Y523 HydrophobicContact CD2-CE2 4.38Å; F434-Y523 AromaticContact CD2-CZ 3.53Å; F434-Y523 HydrophobicContact CE2-CD1 4.19Å; F434-Y523 HydrophobicContact CE2-CD2 4.45Å; F434-Y523 AromaticContact CE2-CE1 3.76Å; F434-Y523 HydrophobicContact CE2-CE1 3.76Å; F434-Y523 HydrophobicContact CE2-CE2 4.05Å; F434-Y523 AromaticContact CE2-CZ 3.65Å; A519-Y523 VanDerWaalsContact O-CB 3.26Å; A519-Y523 WeakPolarHBondContact O-CB 3.21Å; A519-Y523 PolarHBondContact O-N 3.26Å; Y523-G681 VanDerWaalsContact CA-O 3.27Å; Y523-G681 WeakPolarHBondContact CA-O 3.32Å; Y523-G681 PolarHBondContact N-O 2.91Å; Y523-R683 VanDerWaalsContact CD2-CZ 3.45Å
524L98.1Very high97.7Very high0 Ų06.3 Ų6.30%05%0.046CC..THydrogen-bonded Turntrans-102.8-12.5-178.4-61.3-173000115.3T430 F434 L437 A519 F520 I526 R668T430-L524 HydrophobicContact CG2-CD1 3.66Å; T430-L524 HydrophobicContact CG2-CG 4.29Å; F434-L524 HydrophobicContact CB-CD2 4.49Å; F434-L524 HydrophobicContact CD2-CD2 3.2Å; F434-L524 HydrophobicContact CE2-CD2 3.41Å; F434-L524 VanDerWaalsContact CE2-CD2 3.41Å; F434-L524 HydrophobicContact CG-CD2 3.96Å; F434-L524 HydrophobicContact CZ-CD2 4.28Å; L437-L524 HydrophobicContact CB-CD1 3.71Å; L437-L524 HydrophobicContact CD1-CD1 4Å; A519-L524 PolarHBondContact O-N 2.97Å; A519-L524 VanDerWaalsContact O-N 3.08Å; F520-L524 CarbonylContact O-C 3.5Å; F520-L524 WeakPolarHBondContact O-CB 3.24Å; L524-I526 VanDerWaalsContact C-N 3.27Å; L524-I526 HydrophobicContact CB-CD1 3.68Å; L524-I526 HydrophobicContact CB-CG1 3.94Å; L524-I526 HydrophobicContact CD1-CD1 3.58Å; L524-I526 HydrophobicContact CG-CD1 4.3Å; L524-I526 PolarHBondContact O-N 3.28Å; L524-R668 WeakPolarHBondContact O-CD 3.45Å; L524-R668 PolarHBondContact O-NE 2.92Å
525G97.5Very high98.1Very high0 Ų04.1 Ų4.10%02%0.019CC..  trans6723.4-179.200000114.6F520 V521 D667 R668F520-G525 PolarHBondContact O-N 3.26Å; V521-G525 WeakPolarHBondContact O-CA 3.45Å; V521-G525 PolarHBondContact O-N 3.25Å; G525-D667 CarbonylContact O-C 3.35Å; G525-D667 WeakPolarHBondContact O-CB 3.42Å; G525-R668 VanDerWaalsContact O-CD 3.24Å; G525-R668 WeakPolarHBondContact O-CD 3.39Å; G525-R668 VanDerWaalsContact O-CZ 3.32Å; G525-R668 PolarHBondContact O-NE 2.77Å; G525-R668 PolarHBondContact O-NH1 3.12Å
526I98.7Very high98.1Very high0 Ų05.1 Ų5.10%02%0.024CC..  trans-76.6124.4-179.6-68.8162.8000109.9L437 T441 M462 F520 L524 S528 R668L437-I526 HydrophobicContact CB-CD1 4.35Å; T441-I526 HydrophobicContact CG2-CD1 3.92Å; T441-I526 HydrophobicContact CG2-CG1 4.22Å; T441-I526 HydrophobicContact CG2-CG2 3.63Å; M462-I526 WeakPolarHBondContact CE-O 3.44Å; F520-I526 HydrophobicContact CB-CB 4.18Å; F520-I526 HydrophobicContact CB-CD1 4.45Å; F520-I526 HydrophobicContact CD1-CD1 3.77Å; F520-I526 WeakPolarHBondContact O-CB 3.41Å; F520-I526 PolarHBondContact O-N 2.79Å; L524-I526 VanDerWaalsContact C-N 3.27Å; L524-I526 HydrophobicContact CB-CD1 3.68Å; L524-I526 HydrophobicContact CB-CG1 3.94Å; L524-I526 HydrophobicContact CD1-CD1 3.58Å; L524-I526 HydrophobicContact CG-CD1 4.3Å; L524-I526 PolarHBondContact O-N 3.28Å; I526-S528 PolarHBondContact O-N 2.92Å; I526-S528 PolarHBondContact O-OG 2.85Å; I526-R668 VanDerWaalsContact CG1-NH2 3.33Å
527T98.3Very high97.9Very high0 Ų011.6 Ų11.60%05%0.049CC..  trans-51.5117.8170.6-51.30000109.9G443 Y444 M462 S464 M465 F591 D667G443-T527 CarbonylContact C-O 3.59Å; G443-T527 WeakPolarHBondContact CA-O 3.3Å; Y444-T527 PolarHBondContact N-O 3.2Å; M462-T527 HydrophobicContact CB-CG2 3.96Å; S464-T527 WeakPolarHBondContact OG-CG2 3.29Å; M465-T527 HydrophobicContact CG-CG2 3.48Å; M465-T527 VanDerWaalsContact CG-CG2 3.48Å; M465-T527 HydrophobicContact SD-CG2 3.82Å; T527-F591 HydrophobicContact CG2-CE1 4.06Å; T527-F591 HydrophobicContact CG2-CE2 4.36Å; T527-F591 HydrophobicContact CG2-CZ 3.92Å; T527-D667 WeakPolarHBondContact CB-OD2 3.08Å; T527-D667 PolarHBondContact OG1-OD2 2.95Å
528S98.7Very high97.8Very high0 Ų015.2 Ų15.20%08%0.078CC..EExtended strand (participates in β ladder)trans-137163-168.6-54.90000113Y444 A461 M462 M465 L510 I526Y444-S528 CarbonylContact O-C 3.58Å; Y444-S528 WeakPolarHBondContact O-CA 3.4Å; A461-S528 VanDerWaalsContact CA-O 3.27Å; A461-S528 WeakPolarHBondContact CA-O 3.37Å; A461-S528 WeakPolarHBondContact CB-O 3.42Å; M462-S528 PolarHBondContact N-O 2.79Å; M462-S528 VanDerWaalsContact N-O 3.1Å; M465-S528 VanDerWaalsContact SD-C 3.52Å; L510-S528 WeakPolarHBondContact CD1-O 3.24Å; I526-S528 PolarHBondContact O-N 2.92Å; I526-S528 PolarHBondContact O-OG 2.85Å
529I98.7Very high97.7Very high0 Ų022.9 Ų22.90%011%0.111CC..EExtended strand (participates in β ladder)trans-139.5143.8175.2179.5163.2000110.7Y444 I445 N446 A459 S460 A461 M465 I469 M531 I579Y444-I529 PolarHBondContact O-N 3.43Å; I445-I529 HydrophobicContact CB-CG2 4.02Å; I445-I529 HydrophobicContact CG1-CG2 3.85Å; I445-I529 HydrophobicContact CG2-CG2 3.96Å; N446-I529 WeakPolarHBondContact CA-O 3.41Å; N446-I529 VanDerWaalsContact CB-O 3.25Å; N446-I529 WeakPolarHBondContact CB-O 3.23Å; N446-I529 PolarHBondContact N-O 3.1Å; A459-I529 HydrophobicContact CB-CD1 4.5Å; S460-I529 CarbonylContact O-C 3.53Å; S460-I529 WeakPolarHBondContact O-CA 3.47Å; A461-I529 HydrophobicContact CB-CB 3.89Å; A461-I529 HydrophobicContact CB-CD1 4.22Å; A461-I529 HydrophobicContact CB-CG1 3.94Å; M465-I529 HydrophobicContact CE-CB 4.1Å; M465-I529 HydrophobicContact CE-CG2 3.72Å; M465-I529 HydrophobicContact SD-CB 3.98Å; M465-I529 HydrophobicContact SD-CG2 4.16Å; I469-I529 HydrophobicContact CD1-CD1 3.34Å; I469-I529 HydrophobicContact CD1-CG1 4.4Å; I469-I529 HydrophobicContact CG1-CD1 3.38Å; I529-M531 HydrophobicContact CD1-CE 3.29Å; I529-M531 HydrophobicContact CG1-CE 3.83Å; I529-M531 HydrophobicContact CG2-CE 4.31Å; I529-I579 HydrophobicContact CD1-CD1 4.36Å
530D98.8Very high97.7Very high13 Ų1323.2 Ų23.27%0.0711%0.113CC..EExtended strand (participates in β ladder)trans-119.1134.3161.5-177.7-96.9000108.7N446 R458 A459 S460 L510 Y517N446-D530 HydrophobicContact CB-CB 4.29Å; N446-D530 PolarHBondContact ND2-OD2 3.02Å; N446-D530 WeakPolarHBondContact O-CA 3.45Å; R458-D530 IonicContact NH2-OD1 2.75Å; A459-D530 CarbonylContact C-O 3.53Å; A459-D530 VanDerWaalsContact CA-O 3.25Å; A459-D530 WeakPolarHBondContact CA-O 3.19Å; S460-D530 PolarHBondContact N-O 3.38Å; S460-D530 PolarHBondContact O-N 3.02Å; L510-D530 HydrophobicContact CD2-CB 3.76Å; Y517-D530 HydrophobicContact CD1-CB 3.95Å; Y517-D530 HydrophobicContact CE1-CB 4.01Å
531M98.5Very high97.4Very high1 Ų128.7 Ų28.71%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-144.9150.2179.174.1-179.671.200113.2I445 N446 V447 R458 A459 I529 T575 A576 I579I445-M531 HydrophobicContact CG2-CE 4.42Å; N446-M531 PolarHBondContact O-N 2.98Å; V447-M531 HydrophobicContact CG2-CG 3.99Å; R458-M531 WeakPolarHBondContact O-CA 3.48Å; A459-M531 HydrophobicContact CB-CB 4.09Å; I529-M531 HydrophobicContact CD1-CE 3.29Å; I529-M531 HydrophobicContact CG1-CE 3.83Å; I529-M531 HydrophobicContact CG2-CE 4.31Å; M531-T575 HydrophobicContact SD-CG2 4.3Å; M531-A576 HydrophobicContact CE-CB 4.35Å; M531-A576 HydrophobicContact SD-CB 3.69Å; M531-I579 HydrophobicContact CE-CD1 3.33Å; M531-I579 HydrophobicContact SD-CD1 4.24Å
532S98.7Very high97.3Very high0 Ų028.7 Ų28.70%014%0.142CC..EExtended strand (participates in β ladder)trans-159.5168.6176.274.50000111.3I449 S450 F452 L457 R458I449-S532 WeakPolarHBondContact O-CB 3.29Å; S450-S532 CarbonylContact O-C 3.49Å; S450-S532 VanDerWaalsContact O-CA 3.3Å; S450-S532 WeakPolarHBondContact O-CA 3.4Å; S450-S532 WeakPolarHBondContact O-CB 3.4Å; F452-S532 WeakPolarHBondContact CD2-OG 3.44Å; F452-S532 WeakPolarHBondContact CE2-OG 3.45Å; L457-S532 CarbonylContact C-O 3.54Å; L457-S532 WeakPolarHBondContact CD1-O 3.39Å; R458-S532 WeakPolarHBondContact CD-OG 3.44Å; R458-S532 WeakPolarHBondContact CG-OG 3.49Å; R458-S532 PolarHBondContact N-O 3.28Å; R458-S532 PolarHBondContact NE-OG 3.07Å; R458-S532 PolarHBondContact O-N 3.15Å; R458-S532 VanDerWaalsContact O-O 3.06Å
533Y98.7Very high97.2Very high1 Ų132.4 Ų32.40%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-86.9146.6158.4-110.4-106.9000110.2S450 F452 A453 T456 L457 P479 V486 A568 A571 V572S450-Y533 PolarHBondContact O-N 3.08Å; F452-Y533 WeakPolarHBondContact CD2-O 3.48Å; F452-Y533 PolarHBondContact N-O 3.46Å; A453-Y533 CarbonylContact O-C 3.56Å; A453-Y533 VanDerWaalsContact O-C 3.25Å; A453-Y533 WeakPolarHBondContact O-CB 3.23Å; T456-Y533 CarbonylContact O-C 3.54Å; T456-Y533 WeakPolarHBondContact O-CA 3.47Å; L457-Y533 HydrophobicContact CB-CD2 4.3Å; L457-Y533 HydrophobicContact CB-CE2 3.95Å; L457-Y533 HydrophobicContact CD1-CD2 3.9Å; L457-Y533 HydrophobicContact CD1-CE2 4.02Å; P479-Y533 WeakPolarHBondContact CD-OH 3.32Å; P479-Y533 HydrophobicContact CG-CD1 4.34Å; P479-Y533 HydrophobicContact CG-CE1 3.68Å; P479-Y533 HydrophobicContact CG-CE2 4.34Å; V486-Y533 HydrophobicContact CG1-CE2 4.24Å; Y533-A568 HydrophobicContact CD1-CB 4.06Å; Y533-A568 HydrophobicContact CG-CB 4.1Å; Y533-A571 HydrophobicContact CE2-CB 4.09Å; Y533-V572 HydrophobicContact CD2-CG2 3.67Å; Y533-V572 HydrophobicContact CG-CG2 4.32Å
534T98.4Very high97.2Very high16 Ų1632.8 Ų32.810%0.09816%0.16CC..EExtended strand (participates in β ladder)trans-141.4167.7-175.4-169.10000112.8A453 A455 T456 R458A453-T534 CarbonylContact O-C 3.46Å; A453-T534 PolarHBondContact O-N 3.22Å; A455-T534 WeakPolarHBondContact CB-O 3.35Å; A455-T534 PolarHBondContact N-O 2.95Å; A455-T534 VanDerWaalsContact N-O 3.09Å; T456-T534 HydrophobicContact CG2-CG2 3.81Å; T456-T534 PolarHBondContact N-O 3.09Å; T456-T534 VanDerWaalsContact N-O 3.07Å; T456-T534 PolarHBondContact O-N 2.69Å; R458-T534 HydrophobicContact CB-CG2 3.91Å; R458-T534 HydrophobicContact CG-CG2 4.03Å
535Y97.1Very high97.2Very high12 Ų1232.8 Ų32.85%0.04716%0.16CC..  trans-77.3160.717745.4-88.6000112.7W240 F452 A453 R537 T540 A542 R543 I544W240-Y535 HydrophobicContact CH2-CD1 4.18Å; W240-Y535 HydrophobicContact CH2-CD2 4.42Å; W240-Y535 HydrophobicContact CH2-CG 4.03Å; W240-Y535 HydrophobicContact CZ3-CD1 4.04Å; W240-Y535 HydrophobicContact CZ3-CG 4.27Å; F452-Y535 HydrophobicContact CB-CD1 4.13Å; F452-Y535 HydrophobicContact CB-CE1 4.12Å; A453-Y535 HydrophobicContact CB-CD1 4.16Å; A453-Y535 HydrophobicContact CB-CG 4.39Å; Y535-R537 VanDerWaalsContact CE2-CZ 3.42Å; Y535-R537 PolarHBondContact O-N 3.34Å; Y535-R537 PolarHBondContact OH-NH1 3Å; Y535-R537 PolarHBondContact OH-NH2 2.69Å; Y535-T540 HydrophobicContact CD2-CG2 3.46Å; Y535-T540 VanDerWaalsContact CD2-CG2 3.46Å; Y535-T540 HydrophobicContact CE2-CG2 3.99Å; Y535-T540 HydrophobicContact CG-CG2 4.19Å; Y535-A542 WeakPolarHBondContact CE2-O 3.35Å; Y535-A542 PolarHBondContact OH-O 2.9Å; Y535-R543 VanDerWaalsContact OH-C 3.27Å; Y535-R543 PolarHBondContact OH-O 3.26Å; Y535-R543 VanDerWaalsContact OH-O 3.1Å; Y535-I544 WeakPolarHBondContact OH-CA 3.2Å; Y535-I544 PolarHBondContact OH-N 3.36Å
536D97Very high97.3Very high24 Ų2432.9 Ų32.913%0.12816%0.16CC..  trans-77.8109.5175.3-177.2-8.7000110.6A455 Y493 S538 K539A455-D536 HydrophobicContact CB-CB 4.15Å; Y493-D536 HydrophobicContact CD1-CB 4.25Å; Y493-D536 HydrophobicContact CE1-CB 3.81Å; D536-S538 PolarHBondContact O-N 3.06Å; D536-S538 VanDerWaalsContact O-N 3.1Å; D536-S538 VanDerWaalsContact OD1-CB 3.31Å; D536-S538 WeakPolarHBondContact OD1-CB 3.14Å; D536-S538 PolarHBondContact OD1-N 2.83Å; D536-S538 PolarHBondContact OD1-OG 2.99Å; D536-S538 PolarHBondContact OD2-OG 2.92Å; D536-K539 HydrophobicContact CB-CB 4.44Å; D536-K539 HydrophobicContact CB-CD 4.08Å; D536-K539 HydrophobicContact CB-CG 4.17Å; D536-K539 PolarHBondContact O-N 3.06Å; D536-K539 VanDerWaalsContact OD2-CE 3.26Å; D536-K539 WeakPolarHBondContact OD2-CE 2.98Å; D536-K539 IonicContact OD2-NZ 3.15Å
537R94.4Very high97.2Very high135 Ų13533 Ų3351%0.50916%0.161SC..THydrogen-bonded Turntrans-61.9-15179-67.9-71.2-177.3178.5-5.4113.8Y535 K539 A542 R543Y535-R537 VanDerWaalsContact CE2-CZ 3.42Å; Y535-R537 PolarHBondContact O-N 3.34Å; Y535-R537 PolarHBondContact OH-NH1 3Å; Y535-R537 PolarHBondContact OH-NH2 2.69Å; R537-K539 VanDerWaalsContact C-N 3.3Å; R537-A542 PolarHBondContact NH1-O 2.89Å; R537-R543 PolarHBondContact NH2-O 3.2Å
538S96.3Very high97.3Very high102 Ų10234.4 Ų34.471%0.71317%0.166SC*.THydrogen-bonded Turntrans-78.4-13.9173.274.10000113.7D536D536-S538 PolarHBondContact O-N 3.06Å; D536-S538 VanDerWaalsContact O-N 3.1Å; D536-S538 VanDerWaalsContact OD1-CB 3.31Å; D536-S538 WeakPolarHBondContact OD1-CB 3.14Å; D536-S538 PolarHBondContact OD1-N 2.83Å; D536-S538 PolarHBondContact OD1-OG 2.99Å; D536-S538 PolarHBondContact OD2-OG 2.92Å
539K97Very high97.3Very high160 Ų16034.8 Ų34.870%0.69617%0.168SC*.THydrogen-bonded Turntrans-105.4-16.2-176.8-64.6-177.8-176.1172.40114D536 R537D536-K539 HydrophobicContact CB-CB 4.44Å; D536-K539 HydrophobicContact CB-CD 4.08Å; D536-K539 HydrophobicContact CB-CG 4.17Å; D536-K539 PolarHBondContact O-N 3.06Å; D536-K539 VanDerWaalsContact OD2-CE 3.26Å; D536-K539 WeakPolarHBondContact OD2-CE 2.98Å; D536-K539 IonicContact OD2-NZ 3.15Å; R537-K539 VanDerWaalsContact C-N 3.3Å
540T96.7Very high97.3Very high8 Ų834.9 Ų34.95%0.04917%0.169CC..  trans-155.4142.6-175.7-177.40000111.1D226 W240 Y535 A542D226-T540 WeakPolarHBondContact OD1-CA 3.26Å; D226-T540 PolarHBondContact OD1-OG1 3.18Å; D226-T540 WeakPolarHBondContact OD2-CA 3.33Å; D226-T540 WeakPolarHBondContact OD2-CB 3.22Å; D226-T540 PolarHBondContact OD2-OG1 2.92Å; W240-T540 HydrophobicContact CH2-CG2 3.82Å; W240-T540 HydrophobicContact CZ2-CG2 3.89Å; Y535-T540 HydrophobicContact CD2-CG2 3.46Å; Y535-T540 VanDerWaalsContact CD2-CG2 3.46Å; Y535-T540 HydrophobicContact CE2-CG2 3.99Å; Y535-T540 HydrophobicContact CG-CG2 4.19Å; T540-A542 HydrophobicContact CG2-CB 4.43Å; T540-A542 WeakPolarHBondContact OG1-CB 3.3Å; T540-A542 PolarHBondContact OG1-N 3.47Å; T540-A542 VanDerWaalsContact OG1-N 3.15Å
541N91.4Very high97.3Very high114 Ų11434.3 Ų34.361%0.6117%0.166SC*.  trans-91.83.1172.9-64.1-48.8000112.6D226 R543D226-N541 PolarHBondContact OD1-N 3.12Å; N541-R543 PolarHBondContact O-N 3.37Å
542A96.6Very high97.3Very high0 Ų034.2 Ų34.20%017%0.166CC..  trans-51.6121.7-177.100000111.7M224 W240 Y535 R537 T540 I544M224-A542 VanDerWaalsContact O-CB 3.29Å; M224-A542 WeakPolarHBondContact O-CB 3.42Å; M224-A542 HydrophobicContact SD-CB 4.46Å; W240-A542 HydrophobicContact CH2-CB 4.24Å; W240-A542 HydrophobicContact CZ2-CB 4.47Å; Y535-A542 WeakPolarHBondContact CE2-O 3.35Å; Y535-A542 PolarHBondContact OH-O 2.9Å; R537-A542 PolarHBondContact NH1-O 2.89Å; T540-A542 HydrophobicContact CG2-CB 4.43Å; T540-A542 WeakPolarHBondContact OG1-CB 3.3Å; T540-A542 PolarHBondContact OG1-N 3.47Å; T540-A542 VanDerWaalsContact OG1-N 3.15Å; A542-I544 VanDerWaalsContact C-N 3.3Å; A542-I544 WeakPolarHBondContact CB-O 3.28Å; A542-I544 PolarHBondContact O-N 3.18Å
543R95.1Very high97.3Very high78 Ų7834.4 Ų34.429%0.29417%0.166SC..SBendtrans-56.5-45.1-179.3178.3173.551.678.50.4112D223 E248 Y535 R537 N541D223-R543 PolarHBondContact O-N 3.44Å; E248-R543 IonicContact OE1-NH2 3.24Å; E248-R543 IonicContact OE2-CZ 2.68Å; E248-R543 IonicContact OE2-NH1 3.98Å; E248-R543 IonicContact OE2-NH2 3.54Å; E248-R543 PolarHBondContact OE2-NH2 3.11Å; Y535-R543 VanDerWaalsContact OH-C 3.27Å; Y535-R543 PolarHBondContact OH-O 3.26Å; Y535-R543 VanDerWaalsContact OH-O 3.1Å; R537-R543 PolarHBondContact NH2-O 3.2Å; N541-R543 PolarHBondContact O-N 3.37Å
544I97.1Very high97.3Very high25 Ų2534.4 Ų34.413%0.12817%0.166CC..SBendtrans-139.7-177.6174.8-173.5153.4000108.1M224 F452 Y535 A542 Y548M224-I544 HydrophobicContact CE-CG2 3.6Å; M224-I544 HydrophobicContact SD-CG2 3.95Å; F452-I544 HydrophobicContact CD1-CG1 4.05Å; F452-I544 HydrophobicContact CE1-CD1 3.91Å; F452-I544 HydrophobicContact CE1-CG1 3.91Å; Y535-I544 WeakPolarHBondContact OH-CA 3.2Å; Y535-I544 PolarHBondContact OH-N 3.36Å; A542-I544 VanDerWaalsContact C-N 3.3Å; A542-I544 WeakPolarHBondContact CB-O 3.28Å; A542-I544 PolarHBondContact O-N 3.18Å; I544-Y548 HydrophobicContact CD1-CD1 4.13Å; I544-Y548 HydrophobicContact CD1-CD2 3.43Å; I544-Y548 VanDerWaalsContact CD1-CD2 3.43Å; I544-Y548 HydrophobicContact CD1-CE1 4.2Å; I544-Y548 HydrophobicContact CD1-CE2 3.53Å; I544-Y548 HydrophobicContact CD1-CG 3.74Å; I544-Y548 HydrophobicContact CG1-CD2 4.09Å; I544-Y548 HydrophobicContact CG1-CG 4.06Å; I544-Y548 HydrophobicContact CG2-CD1 3.72Å; I544-Y548 HydrophobicContact CG2-CE1 4.45Å; I544-Y548 HydrophobicContact CG2-CG 3.81Å
545Y98.3Very high97.3Very high0 Ų035 Ų350%017%0.168CC..  trans-63.8137.4173.370.5-82.3000109.8I380 D381 I449 F452 A547 Y548 D553 Y557I380-Y545 HydrophobicContact CB-CD2 4.26Å; I380-Y545 HydrophobicContact CB-CE1 4.14Å; I380-Y545 HydrophobicContact CB-CE2 3.66Å; I380-Y545 HydrophobicContact CG1-CD2 4.26Å; I380-Y545 HydrophobicContact CG1-CE2 3.99Å; I380-Y545 HydrophobicContact CG2-CD1 3.84Å; I380-Y545 HydrophobicContact CG2-CD2 4.2Å; I380-Y545 HydrophobicContact CG2-CE1 3.55Å; I380-Y545 HydrophobicContact CG2-CE2 3.89Å; I380-Y545 HydrophobicContact CG2-CG 4.17Å; D381-Y545 HydrophobicContact CB-CE1 4.49Å; D381-Y545 WeakPolarHBondContact CB-OH 3.45Å; D381-Y545 PolarHBondContact N-OH 3.28Å; I449-Y545 HydrophobicContact CD1-CD1 4.47Å; I449-Y545 HydrophobicContact CD1-CE1 3.75Å; F452-Y545 AromaticContact CD1-CD1 3.86Å; F452-Y545 HydrophobicContact CD1-CD1 3.86Å; F452-Y545 HydrophobicContact CE1-CD1 4.37Å; Y545-A547 HydrophobicContact CD2-CB 4.29Å; Y545-A547 HydrophobicContact CE2-CB 4.28Å; Y545-A547 PolarHBondContact O-N 3.1Å; Y545-Y548 AromaticContact CE1-CD2 3.65Å; Y545-Y548 HydrophobicContact CE1-CD2 3.65Å; Y545-Y548 HydrophobicContact CE1-CG 4.21Å; Y545-Y548 VanDerWaalsContact CZ-CA 3.5Å; Y545-Y548 AromaticContact CZ-CD2 3.88Å; Y545-Y548 WeakPolarHBondContact O-CB 3.35Å; Y545-Y548 PolarHBondContact O-N 3.43Å; Y545-Y548 VanDerWaalsContact O-N 3.15Å; Y545-D553 PolarHBondContact OH-OD2 3.28Å; Y545-Y557 AromaticContact CD2-CE1 3.96Å; Y545-Y557 HydrophobicContact CD2-CE1 3.96Å
546P98.3Very high97.4Very high2 Ų236.5 Ų36.51%0.01318%0.177CC..THydrogen-bonded Turntrans-64.6-29.6-163.7-27.134.9000116.7M224 W240 Y241 L242 Y548 Y557M224-P546 HydrophobicContact CG-CB 3.77Å; M224-P546 HydrophobicContact CG-CG 4.23Å; M224-P546 HydrophobicContact SD-CB 4.5Å; W240-P546 HydrophobicContact CD2-CG 4.17Å; W240-P546 HydrophobicContact CE3-CG 4.31Å; W240-P546 HydrophobicContact CZ2-CG 4.5Å; W240-P546 VanDerWaalsContact O-CB 3.28Å; W240-P546 WeakPolarHBondContact O-CB 3.43Å; W240-P546 WeakPolarHBondContact O-CG 3.16Å; Y241-P546 HydrophobicContact CD1-CG 3.97Å; L242-P546 HydrophobicContact CB-CB 3.92Å; L242-P546 WeakPolarHBondContact CB-O 3.49Å; L242-P546 WeakPolarHBondContact CD1-O 3.17Å; L242-P546 VanDerWaalsContact N-CB 3.27Å; P546-Y548 PolarHBondContact O-N 3.07Å; P546-Y557 WeakPolarHBondContact CD-OH 3.31Å
547A98.1Very high97.4Very high2 Ų235.3 Ų35.32%0.01717%0.17CC..THydrogen-bonded Turntrans-77.21.9178.600000115Y545 H549 T550 D553 Y557Y545-A547 HydrophobicContact CD2-CB 4.29Å; Y545-A547 HydrophobicContact CE2-CB 4.28Å; Y545-A547 PolarHBondContact O-N 3.1Å; A547-H549 PolarHBondContact O-N 2.91Å; A547-T550 WeakPolarHBondContact O-CB 3.37Å; A547-T550 PolarHBondContact O-N 3.15Å; A547-T550 VanDerWaalsContact O-N 3.12Å; A547-T550 PolarHBondContact O-OG1 3.16Å; A547-D553 HydrophobicContact CB-CB 4.47Å; A547-Y557 HydrophobicContact CB-CD1 4.18Å; A547-Y557 HydrophobicContact CB-CD2 4.01Å; A547-Y557 HydrophobicContact CB-CE1 3.81Å; A547-Y557 HydrophobicContact CB-CE2 3.62Å; A547-Y557 HydrophobicContact CB-CG 4.28Å
548Y98.7Very high97.6Very high29 Ų2928.9 Ų28.911%0.11415%0.146CC..THydrogen-bonded Turntrans-49.7128.2-175.1172.5-107.2000114.4R200 E248 D381 I544 Y545 P546 T550R200-Y548 PolarHBondContact NH2-OH 2.98Å; E248-Y548 HydrophobicContact CG-CD1 3.99Å; E248-Y548 HydrophobicContact CG-CE1 4.07Å; D381-Y548 VanDerWaalsContact OD2-CE2 3.3Å; D381-Y548 WeakPolarHBondContact OD2-CE2 3.3Å; I544-Y548 HydrophobicContact CD1-CD1 4.13Å; I544-Y548 HydrophobicContact CD1-CD2 3.43Å; I544-Y548 VanDerWaalsContact CD1-CD2 3.43Å; I544-Y548 HydrophobicContact CD1-CE1 4.2Å; I544-Y548 HydrophobicContact CD1-CE2 3.53Å; I544-Y548 HydrophobicContact CD1-CG 3.74Å; I544-Y548 HydrophobicContact CG1-CD2 4.09Å; I544-Y548 HydrophobicContact CG1-CG 4.06Å; I544-Y548 HydrophobicContact CG2-CD1 3.72Å; I544-Y548 HydrophobicContact CG2-CE1 4.45Å; I544-Y548 HydrophobicContact CG2-CG 3.81Å; Y545-Y548 AromaticContact CE1-CD2 3.65Å; Y545-Y548 HydrophobicContact CE1-CD2 3.65Å; Y545-Y548 HydrophobicContact CE1-CG 4.21Å; Y545-Y548 VanDerWaalsContact CZ-CA 3.5Å; Y545-Y548 AromaticContact CZ-CD2 3.88Å; Y545-Y548 WeakPolarHBondContact O-CB 3.35Å; Y545-Y548 PolarHBondContact O-N 3.43Å; Y545-Y548 VanDerWaalsContact O-N 3.15Å; P546-Y548 PolarHBondContact O-N 3.07Å; Y548-T550 VanDerWaalsContact O-CG2 3.24Å; Y548-T550 WeakPolarHBondContact O-CG2 3.06Å; Y548-T550 PolarHBondContact O-N 2.88Å; Y548-T550 VanDerWaalsContact O-N 3.11Å
549H98.7Very high97.7Very high8 Ų825.2 Ų25.24%0.03712%0.121CC..THydrogen-bonded Turntrans53.523.9-178.5-65.2-164.2000115.3E248 R249 W375 D381 E420 A547E248-H549 HydrophobicContact CG-CB 4.04Å; R249-H549 HydrophobicContact CB-CB 4.38Å; R249-H549 PolarHBondContact N-O 3.25Å; R249-H549 WeakPolarHBondContact O-CB 3.34Å; R249-H549 PolarHBondContact O-ND1 2.96Å; W375-H549 AromaticContact CD1-CD2 3.62Å; W375-H549 AromaticContact CD1-CE1 3.47Å; W375-H549 VanDerWaalsContact CD1-CE1 3.47Å; W375-H549 AromaticContact CD1-CG 3.3Å; W375-H549 AromaticContact CD1-ND1 3.24Å; W375-H549 AromaticContact CD1-NE2 3.77Å; W375-H549 HydrophobicContact CG-CB 4.34Å; W375-H549 AromaticContact NE1-CE1 3.26Å; W375-H549 PolarHBondContact NE1-CE1 2.87Å; W375-H549 VanDerWaalsContact NE1-CE1 3.26Å; W375-H549 AromaticContact NE1-CG 3.82Å; W375-H549 AromaticContact NE1-ND1 3.23Å; W375-H549 PolarHBondContact NE1-ND1 3.38Å; W375-H549 AromaticContact NE1-NE2 3.93Å; D381-H549 IonicContact OD2-CD2 3.33Å; D381-H549 IonicContact OD2-NE2 3.37Å; D381-H549 PolarHBondContact OD2-NE2 3.21Å; E420-H549 IonicContact OE1-CD2 3.04Å; E420-H549 IonicContact OE1-CE1 2.71Å; E420-H549 IonicContact OE1-NE2 3.7Å; E420-H549 PolarHBondContact OE1-NE2 3.4Å; E420-H549 IonicContact OE2-CE1 3.06Å; E420-H549 PolarHBondContact OE2-CE1 2.62Å; E420-H549 IonicContact OE2-ND1 2.72Å; E420-H549 IonicContact OE2-NE2 3.79Å; E420-H549 PolarHBondContact OE2-NE2 3.14Å; E420-H549 VanDerWaalsContact OE2-NE2 3.1Å; A547-H549 PolarHBondContact O-N 2.91Å
550T98.8Very high97.8Very high3 Ų323.2 Ų23.22%0.01811%0.109CC..SBendtrans-109.3167.7177.776.80000111.5L242 A547 Y548 Y552 D553L242-T550 HydrophobicContact CD1-CG2 3.7Å; A547-T550 WeakPolarHBondContact O-CB 3.37Å; A547-T550 PolarHBondContact O-N 3.15Å; A547-T550 VanDerWaalsContact O-N 3.12Å; A547-T550 PolarHBondContact O-OG1 3.16Å; Y548-T550 VanDerWaalsContact O-CG2 3.24Å; Y548-T550 WeakPolarHBondContact O-CG2 3.06Å; Y548-T550 PolarHBondContact O-N 2.88Å; Y548-T550 VanDerWaalsContact O-N 3.11Å; T550-Y552 PolarHBondContact O-N 2.95Å; T550-Y552 VanDerWaalsContact O-N 3.07Å; T550-Y552 PolarHBondContact OG1-N 3.24Å; T550-Y552 VanDerWaalsContact OG1-N 3.11Å; T550-D553 PolarHBondContact O-N 2.84Å
551A98.7Very high97.8Very high0 Ų025.5 Ų25.50%012%0.118CC..THydrogen-bonded Turntrans-67.4-1.1171.200000114.4E137 Q144 V149 V376E137-A551 HydrophobicContact CB-CB 4.23Å; E137-A551 HydrophobicContact CG-CB 4.16Å; E137-A551 PolarHBondContact OE1-N 3.41Å; E137-A551 VanDerWaalsContact OE1-N 3.12Å; Q144-A551 HydrophobicContact CG-CB 3.98Å; Q144-A551 PolarHBondContact NE2-O 3.07Å; V149-A551 HydrophobicContact CG1-CB 4.04Å; V376-A551 HydrophobicContact CG1-CB 4.27Å; V376-A551 HydrophobicContact CG2-CB 4.34Å
552Y98.7Very high98.2Very high0 Ų020.1 Ų20.10%09%0.089CC..THydrogen-bonded Turntrans-97.4-2.9178.1-54.2-54.7000114.1E137 V138 Y140 Q144 Y236 P243 T245 T550 T554 Y557E137-Y552 HydrophobicContact CB-CE1 4.5Å; E137-Y552 HydrophobicContact CB-CE2 4.28Å; E137-Y552 HydrophobicContact CG-CE2 4.15Å; V138-Y552 PolarHBondContact N-OH 2.84Å; V138-Y552 VanDerWaalsContact O-CE1 3.3Å; V138-Y552 WeakPolarHBondContact O-CE1 3.28Å; V138-Y552 PolarHBondContact O-OH 2.96Å; Y140-Y552 HydrophobicContact CD2-CD1 4.1Å; Y140-Y552 AromaticContact CD2-CE1 3.37Å; Y140-Y552 HydrophobicContact CD2-CE1 3.37Å; Y140-Y552 AromaticContact CD2-CZ 3.72Å; Y140-Y552 AromaticContact CE2-CE1 3.79Å; Y140-Y552 HydrophobicContact CE2-CE1 3.79Å; Y140-Y552 HydrophobicContact CE2-CE2 4.41Å; Y140-Y552 AromaticContact CE2-CZ 3.59Å; Y140-Y552 VanDerWaalsContact CE2-OH 3.28Å; Y140-Y552 WeakPolarHBondContact CE2-OH 3.26Å; Y140-Y552 HydrophobicContact CG-CE1 4.49Å; Q144-Y552 HydrophobicContact CG-CD1 4.06Å; Q144-Y552 HydrophobicContact CG-CE1 3.76Å; Y236-Y552 AromaticContact CD1-CD1 3.9Å; Y236-Y552 HydrophobicContact CD1-CD1 3.9Å; Y236-Y552 HydrophobicContact CD1-CG 4.17Å; Y236-Y552 HydrophobicContact CE1-CD1 4.11Å; P243-Y552 HydrophobicContact CB-CD2 4.31Å; P243-Y552 HydrophobicContact CB-CE2 3.74Å; P243-Y552 VanDerWaalsContact CD-CD2 3.48Å; P243-Y552 HydrophobicContact CG-CD2 3.67Å; P243-Y552 HydrophobicContact CG-CE2 3.58Å; P243-Y552 HydrophobicContact CG-CG 4.15Å; T245-Y552 PolarHBondContact OG1-OH 3.05Å; T550-Y552 PolarHBondContact O-N 2.95Å; T550-Y552 VanDerWaalsContact O-N 3.07Å; T550-Y552 PolarHBondContact OG1-N 3.24Å; T550-Y552 VanDerWaalsContact OG1-N 3.11Å; Y552-T554 VanDerWaalsContact C-N 3.27Å; Y552-T554 PolarHBondContact O-N 3.02Å; Y552-Y557 WeakPolarHBondContact O-CB 3.33Å
553D98.8Very high98.3Very high3 Ų320.1 Ų20.12%0.0169%0.089CC..  trans-75.979.7171.1-168.4-5.8000110.8H377 G378 A379 I380 D381 Y545 A547 T550H377-D553 WeakPolarHBondContact CB-O 3.35Å; G378-D553 PolarHBondContact N-O 3.47Å; A379-D553 WeakPolarHBondContact CB-OD1 3.3Å; A379-D553 PolarHBondContact N-O 2.86Å; A379-D553 PolarHBondContact N-OD1 3.26Å; A379-D553 VanDerWaalsContact N-OD1 3.12Å; I380-D553 WeakPolarHBondContact CG1-OD1 3.43Å; I380-D553 PolarHBondContact N-OD1 3.09Å; I380-D553 PolarHBondContact N-OD2 3.34Å; D381-D553 PolarHBondContact N-OD2 3.38Å; Y545-D553 PolarHBondContact OH-OD2 3.28Å; A547-D553 HydrophobicContact CB-CB 4.47Å; T550-D553 PolarHBondContact O-N 2.84Å
554T98.8Very high98.4Very high1 Ų119.6 Ų19.61%0.00610%0.096CC..  trans-120.1165.6-171.567.70000112.5D143 A379 Y552 D556 Y557 A558D143-T554 HydrophobicContact CB-CG2 3.76Å; A379-T554 VanDerWaalsContact CB-O 3.24Å; A379-T554 WeakPolarHBondContact CB-O 3.49Å; Y552-T554 VanDerWaalsContact C-N 3.27Å; Y552-T554 PolarHBondContact O-N 3.02Å; T554-D556 PolarHBondContact O-N 3.07Å; T554-Y557 WeakPolarHBondContact O-CB 3.46Å; T554-Y557 PolarHBondContact O-N 2.82Å; T554-Y557 VanDerWaalsContact O-N 3.14Å; T554-Y557 PolarHBondContact OG1-N 3.38Å; T554-A558 PolarHBondContact O-N 2.99Å
555F98.8Very high98.4Very high28 Ų2820.6 Ų20.612%0.12311%0.112CC..Hα-helixtrans-56.2-38.6173.7-178.7-90.7000112.7Q61 L64 R65 A558 S559 F566Q61-F555 HydrophobicContact CG-CE2 4.14Å; Q61-F555 HydrophobicContact CG-CZ 3.79Å; Q61-F555 WeakPolarHBondContact O-CE2 3.31Å; L64-F555 HydrophobicContact CB-CD2 4.41Å; L64-F555 HydrophobicContact CB-CE2 4.37Å; L64-F555 HydrophobicContact CD2-CD2 4.29Å; L64-F555 HydrophobicContact CG-CD2 4.03Å; L64-F555 HydrophobicContact CG-CE2 4.39Å; R65-F555 HydrophobicContact CB-CD2 3.89Å; R65-F555 HydrophobicContact CB-CE2 3.65Å; R65-F555 HydrophobicContact CB-CZ 4.18Å; R65-F555 HydrophobicContact CG-CD2 4.46Å; R65-F555 HydrophobicContact CG-CE2 4.4Å; R65-F555 VanDerWaalsContact CZ-CE1 3.45Å; R65-F555 VanDerWaalsContact CZ-CZ 3.42Å; R65-F555 VanDerWaalsContact NH2-CZ 3.25Å; F555-A558 PolarHBondContact O-N 3.25Å; F555-S559 VanDerWaalsContact O-CB 3.27Å; F555-S559 WeakPolarHBondContact O-CB 3.2Å; F555-S559 PolarHBondContact O-N 3.47Å; F555-S559 PolarHBondContact O-OG 2.62Å; F555-F566 AromaticContact CE2-CZ 3.91Å; F555-F566 HydrophobicContact CE2-CZ 3.91Å; F555-F566 HydrophobicContact CZ-CE2 4.48Å; F555-F566 HydrophobicContact CZ-CZ 4.25Å
556D98.5Very high98.4Very high44 Ų4420.6 Ų20.624%0.23511%0.112CC..Hα-helixtrans-61.4-46.4176.9177.977.4000110.8Y236 T554 A558 S559 R560Y236-D556 WeakPolarHBondContact CE2-OD2 3.43Å; Y236-D556 PolarHBondContact OH-OD2 3.15Å; T554-D556 PolarHBondContact O-N 3.07Å; D556-A558 PolarHBondContact O-N 2.85Å; D556-S559 PolarHBondContact O-N 2.89Å; D556-S559 PolarHBondContact O-OG 2.88Å; D556-R560 VanDerWaalsContact O-CB 3.31Å; D556-R560 WeakPolarHBondContact O-CB 3.44Å; D556-R560 PolarHBondContact O-N 3.26Å; D556-R560 WeakPolarHBondContact OD1-CD 3.35Å; D556-R560 IonicContact OD1-NH1 2.74Å; D556-R560 PolarHBondContact OD1-NH1 3.19Å; D556-R560 IonicContact OD2-CZ 2.83Å; D556-R560 IonicContact OD2-NH1 3.87Å; D556-R560 PolarHBondContact OD2-NH1 3.02Å; D556-R560 VanDerWaalsContact OD2-NH1 3.15Å
557Y98.6Very high98.4Very high0 Ų023.1 Ų23.10%013%0.127CC..Hα-helixtrans-57.5-51.1175.9-179.3-91.3000111.6Y236 W240 I380 Y545 P546 A547 Y552 T554 S559 F561 I562Y236-Y557 AromaticContact CD2-CD2 3.71Å; Y236-Y557 HydrophobicContact CD2-CD2 3.71Å; Y236-Y557 HydrophobicContact CE2-CD2 4.15Å; Y236-Y557 HydrophobicContact CG-CD2 4.4Å; W240-Y557 HydrophobicContact CB-CE2 4.19Å; W240-Y557 VanDerWaalsContact O-CE2 3.29Å; W240-Y557 WeakPolarHBondContact O-CE2 3.39Å; W240-Y557 PolarHBondContact O-OH 3.22Å; I380-Y557 HydrophobicContact CG1-CD1 4.19Å; I380-Y557 HydrophobicContact CG1-CE1 4.23Å; Y545-Y557 AromaticContact CD2-CE1 3.96Å; Y545-Y557 HydrophobicContact CD2-CE1 3.96Å; P546-Y557 WeakPolarHBondContact CD-OH 3.31Å; A547-Y557 HydrophobicContact CB-CD1 4.18Å; A547-Y557 HydrophobicContact CB-CD2 4.01Å; A547-Y557 HydrophobicContact CB-CE1 3.81Å; A547-Y557 HydrophobicContact CB-CE2 3.62Å; A547-Y557 HydrophobicContact CB-CG 4.28Å; Y552-Y557 WeakPolarHBondContact O-CB 3.33Å; T554-Y557 WeakPolarHBondContact O-CB 3.46Å; T554-Y557 PolarHBondContact O-N 2.82Å; T554-Y557 VanDerWaalsContact O-N 3.14Å; T554-Y557 PolarHBondContact OG1-N 3.38Å; Y557-S559 PolarHBondContact O-N 2.71Å; Y557-F561 HydrophobicContact CD2-CD2 4.34Å; Y557-F561 PolarHBondContact O-N 3.29Å; Y557-F561 VanDerWaalsContact O-N 3.07Å; Y557-I562 HydrophobicContact CD1-CD1 4.3Å; Y557-I562 HydrophobicContact CD1-CG1 3.73Å; Y557-I562 HydrophobicContact CE1-CD1 3.49Å; Y557-I562 VanDerWaalsContact CE1-CD1 3.49Å; Y557-I562 HydrophobicContact CE1-CG1 3.41Å; Y557-I562 VanDerWaalsContact CE1-CG1 3.41Å
558A98.5Very high98.4Very high0 Ų023 Ų230%013%0.127CC..Iπ-helixtrans-60.7-48.2179.900000112.5L64 A379 I380 T554 F555 D556 I562 D563L64-A558 HydrophobicContact CD2-CB 3.82Å; A379-A558 HydrophobicContact CB-CB 4.14Å; I380-A558 HydrophobicContact CD1-CB 3.53Å; I380-A558 HydrophobicContact CG1-CB 4.47Å; T554-A558 PolarHBondContact O-N 2.99Å; F555-A558 PolarHBondContact O-N 3.25Å; D556-A558 PolarHBondContact O-N 2.85Å; A558-I562 WeakPolarHBondContact O-CB 3.47Å; A558-I562 PolarHBondContact O-N 3.32Å; A558-D563 PolarHBondContact O-N 2.98Å
559S98.3Very high98.4Very high25 Ų2521.7 Ų21.718%0.17512%0.121CC..Iπ-helixtrans-77.6-23.3-17363.50000114.6F555 D556 Y557 P564F555-S559 VanDerWaalsContact O-CB 3.27Å; F555-S559 WeakPolarHBondContact O-CB 3.2Å; F555-S559 PolarHBondContact O-N 3.47Å; F555-S559 PolarHBondContact O-OG 2.62Å; D556-S559 PolarHBondContact O-N 2.89Å; D556-S559 PolarHBondContact O-OG 2.88Å; Y557-S559 PolarHBondContact O-N 2.71Å; S559-P564 VanDerWaalsContact O-CA 3.31Å; S559-P564 WeakPolarHBondContact O-CA 3.41Å
560R97.9Very high98.4Very high118 Ų11822.8 Ų22.845%0.44513%0.126SC..Iπ-helixtrans-96.9-36.6179.4-73.3173.856.1-163.6-10.4114.3P237 D556 P564P237-R560 PolarHBondContact O-NH2 3.19Å; D556-R560 VanDerWaalsContact O-CB 3.31Å; D556-R560 WeakPolarHBondContact O-CB 3.44Å; D556-R560 PolarHBondContact O-N 3.26Å; D556-R560 WeakPolarHBondContact OD1-CD 3.35Å; D556-R560 IonicContact OD1-NH1 2.74Å; D556-R560 PolarHBondContact OD1-NH1 3.19Å; D556-R560 IonicContact OD2-CZ 2.83Å; D556-R560 IonicContact OD2-NH1 3.87Å; D556-R560 PolarHBondContact OD2-NH1 3.02Å; D556-R560 VanDerWaalsContact OD2-NH1 3.15Å; R560-P564 VanDerWaalsContact O-CG 3.25Å; R560-P564 WeakPolarHBondContact O-CG 3.19Å
561F98.2Very high98.4Very high55 Ų5522.7 Ų22.724%0.24113%0.126CC..Iπ-helixtrans-114.7-33.8-168.9-60.3-65.2000113.4Y236 P237 W240 Y557Y236-F561 HydrophobicContact CD2-CD2 4.33Å; Y236-F561 AromaticContact CD2-CE2 3.86Å; Y236-F561 HydrophobicContact CD2-CE2 3.86Å; Y236-F561 HydrophobicContact CE2-CE2 4.02Å; P237-F561 WeakPolarHBondContact O-CZ 3.42Å; W240-F561 HydrophobicContact CB-CB 3.96Å; W240-F561 HydrophobicContact CB-CG 4.45Å; Y557-F561 HydrophobicContact CD2-CD2 4.34Å; Y557-F561 PolarHBondContact O-N 3.29Å; Y557-F561 VanDerWaalsContact O-N 3.07Å
562I98.4Very high98.4Very high1 Ų122.7 Ų22.71%0.00513%0.126CC..Iπ-helixtrans-89.7-52.9-172.8-56.4-56.9000111.6W240 I380 V451 Y557 A558W240-I562 HydrophobicContact CE3-CD1 4.2Å; I380-I562 HydrophobicContact CD1-CB 4.04Å; I380-I562 HydrophobicContact CD1-CG1 3.96Å; I380-I562 HydrophobicContact CD1-CG2 3.79Å; I380-I562 HydrophobicContact CG1-CG1 4.29Å; V451-I562 HydrophobicContact CB-CG2 4.29Å; V451-I562 HydrophobicContact CG1-CG2 3.76Å; V451-I562 VanDerWaalsContact O-CG2 3.3Å; V451-I562 WeakPolarHBondContact O-CG2 3.48Å; Y557-I562 HydrophobicContact CD1-CD1 4.3Å; Y557-I562 HydrophobicContact CD1-CG1 3.73Å; Y557-I562 HydrophobicContact CE1-CD1 3.49Å; Y557-I562 VanDerWaalsContact CE1-CD1 3.49Å; Y557-I562 HydrophobicContact CE1-CG1 3.41Å; Y557-I562 VanDerWaalsContact CE1-CG1 3.41Å; A558-I562 WeakPolarHBondContact O-CB 3.47Å; A558-I562 PolarHBondContact O-N 3.32Å
563D98.4Very high98.5Very high0 Ų022.8 Ų22.80%013%0.127CC..  trans-147.170.6-180-16818.4000113.8V451 A558 G565 F566 V567 A568 H569V451-D563 HydrophobicContact CG1-CB 4.24Å; A558-D563 PolarHBondContact O-N 2.98Å; D563-G565 PolarHBondContact O-N 2.9Å; D563-G565 VanDerWaalsContact O-N 3.11Å; D563-F566 PolarHBondContact O-N 3.35Å; D563-F566 WeakPolarHBondContact OD2-CA 3.48Å; D563-V567 PolarHBondContact OD1-N 2.82Å; D563-V567 PolarHBondContact OD2-N 3.1Å; D563-A568 HydrophobicContact CB-CB 4.44Å; D563-A568 PolarHBondContact OD1-N 2.83Å; D563-A568 VanDerWaalsContact OD1-N 3.1Å; D563-A568 WeakPolarHBondContact OD2-CA 3.5Å; D563-A568 WeakPolarHBondContact OD2-CB 3.44Å; D563-A568 PolarHBondContact OD2-N 3.45Å; D563-H569 IonicContact OD2-CE1 3.62Å; D563-H569 IonicContact OD2-CG 2.88Å; D563-H569 PolarHBondContact OD2-N 2.69Å; D563-H569 IonicContact OD2-ND1 3.17Å; D563-H569 PolarHBondContact OD2-ND1 3.5Å
564P97.8Very high98.5Very high68 Ų6824.9 Ų24.944%0.44214%0.135SC..THydrogen-bonded Turntrans-55.8118.5172-2535.7000111.9S559 R560S559-P564 VanDerWaalsContact O-CA 3.31Å; S559-P564 WeakPolarHBondContact O-CA 3.41Å; R560-P564 VanDerWaalsContact O-CG 3.25Å; R560-P564 WeakPolarHBondContact O-CG 3.19Å
565G97.3Very high98.5Very high45 Ų4524.9 Ų24.946%0.46413%0.134SC..THydrogen-bonded Turntrans88.21.1-177.200000115.2T57 D563 V567T57-G565 WeakPolarHBondContact CB-O 3.42Å; T57-G565 WeakPolarHBondContact CG2-O 3.35Å; D563-G565 PolarHBondContact O-N 2.9Å; D563-G565 VanDerWaalsContact O-N 3.11Å; G565-V567 PolarHBondContact O-N 2.98Å
566F98.6Very high98.5Very high1 Ų123.5 Ų23.50%0.00413%0.128CC..SBendtrans59.827.1171.3-72.8-105.1000114.4L60 Q61 L64 F555 D563 H569 Q570L60-F566 HydrophobicContact CB-CB 4.49Å; L60-F566 HydrophobicContact CB-CD1 4.24Å; Q61-F566 HydrophobicContact CB-CD1 4.1Å; Q61-F566 HydrophobicContact CB-CD2 3.65Å; Q61-F566 HydrophobicContact CB-CE1 4.15Å; Q61-F566 HydrophobicContact CB-CE2 3.74Å; Q61-F566 HydrophobicContact CB-CG 3.85Å; Q61-F566 HydrophobicContact CB-CZ 3.98Å; Q61-F566 HydrophobicContact CG-CD2 3.8Å; Q61-F566 HydrophobicContact CG-CE1 4.45Å; Q61-F566 HydrophobicContact CG-CE2 3.43Å; Q61-F566 VanDerWaalsContact CG-CE2 3.43Å; Q61-F566 HydrophobicContact CG-CG 4.47Å; Q61-F566 HydrophobicContact CG-CZ 3.79Å; L64-F566 HydrophobicContact CB-CE1 3.99Å; L64-F566 HydrophobicContact CB-CZ 4.49Å; L64-F566 HydrophobicContact CD2-CE1 3.55Å; L64-F566 HydrophobicContact CD2-CZ 3.81Å; L64-F566 HydrophobicContact CG-CE1 4.37Å; F555-F566 AromaticContact CE2-CZ 3.91Å; F555-F566 HydrophobicContact CE2-CZ 3.91Å; F555-F566 HydrophobicContact CZ-CE2 4.48Å; F555-F566 HydrophobicContact CZ-CZ 4.25Å; D563-F566 PolarHBondContact O-N 3.35Å; D563-F566 WeakPolarHBondContact OD2-CA 3.48Å; F566-H569 HydrophobicContact CB-CB 4.49Å; F566-H569 HydrophobicContact CD1-CB 4.31Å; F566-H569 AromaticContact CD1-CG 3.9Å; F566-H569 AromaticContact CD1-ND1 3.79Å; F566-Q570 PolarHBondContact O-N 2.86Å; F566-Q570 VanDerWaalsContact O-N 3.07Å
567V98.1Very high98.5Very high55 Ų5521.4 Ų21.433%0.33312%0.117SC..Hα-helixtrans-78.2-31.4-175.9-71.80000112.3T57 P479 D563 G565 A571T57-V567 HydrophobicContact CG2-CG1 4.38Å; P479-V567 HydrophobicContact CB-CB 4.17Å; P479-V567 HydrophobicContact CB-CG2 3.9Å; D563-V567 PolarHBondContact OD1-N 2.82Å; D563-V567 PolarHBondContact OD2-N 3.1Å; G565-V567 PolarHBondContact O-N 2.98Å; V567-A571 PolarHBondContact O-N 3.2Å
568A98.6Very high98.5Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-72.3-40.2172.300000111.6V451 N454 P479 Y533 D563 Q570 A571 V572V451-A568 HydrophobicContact CG1-CB 3.88Å; V451-A568 HydrophobicContact CG2-CB 3.91Å; N454-A568 HydrophobicContact CB-CB 3.99Å; P479-A568 HydrophobicContact CB-CB 4.44Å; P479-A568 HydrophobicContact CG-CB 4.04Å; Y533-A568 HydrophobicContact CD1-CB 4.06Å; Y533-A568 HydrophobicContact CG-CB 4.1Å; D563-A568 HydrophobicContact CB-CB 4.44Å; D563-A568 PolarHBondContact OD1-N 2.83Å; D563-A568 VanDerWaalsContact OD1-N 3.1Å; D563-A568 WeakPolarHBondContact OD2-CA 3.5Å; D563-A568 WeakPolarHBondContact OD2-CB 3.44Å; D563-A568 PolarHBondContact OD2-N 3.45Å; A568-Q570 VanDerWaalsContact C-N 3.27Å; A568-Q570 PolarHBondContact O-N 3.26Å; A568-A571 PolarHBondContact O-N 3.23Å; A568-V572 WeakPolarHBondContact O-CG2 3.24Å; A568-V572 PolarHBondContact O-N 2.97Å
569H98.8Very high98.5Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-57.4-43.4171.5-71.277.1000110.8L60 S384 V388 S450 V451 D563 F566 V572 G573L60-H569 HydrophobicContact CB-CB 4.49Å; L60-H569 HydrophobicContact CD1-CB 4.05Å; S384-H569 WeakPolarHBondContact CB-NE2 3.35Å; V388-H569 HydrophobicContact CG2-CB 4.3Å; S450-H569 PolarHBondContact OG-CD2 3.21Å; V451-H569 HydrophobicContact CG2-CB 4.3Å; V451-H569 WeakPolarHBondContact CG2-ND1 3.11Å; D563-H569 IonicContact OD2-CE1 3.62Å; D563-H569 IonicContact OD2-CG 2.88Å; D563-H569 PolarHBondContact OD2-N 2.69Å; D563-H569 IonicContact OD2-ND1 3.17Å; D563-H569 PolarHBondContact OD2-ND1 3.5Å; F566-H569 HydrophobicContact CB-CB 4.49Å; F566-H569 HydrophobicContact CD1-CB 4.31Å; F566-H569 AromaticContact CD1-CG 3.9Å; F566-H569 AromaticContact CD1-ND1 3.79Å; H569-V572 PolarHBondContact O-N 3.48Å; H569-G573 PolarHBondContact O-N 3.49Å
570Q98.8Very high98.6Very high31 Ų3120.2 Ų20.215%0.14511%0.109CC..Hα-helixtrans-63.9-43176.5-177-175.866.700112V55 T57 L60 F566 A568 V572 G573 R574V55-Q570 HydrophobicContact CG1-CG 3.99Å; V55-Q570 PolarHBondContact O-NE2 3.4Å; T57-Q570 HydrophobicContact CG2-CB 3.93Å; T57-Q570 HydrophobicContact CG2-CG 4.38Å; L60-Q570 HydrophobicContact CD1-CB 3.83Å; F566-Q570 PolarHBondContact O-N 2.86Å; F566-Q570 VanDerWaalsContact O-N 3.07Å; A568-Q570 VanDerWaalsContact C-N 3.27Å; A568-Q570 PolarHBondContact O-N 3.26Å; Q570-V572 VanDerWaalsContact C-N 3.32Å; Q570-V572 PolarHBondContact O-N 3Å; Q570-G573 PolarHBondContact O-N 2.99Å; Q570-R574 HydrophobicContact CG-CG 4.31Å; Q570-R574 WeakPolarHBondContact O-CB 3.46Å; Q570-R574 VanDerWaalsContact O-CG 3.24Å; Q570-R574 WeakPolarHBondContact O-CG 3.43Å; Q570-R574 PolarHBondContact O-N 3.13Å; Q570-R574 VanDerWaalsContact OE1-NH1 3.08Å
571A98.8Very high98.6Very high2 Ų214.6 Ų14.62%0.0179%0.088CC..Hα-helixtrans-62.1-39.717700000112.1V476 P479 V486 Y533 V567 A568 T575V476-A571 HydrophobicContact CG1-CB 4.3Å; P479-A571 HydrophobicContact CG-CB 3.63Å; V486-A571 HydrophobicContact CG2-CB 4.28Å; Y533-A571 HydrophobicContact CE2-CB 4.09Å; V567-A571 PolarHBondContact O-N 3.2Å; A568-A571 PolarHBondContact O-N 3.23Å; A571-T575 WeakPolarHBondContact O-CB 3.43Å; A571-T575 PolarHBondContact O-N 3.41Å; A571-T575 PolarHBondContact O-OG1 2.74Å
572V98.9Very high98.6Very high0 Ų012.7 Ų12.70%08%0.079CC..Hα-helixtrans-66.3-49174.4175.40000110.9V447 S450 Y533 A568 H569 Q570 R574 T575 A576V447-V572 HydrophobicContact CG1-CG1 3.85Å; S450-V572 WeakPolarHBondContact O-CG2 3.16Å; Y533-V572 HydrophobicContact CD2-CG2 3.67Å; Y533-V572 HydrophobicContact CG-CG2 4.32Å; A568-V572 WeakPolarHBondContact O-CG2 3.24Å; A568-V572 PolarHBondContact O-N 2.97Å; H569-V572 PolarHBondContact O-N 3.48Å; Q570-V572 VanDerWaalsContact C-N 3.32Å; Q570-V572 PolarHBondContact O-N 3Å; V572-R574 VanDerWaalsContact C-N 3.31Å; V572-R574 PolarHBondContact O-N 3.44Å; V572-T575 PolarHBondContact O-N 2.84Å; V572-T575 VanDerWaalsContact O-N 3.15Å; V572-A576 VanDerWaalsContact O-CB 3.31Å; V572-A576 WeakPolarHBondContact O-CB 3.3Å; V572-A576 PolarHBondContact O-N 3.38Å
573G98.8Very high98.6Very high1 Ų112.7 Ų12.71%0.018%0.079CC..Hα-helixtrans-60.7-38.6178.400000113.5V388 H569 Q570 G577V388-G573 VanDerWaalsContact CG1-CA 3.41Å; H569-G573 PolarHBondContact O-N 3.49Å; Q570-G573 PolarHBondContact O-N 2.99Å; G573-G577 WeakPolarHBondContact O-CA 3.41Å; G573-G577 PolarHBondContact O-N 2.69Å
574R98.9Very high98.7Very high48 Ų4812.7 Ų12.718%0.1818%0.079CC..Hα-helixtrans-64.2-46172.6-81.3-179.9174162.90.2112.5L52 V55 V476 Q570 V572 N578L52-R574 HydrophobicContact CD2-CB 3.5Å; L52-R574 HydrophobicContact CD2-CG 3.7Å; L52-R574 WeakPolarHBondContact CD2-O 3.35Å; L52-R574 VanDerWaalsContact O-CZ 3.3Å; L52-R574 PolarHBondContact O-NE 3.42Å; L52-R574 PolarHBondContact O-NH2 3.17Å; L52-R574 VanDerWaalsContact O-NH2 3.08Å; V55-R574 HydrophobicContact CB-CG 4.11Å; V55-R574 HydrophobicContact CG1-CG 4.38Å; V55-R574 HydrophobicContact CG2-CG 4.21Å; V476-R574 HydrophobicContact CB-CB 4.5Å; V476-R574 HydrophobicContact CG1-CB 3.76Å; V476-R574 HydrophobicContact CG2-CB 3.83Å; Q570-R574 HydrophobicContact CG-CG 4.31Å; Q570-R574 WeakPolarHBondContact O-CB 3.46Å; Q570-R574 VanDerWaalsContact O-CG 3.24Å; Q570-R574 WeakPolarHBondContact O-CG 3.43Å; Q570-R574 PolarHBondContact O-N 3.13Å; Q570-R574 VanDerWaalsContact OE1-NH1 3.08Å; V572-R574 VanDerWaalsContact C-N 3.31Å; V572-R574 PolarHBondContact O-N 3.44Å; R574-N578 WeakPolarHBondContact O-CB 3.27Å; R574-N578 PolarHBondContact O-N 2.97Å
575T98.9Very high98.7Very high0 Ų010.1 Ų10.10%06%0.061CC..Hα-helixtrans-68.3-50.2-179-55.90000110.9A472 M531 A571 V572 N578 I579A472-T575 HydrophobicContact CB-CG2 4.21Å; M531-T575 HydrophobicContact SD-CG2 4.3Å; A571-T575 WeakPolarHBondContact O-CB 3.43Å; A571-T575 PolarHBondContact O-N 3.41Å; A571-T575 PolarHBondContact O-OG1 2.74Å; V572-T575 PolarHBondContact O-N 2.84Å; V572-T575 VanDerWaalsContact O-N 3.15Å; T575-N578 PolarHBondContact O-N 3.42Å; T575-I579 HydrophobicContact CG2-CD1 4.11Å; T575-I579 WeakPolarHBondContact O-CG1 3.34Å; T575-I579 PolarHBondContact O-N 3.44Å
576A98.9Very high98.7Very high0 Ų08.4 Ų8.40%04%0.042CC..Hα-helixtrans-64.4-43.1179.800000112Y368 I392 V447 M531 V572 I579 L580Y368-A576 HydrophobicContact CE2-CB 4.12Å; I392-A576 HydrophobicContact CD1-CB 4.31Å; V447-A576 HydrophobicContact CG2-CB 3.94Å; M531-A576 HydrophobicContact CE-CB 4.35Å; M531-A576 HydrophobicContact SD-CB 3.69Å; V572-A576 VanDerWaalsContact O-CB 3.31Å; V572-A576 WeakPolarHBondContact O-CB 3.3Å; V572-A576 PolarHBondContact O-N 3.38Å; A576-I579 PolarHBondContact O-N 2.88Å; A576-L580 WeakPolarHBondContact O-CB 3.24Å; A576-L580 PolarHBondContact O-N 2.69Å
577G98.9Very high98.6Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-66.1-35.3176.100000113.3G573 L580 I581G573-G577 WeakPolarHBondContact O-CA 3.41Å; G573-G577 PolarHBondContact O-N 2.69Å; G577-L580 WeakPolarHBondContact O-CB 3.17Å; G577-L580 PolarHBondContact O-N 3.13Å; G577-I581 VanDerWaalsContact O-CG1 3.26Å; G577-I581 WeakPolarHBondContact O-CG1 3.48Å; G577-I581 PolarHBondContact O-N 3.1Å
578N98.9Very high98.6Very high0 Ų07.9 Ų7.90%04%0.037CC..Hα-helixtrans-64.4-45.9172.7-174.5-22.1000111.3I48 L52 A472 Q475 R574 T575 L580 I581 R582I48-N578 HydrophobicContact CG2-CB 4.39Å; I48-N578 WeakPolarHBondContact CG2-ND2 3.5Å; L52-N578 HydrophobicContact CD2-CB 4.41Å; A472-N578 HydrophobicContact CB-CB 3.93Å; Q475-N578 PolarHBondContact OE1-ND2 3.11Å; R574-N578 WeakPolarHBondContact O-CB 3.27Å; R574-N578 PolarHBondContact O-N 2.97Å; T575-N578 PolarHBondContact O-N 3.42Å; N578-L580 VanDerWaalsContact C-N 3.33Å; N578-L580 PolarHBondContact O-N 3.33Å; N578-I581 PolarHBondContact O-N 3.01Å; N578-R582 WeakPolarHBondContact O-CG 3.43Å; N578-R582 PolarHBondContact O-N 2.6Å; N578-R582 WeakPolarHBondContact OD1-CD 3.15Å; N578-R582 PolarHBondContact OD1-NE 2.97Å
579I98.9Very high98.5Very high0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-59.3-46.1174.2-65.6161.6000110.4I445 M465 V468 I469 A472 I529 M531 T575 A576 I581 R582 L583I445-I579 HydrophobicContact CD1-CB 4.38Å; I445-I579 HydrophobicContact CD1-CG2 3.85Å; M465-I579 HydrophobicContact CE-CG2 4.33Å; V468-I579 HydrophobicContact CG1-CG2 4.39Å; V468-I579 HydrophobicContact CG2-CG2 4.35Å; I469-I579 HydrophobicContact CB-CD1 4.48Å; I469-I579 HydrophobicContact CG1-CD1 4.23Å; A472-I579 HydrophobicContact CB-CD1 4.18Å; A472-I579 HydrophobicContact CB-CG1 3.54Å; I529-I579 HydrophobicContact CD1-CD1 4.36Å; M531-I579 HydrophobicContact CE-CD1 3.33Å; M531-I579 HydrophobicContact SD-CD1 4.24Å; T575-I579 HydrophobicContact CG2-CD1 4.11Å; T575-I579 WeakPolarHBondContact O-CG1 3.34Å; T575-I579 PolarHBondContact O-N 3.44Å; A576-I579 PolarHBondContact O-N 2.88Å; I579-I581 PolarHBondContact O-N 2.94Å; I579-R582 PolarHBondContact O-N 3.19Å; I579-L583 HydrophobicContact CG2-CD1 4.05Å; I579-L583 HydrophobicContact CG2-CG 4.29Å; I579-L583 WeakPolarHBondContact O-CG 3.48Å; I579-L583 PolarHBondContact O-N 3.36Å
580L98.9Very high98.5Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-56.2-49.5177.917858.1000112.1V366 Y368 I392 L396 I411 F413 I445 A576 G577 N578 R582 L583 A584V366-L580 HydrophobicContact CB-CD1 4.22Å; V366-L580 HydrophobicContact CG1-CD1 3.55Å; Y368-L580 HydrophobicContact CD2-CD2 4.33Å; I392-L580 HydrophobicContact CG2-CD2 3.98Å; L396-L580 HydrophobicContact CD1-CD2 3.9Å; I411-L580 HydrophobicContact CD1-CD1 4.31Å; I411-L580 HydrophobicContact CD1-CG 4.26Å; I411-L580 HydrophobicContact CG1-CD1 4.35Å; I411-L580 HydrophobicContact CG2-CD1 3.82Å; I411-L580 HydrophobicContact CG2-CD2 4.26Å; I411-L580 HydrophobicContact CG2-CG 4.44Å; F413-L580 HydrophobicContact CE1-CD2 3.8Å; F413-L580 HydrophobicContact CZ-CD2 3.85Å; I445-L580 HydrophobicContact CD1-CB 3.83Å; I445-L580 HydrophobicContact CD1-CD1 4.16Å; A576-L580 WeakPolarHBondContact O-CB 3.24Å; A576-L580 PolarHBondContact O-N 2.69Å; G577-L580 WeakPolarHBondContact O-CB 3.17Å; G577-L580 PolarHBondContact O-N 3.13Å; N578-L580 VanDerWaalsContact C-N 3.33Å; N578-L580 PolarHBondContact O-N 3.33Å; L580-R582 VanDerWaalsContact C-N 3.35Å; L580-R582 PolarHBondContact O-N 2.72Å; L580-L583 PolarHBondContact O-N 3.39Å; L580-A584 WeakPolarHBondContact O-CB 3.43Å; L580-A584 PolarHBondContact O-N 2.75Å
581I98.9Very high98.4Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-60.7-44.3177.7-67.2163.4000110.5V43 L47 I48 F51 L396 G577 N578 I579 A584 D585V43-I581 HydrophobicContact CG2-CG2 3.97Å; L47-I581 HydrophobicContact CD2-CG2 4.27Å; I48-I581 HydrophobicContact CD1-CG2 4.37Å; I48-I581 HydrophobicContact CG1-CB 4.44Å; I48-I581 HydrophobicContact CG1-CD1 4.5Å; I48-I581 HydrophobicContact CG1-CG2 3.86Å; F51-I581 HydrophobicContact CB-CD1 3.79Å; F51-I581 HydrophobicContact CD1-CD1 3.84Å; F51-I581 HydrophobicContact CD2-CD1 4.08Å; F51-I581 HydrophobicContact CG-CD1 3.6Å; L396-I581 HydrophobicContact CD2-CD1 4.01Å; L396-I581 HydrophobicContact CD2-CG1 4.05Å; G577-I581 VanDerWaalsContact O-CG1 3.26Å; G577-I581 WeakPolarHBondContact O-CG1 3.48Å; G577-I581 PolarHBondContact O-N 3.1Å; N578-I581 PolarHBondContact O-N 3.01Å; I579-I581 PolarHBondContact O-N 2.94Å; I581-A584 PolarHBondContact O-N 3.32Å; I581-D585 HydrophobicContact CG2-CB 4.41Å; I581-D585 WeakPolarHBondContact O-CB 3.4Å; I581-D585 PolarHBondContact O-N 2.93Å
582R98.8Very high98.3Very high15 Ų1510 Ų106%0.0575%0.05CC..Hα-helixtrans-62.8-46179.5-70.7179.4-177.4-73.3-3.7112.4E45 I48 V468 Q475 N578 I579 L580 A584 S586 P590E45-R582 VanDerWaalsContact CD-NH2 3.3Å; E45-R582 IonicContact OE1-CZ 3.06Å; E45-R582 VanDerWaalsContact OE1-CZ 3.25Å; E45-R582 IonicContact OE1-NH1 3.61Å; E45-R582 PolarHBondContact OE1-NH1 3.43Å; E45-R582 IonicContact OE1-NH2 2.8Å; E45-R582 PolarHBondContact OE1-NH2 3.15Å; E45-R582 IonicContact OE2-NH2 3.17Å; E45-R582 PolarHBondContact OE2-NH2 2.83Å; I48-R582 HydrophobicContact CD1-CG 3.97Å; V468-R582 HydrophobicContact CG2-CB 3.8Å; V468-R582 HydrophobicContact CG2-CG 4.42Å; Q475-R582 VanDerWaalsContact CD-NH2 3.32Å; N578-R582 WeakPolarHBondContact O-CG 3.43Å; N578-R582 PolarHBondContact O-N 2.6Å; N578-R582 WeakPolarHBondContact OD1-CD 3.15Å; N578-R582 PolarHBondContact OD1-NE 2.97Å; I579-R582 PolarHBondContact O-N 3.19Å; L580-R582 VanDerWaalsContact C-N 3.35Å; L580-R582 PolarHBondContact O-N 2.72Å; R582-A584 VanDerWaalsContact C-N 3.29Å; R582-A584 PolarHBondContact O-N 3.15Å; R582-S586 WeakPolarHBondContact O-CB 3.41Å; R582-S586 PolarHBondContact O-N 2.87Å; R582-S586 PolarHBondContact O-OG 3.12Å; R582-S586 VanDerWaalsContact O-OG 3.05Å; R582-P590 HydrophobicContact CB-CG 4.34Å
583L98.8Very high98.3Very high0 Ų010.3 Ų10.30%05%0.053CC..Hα-helixtrans-62.8-39.3175.8-64.9180000111.6V366 R409 I445 M465 I579 L580 P590 F591V366-L583 HydrophobicContact CB-CB 4.42Å; V366-L583 HydrophobicContact CG1-CB 3.77Å; V366-L583 HydrophobicContact CG1-CD1 3.94Å; V366-L583 HydrophobicContact CG2-CB 3.73Å; R409-L583 PolarHBondContact NH1-O 2.79Å; I445-L583 HydrophobicContact CD1-CD1 4.03Å; I445-L583 HydrophobicContact CG1-CD1 4.2Å; M465-L583 HydrophobicContact CE-CD1 3.8Å; I579-L583 HydrophobicContact CG2-CD1 4.05Å; I579-L583 HydrophobicContact CG2-CG 4.29Å; I579-L583 WeakPolarHBondContact O-CG 3.48Å; I579-L583 PolarHBondContact O-N 3.36Å; L580-L583 PolarHBondContact O-N 3.39Å; L583-P590 HydrophobicContact CD2-CG 3.83Å; L583-F591 HydrophobicContact CD2-CD1 4.37Å; L583-F591 HydrophobicContact CD2-CE1 3.53Å; L583-F591 HydrophobicContact CD2-CZ 4Å
584A98.8Very high98.2Very high0 Ų012.6 Ų12.60%06%0.062CC..Hα-helixtrans-79-27.6-174.800000113.5V366 P407 R408 R409 I411 L580 I581 R582V366-A584 HydrophobicContact CG2-CB 4.14Å; P407-A584 HydrophobicContact CB-CB 4Å; R408-A584 WeakPolarHBondContact CB-O 3.16Å; R408-A584 PolarHBondContact N-O 2.74Å; R409-A584 WeakPolarHBondContact CB-O 3.42Å; R409-A584 PolarHBondContact N-O 3.34Å; I411-A584 HydrophobicContact CD1-CB 3.67Å; I411-A584 HydrophobicContact CG1-CB 3.6Å; L580-A584 WeakPolarHBondContact O-CB 3.43Å; L580-A584 PolarHBondContact O-N 2.75Å; I581-A584 PolarHBondContact O-N 3.32Å; R582-A584 VanDerWaalsContact C-N 3.29Å; R582-A584 PolarHBondContact O-N 3.15Å
585D98.2Very high98.1Very high15 Ų1510.4 Ų10.48%0.085%0.054CC..Hα-helixtrans-121.9-19.9-165.4-140.229.7000114.5V43 W405 P407 R408 I581V43-D585 HydrophobicContact CB-CB 4.39Å; V43-D585 HydrophobicContact CG2-CB 4.19Å; W405-D585 PolarHBondContact NE1-OD2 2.81Å; P407-D585 WeakPolarHBondContact CA-OD1 3.29Å; R408-D585 PolarHBondContact N-OD1 2.94Å; I581-D585 HydrophobicContact CG2-CB 4.41Å; I581-D585 WeakPolarHBondContact O-CB 3.4Å; I581-D585 PolarHBondContact O-N 2.93Å
586S98.1Very high98Very high8 Ų810.4 Ų10.46%0.0565%0.054CC..  trans-64138.4178.4-70.30000112.1D42 V43 R409 R582 L588D42-S586 WeakPolarHBondContact OD1-CA 3.33Å; V43-S586 WeakPolarHBondContact CB-OG 3.47Å; V43-S586 VanDerWaalsContact CG1-OG 3.25Å; V43-S586 WeakPolarHBondContact CG1-OG 3.16Å; R409-S586 PolarHBondContact NH1-O 2.72Å; R409-S586 PolarHBondContact NH2-O 2.82Å; R582-S586 WeakPolarHBondContact O-CB 3.41Å; R582-S586 PolarHBondContact O-N 2.87Å; R582-S586 PolarHBondContact O-OG 3.12Å; R582-S586 VanDerWaalsContact O-OG 3.05Å; S586-L588 WeakPolarHBondContact CB-O 3.42Å
587L96.5Very high97.9Very high12 Ų1210.5 Ų10.56%0.0636%0.055CC..SBendtrans-58.4-53.2178.917663.3000110.2V39 D42 R409 L648 V656 N660V39-L587 WeakPolarHBondContact O-CD1 3.2Å; D42-L587 HydrophobicContact CB-CB 4.03Å; D42-L587 PolarHBondContact OD1-N 2.77Å; R409-L587 PolarHBondContact NH2-O 3.45Å; L587-L648 HydrophobicContact CD2-CB 4.34Å; L587-V656 HydrophobicContact CD1-CG1 3.87Å; L587-V656 HydrophobicContact CG-CG1 3.93Å; L587-V656 WeakPolarHBondContact O-CG1 3.35Å; L587-N660 PolarHBondContact O-ND2 3.44Å
588L96.6Very high97.9Very high34 Ų3410.9 Ų10.918%0.1786%0.057CC..SBendtrans-95.8136.9169.3-170.973.6000109.2S586 I643 L648 I659 N660 L663S586-L588 WeakPolarHBondContact CB-O 3.42Å; L588-I643 HydrophobicContact CD2-CB 4.47Å; L588-I643 HydrophobicContact CD2-CD1 4.09Å; L588-I643 HydrophobicContact CD2-CG1 4.13Å; L588-I643 HydrophobicContact CD2-CG2 3.5Å; L588-L648 HydrophobicContact CB-CD1 4.31Å; L588-L648 HydrophobicContact CD1-CD1 4.21Å; L588-L648 HydrophobicContact CD2-CD1 3.99Å; L588-L648 HydrophobicContact CG-CD1 4.42Å; L588-I659 HydrophobicContact CD1-CB 4.2Å; L588-I659 HydrophobicContact CD1-CG2 3.54Å; L588-N660 WeakPolarHBondContact CA-OD1 3.48Å; L588-L663 HydrophobicContact CD1-CD1 3.92Å; L588-L663 HydrophobicContact CG-CD1 4.1Å
589L98.2Very high97.8Very high3 Ų311 Ų112%0.0166%0.057CC..  trans-58.2129.9172.9-70179.3000109.8R409 V442 F591 N660 L663 M664R409-L589 VanDerWaalsContact CZ-CD2 3.43Å; V442-L589 HydrophobicContact CB-CD2 4.39Å; V442-L589 HydrophobicContact CG1-CD1 3.92Å; V442-L589 HydrophobicContact CG1-CD2 3.33Å; V442-L589 HydrophobicContact CG1-CG 4.25Å; V442-L589 HydrophobicContact CG2-CD1 4.39Å; V442-L589 HydrophobicContact CG2-CD2 4.14Å; L589-F591 HydrophobicContact CB-CD2 4.09Å; L589-F591 HydrophobicContact CB-CE2 4.46Å; L589-F591 HydrophobicContact CB-CG 4.43Å; L589-F591 HydrophobicContact CD1-CD2 4.23Å; L589-F591 HydrophobicContact CD1-CE2 4.08Å; L589-F591 PolarHBondContact O-N 3.36Å; L589-N660 HydrophobicContact CD1-CB 4.18Å; L589-N660 WeakPolarHBondContact CD1-O 3.35Å; L589-N660 HydrophobicContact CG-CB 4.21Å; L589-N660 PolarHBondContact N-OD1 3.41Å; L589-L663 HydrophobicContact CB-CB 4.44Å; L589-L663 HydrophobicContact CB-CD1 4.09Å; L589-L663 HydrophobicContact CD1-CB 4.41Å; L589-M664 HydrophobicContact CD1-CB 3.92Å
590P97.5Very high97.8Very high31 Ų3111 Ų1120%0.2016%0.057CC..  trans-80.149.7-176.136-38.6000111.3S467 V468 R582 L583S467-P590 PolarHBondContact OG-O 3.29Å; V468-P590 HydrophobicContact CB-CB 4.07Å; V468-P590 HydrophobicContact CB-CG 4Å; V468-P590 HydrophobicContact CG2-CB 4.18Å; V468-P590 HydrophobicContact CG2-CG 3.8Å; R582-P590 HydrophobicContact CB-CG 4.34Å; L583-P590 HydrophobicContact CD2-CG 3.83Å
591F98Very high97.8Very high14 Ų1413.8 Ų13.86%0.0617%0.07CC..  trans-101.9139.2176.7-66.1-23.5000110.6V442 S464 M465 T527 L583 L589 L663V442-F591 HydrophobicContact CG1-CE2 4.12Å; V442-F591 HydrophobicContact CG1-CZ 3.96Å; V442-F591 WeakPolarHBondContact O-CZ 3.46Å; S464-F591 VanDerWaalsContact O-CA 3.31Å; S464-F591 WeakPolarHBondContact O-CA 3.3Å; M465-F591 HydrophobicContact CG-CD1 4.28Å; M465-F591 HydrophobicContact CG-CE1 3.89Å; T527-F591 HydrophobicContact CG2-CE1 4.06Å; T527-F591 HydrophobicContact CG2-CE2 4.36Å; T527-F591 HydrophobicContact CG2-CZ 3.92Å; L583-F591 HydrophobicContact CD2-CD1 4.37Å; L583-F591 HydrophobicContact CD2-CE1 3.53Å; L583-F591 HydrophobicContact CD2-CZ 4Å; L589-F591 HydrophobicContact CB-CD2 4.09Å; L589-F591 HydrophobicContact CB-CE2 4.46Å; L589-F591 HydrophobicContact CB-CG 4.43Å; L589-F591 HydrophobicContact CD1-CD2 4.23Å; L589-F591 HydrophobicContact CD1-CE2 4.08Å; L589-F591 PolarHBondContact O-N 3.36Å; F591-L663 HydrophobicContact CB-CB 4.43Å; F591-L663 HydrophobicContact CB-CD2 4.4Å; F591-L663 HydrophobicContact CD2-CB 4.19Å
592N96.8Very high97.7Very high29 Ų2916 Ų1616%0.1559%0.088CC..  trans-12199179-178.310.8000111.7S464 K594 D595S464-N592 PolarHBondContact O-N 2.85Å; N592-K594 PolarHBondContact O-N 3.17Å; N592-K594 WeakPolarHBondContact OD1-CB 3.31Å; N592-K594 PolarHBondContact OD1-N 3.38Å; N592-K594 VanDerWaalsContact OD1-N 3.15Å; N592-D595 WeakPolarHBondContact CB-OD2 3.39Å; N592-D595 PolarHBondContact ND2-OD1 2.8Å; N592-D595 VanDerWaalsContact ND2-OD1 3.16Å; N592-D595 PolarHBondContact ND2-OD2 2.84Å; N592-D595 PolarHBondContact O-N 2.95Å; N592-D595 VanDerWaalsContact O-N 3.15Å
593C96.9Very high97.6Very high7 Ų715.9 Ų15.95%0.0479%0.088CC..Hα-helixtrans-64.1-21-179.9-59.20000113.5D595 Y596 A597 A636 M666 L737C593-D595 VanDerWaalsContact C-N 3.29Å; C593-D595 PolarHBondContact O-N 3.06Å; C593-Y596 VanDerWaalsContact O-CB 3.29Å; C593-Y596 WeakPolarHBondContact O-CB 3.25Å; C593-Y596 PolarHBondContact O-N 3.12Å; C593-Y596 VanDerWaalsContact O-N 3.16Å; C593-A597 PolarHBondContact O-N 3.36Å; C593-A636 HydrophobicContact CB-CB 3.8Å; C593-M666 HydrophobicContact CB-SD 4.22Å; C593-M666 VanDerWaalsContact SG-SD 3.63Å; C593-L737 HydrophobicContact CB-CD1 4Å
594K96.8Very high97.6Very high49 Ų4916.5 Ų16.521%0.2139%0.091CC..Hα-helixtrans-68.1-29.8176.1-61.5-177.6-63.1-173.60112.5N592 Y596 A597 E598 R633 A636 D640N592-K594 PolarHBondContact O-N 3.17Å; N592-K594 WeakPolarHBondContact OD1-CB 3.31Å; N592-K594 PolarHBondContact OD1-N 3.38Å; N592-K594 VanDerWaalsContact OD1-N 3.15Å; K594-Y596 VanDerWaalsContact C-N 3.26Å; K594-A597 PolarHBondContact O-N 3.23Å; K594-E598 PolarHBondContact O-N 3.01Å; K594-R633 PolarHBondContact O-NH1 3.07Å; K594-A636 HydrophobicContact CG-CB 4.37Å; K594-D640 HydrophobicContact CD-CB 4.01Å; K594-D640 VanDerWaalsContact CE-CG 3.48Å; K594-D640 WeakPolarHBondContact CE-OD2 3.45Å; K594-D640 HydrophobicContact CG-CB 4.46Å; K594-D640 IonicContact NZ-OD1 3.45Å; K594-D640 PolarHBondContact NZ-OD1 2.74Å; K594-D640 IonicContact NZ-OD2 3.92Å; K594-D640 PolarHBondContact NZ-OD2 3.01Å
595D96.9Very high97.6Very high2 Ų221.4 Ų21.41%0.01112%0.117CC..Hα-helixtrans-70.3-29.2174.6-65-26000110.8P463 H501 N592 C593 S599P463-D595 WeakPolarHBondContact O-CB 3.35Å; H501-D595 IonicContact CD2-OD1 3.47Å; H501-D595 IonicContact CE1-OD1 3.38Å; H501-D595 IonicContact NE2-OD1 3.33Å; H501-D595 PolarHBondContact NE2-OD1 3.09Å; N592-D595 WeakPolarHBondContact CB-OD2 3.39Å; N592-D595 PolarHBondContact ND2-OD1 2.8Å; N592-D595 VanDerWaalsContact ND2-OD1 3.16Å; N592-D595 PolarHBondContact ND2-OD2 2.84Å; N592-D595 PolarHBondContact O-N 2.95Å; N592-D595 VanDerWaalsContact O-N 3.15Å; C593-D595 VanDerWaalsContact C-N 3.29Å; C593-D595 PolarHBondContact O-N 3.06Å; D595-S599 PolarHBondContact O-N 3.09Å; D595-S599 PolarHBondContact O-OG 3.4Å
596Y97.2Very high97.6Very high0 Ų022.6 Ų22.60%013%0.125CC..Hα-helixtrans-70.6-44.7172.6-141.3-63000112.2M462 P463 C593 K594 E598 S599 L600 F632 M666 D667 F670 W687M462-Y596 HydrophobicContact CB-CE2 4.35Å; P463-Y596 HydrophobicContact CB-CD2 3.87Å; P463-Y596 HydrophobicContact CB-CG 3.92Å; P463-Y596 HydrophobicContact CG-CD1 4.15Å; P463-Y596 HydrophobicContact CG-CD2 3.86Å; P463-Y596 HydrophobicContact CG-CE1 4.38Å; P463-Y596 HydrophobicContact CG-CE2 4.14Å; P463-Y596 HydrophobicContact CG-CG 3.9Å; C593-Y596 VanDerWaalsContact O-CB 3.29Å; C593-Y596 WeakPolarHBondContact O-CB 3.25Å; C593-Y596 PolarHBondContact O-N 3.12Å; C593-Y596 VanDerWaalsContact O-N 3.16Å; K594-Y596 VanDerWaalsContact C-N 3.26Å; Y596-E598 VanDerWaalsContact C-N 3.25Å; Y596-E598 PolarHBondContact O-N 3.42Å; Y596-S599 WeakPolarHBondContact O-CB 3.07Å; Y596-S599 PolarHBondContact O-N 3.07Å; Y596-L600 HydrophobicContact CD1-CD1 4.13Å; Y596-L600 HydrophobicContact CD1-CD2 4.41Å; Y596-L600 HydrophobicContact CD1-CG 3.97Å; Y596-L600 HydrophobicContact CE1-CD2 4.24Å; Y596-L600 HydrophobicContact CE1-CG 4.3Å; Y596-L600 PolarHBondContact O-N 2.92Å; Y596-F632 HydrophobicContact CD1-CZ 4.41Å; Y596-F632 HydrophobicContact CG-CZ 4.4Å; Y596-M666 HydrophobicContact CD2-CE 3.38Å; Y596-M666 HydrophobicContact CD2-SD 4.36Å; Y596-M666 HydrophobicContact CE2-CE 3.47Å; Y596-M666 VanDerWaalsContact CE2-CE 3.47Å; Y596-M666 HydrophobicContact CG-CE 4.13Å; Y596-D667 WeakPolarHBondContact CE2-OD1 3.24Å; Y596-D667 VanDerWaalsContact CZ-OD1 3.25Å; Y596-D667 PolarHBondContact OH-OD1 3.32Å; Y596-F670 HydrophobicContact CD1-CE2 4.38Å; Y596-F670 HydrophobicContact CD1-CZ 4.42Å; Y596-F670 HydrophobicContact CE1-CD2 4.38Å; Y596-F670 AromaticContact CE1-CE2 3.57Å; Y596-F670 HydrophobicContact CE1-CE2 3.57Å; Y596-F670 AromaticContact CE1-CZ 3.85Å; Y596-F670 HydrophobicContact CE1-CZ 3.85Å; Y596-F670 HydrophobicContact CE2-CE2 4.2Å; Y596-F670 AromaticContact CZ-CD2 3.99Å; Y596-F670 AromaticContact CZ-CE2 3.42Å; Y596-F670 VanDerWaalsContact CZ-CE2 3.42Å; Y596-F670 VanDerWaalsContact OH-CD2 3.26Å; Y596-F670 WeakPolarHBondContact OH-CD2 3.3Å; Y596-F670 WeakPolarHBondContact OH-CE2 3.49Å; Y596-W687 AromaticContact CE1-CZ2 3.7Å; Y596-W687 HydrophobicContact CE1-CZ2 3.7Å; Y596-W687 AromaticContact CZ-CE2 3.99Å; Y596-W687 AromaticContact CZ-CZ2 3.79Å; Y596-W687 AromaticContact CZ-NE1 3.56Å; Y596-W687 PolarHBondContact OH-NE1 3.47Å
597A98.1Very high97.6Very high1 Ų122.2 Ų22.21%0.00812%0.123CC..Hα-helixtrans-57.4-40.1175.400000111.6C593 K594 S599 L600 E601 F632 R633C593-A597 PolarHBondContact O-N 3.36Å; K594-A597 PolarHBondContact O-N 3.23Å; A597-S599 VanDerWaalsContact C-N 3.3Å; A597-S599 PolarHBondContact O-N 2.76Å; A597-L600 PolarHBondContact O-N 2.83Å; A597-E601 VanDerWaalsContact O-CG 3.31Å; A597-E601 WeakPolarHBondContact O-CG 3.37Å; A597-E601 PolarHBondContact O-N 3.45Å; A597-F632 HydrophobicContact CB-CD1 3.78Å; A597-F632 HydrophobicContact CB-CE1 3.93Å; A597-R633 HydrophobicContact CB-CB 4.12Å; A597-R633 VanDerWaalsContact CB-CZ 3.46Å
598E97.7Very high97.7Very high9 Ų923.3 Ų23.34%0.04213%0.13CC..Hα-helixtrans-61.4-37.5174.4-176.3-178.6114.900112.5R496 S498 T500 K594 Y596 A602 R633R496-E598 IonicContact CZ-OE1 2.69Å; R496-E598 IonicContact NH1-OE1 2.97Å; R496-E598 PolarHBondContact NH1-OE1 3.1Å; R496-E598 IonicContact NH2-OE1 3.38Å; R496-E598 PolarHBondContact NH2-OE1 3.01Å; S498-E598 VanDerWaalsContact CB-OE1 3.26Å; S498-E598 WeakPolarHBondContact CB-OE1 3.39Å; S498-E598 VanDerWaalsContact OG-CD 3.25Å; S498-E598 PolarHBondContact OG-OE1 3.45Å; S498-E598 VanDerWaalsContact OG-OE1 3.05Å; S498-E598 PolarHBondContact OG-OE2 2.7Å; T500-E598 WeakPolarHBondContact CB-OE2 3.36Å; T500-E598 PolarHBondContact N-OE2 2.7Å; T500-E598 PolarHBondContact OG1-OE2 2.89Å; K594-E598 PolarHBondContact O-N 3.01Å; Y596-E598 VanDerWaalsContact C-N 3.25Å; Y596-E598 PolarHBondContact O-N 3.42Å; E598-A602 PolarHBondContact O-N 3.08Å; E598-A602 VanDerWaalsContact O-N 3.11Å; E598-R633 VanDerWaalsContact CA-NH2 3.28Å; E598-R633 VanDerWaalsContact N-NH2 3.15Å
599S97.2Very high97.8Very high2 Ų227.3 Ų27.31%0.01416%0.156CC..Hα-helixtrans-72.4-38.8177.7-60.30000112.3P463 Y509 D595 Y596 A597 A602 Y603P463-S599 WeakPolarHBondContact CG-OG 3.34Å; Y509-S599 WeakPolarHBondContact OH-CB 3.29Å; Y509-S599 PolarHBondContact OH-OG 3.14Å; Y509-S599 VanDerWaalsContact OH-OG 3.06Å; D595-S599 PolarHBondContact O-N 3.09Å; D595-S599 PolarHBondContact O-OG 3.4Å; Y596-S599 WeakPolarHBondContact O-CB 3.07Å; Y596-S599 PolarHBondContact O-N 3.07Å; A597-S599 VanDerWaalsContact C-N 3.3Å; A597-S599 PolarHBondContact O-N 2.76Å; S599-A602 PolarHBondContact O-N 3.19Å; S599-Y603 PolarHBondContact O-N 3.27Å
600L98.4Very high97.7Very high0 Ų030.5 Ų30.50%017%0.172CC..Hα-helixtrans-65-40.5175.3-67.9176.4000111.9Y596 A597 Y603 L604 V629 F632 F670 I686 F697 I730Y596-L600 HydrophobicContact CD1-CD1 4.13Å; Y596-L600 HydrophobicContact CD1-CD2 4.41Å; Y596-L600 HydrophobicContact CD1-CG 3.97Å; Y596-L600 HydrophobicContact CE1-CD2 4.24Å; Y596-L600 HydrophobicContact CE1-CG 4.3Å; Y596-L600 PolarHBondContact O-N 2.92Å; A597-L600 PolarHBondContact O-N 2.83Å; L600-Y603 PolarHBondContact O-N 3.43Å; L600-L604 VanDerWaalsContact O-CB 3.32Å; L600-L604 WeakPolarHBondContact O-CB 3.31Å; L600-L604 PolarHBondContact O-N 3.11Å; L600-V629 HydrophobicContact CB-CG1 4.15Å; L600-V629 HydrophobicContact CB-CG2 4.35Å; L600-F632 HydrophobicContact CD1-CB 4.43Å; L600-F632 HydrophobicContact CD1-CD1 3.67Å; L600-F632 HydrophobicContact CD1-CD2 4.22Å; L600-F632 HydrophobicContact CD1-CE1 3.94Å; L600-F632 HydrophobicContact CD1-CE2 4.44Å; L600-F632 HydrophobicContact CD1-CG 3.83Å; L600-F632 HydrophobicContact CD1-CZ 4.31Å; L600-F670 HydrophobicContact CD1-CZ 4.47Å; L600-I686 HydrophobicContact CD2-CD1 3.94Å; L600-I686 HydrophobicContact CD2-CG1 4.31Å; L600-I686 HydrophobicContact CD2-CG2 3.94Å; L600-F697 HydrophobicContact CD2-CE1 4.08Å; L600-I730 HydrophobicContact CD1-CD1 4.49Å; L600-I730 HydrophobicContact CD1-CG1 4.42Å; L600-I730 HydrophobicContact CD1-CG2 4.15Å; L600-I730 HydrophobicContact CD2-CD1 4.02Å; L600-I730 HydrophobicContact CD2-CG1 4.36Å
601E98.6Very high97.7Very high58 Ų5829.5 Ų29.527%0.27117%0.165SC..Hα-helixtrans-61.5-45173.6-73.9167-175.900111.5A597 Y603 L604 D605 V629 R633A597-E601 VanDerWaalsContact O-CG 3.31Å; A597-E601 WeakPolarHBondContact O-CG 3.37Å; A597-E601 PolarHBondContact O-N 3.45Å; E601-Y603 VanDerWaalsContact C-N 3.33Å; E601-Y603 PolarHBondContact O-N 2.8Å; E601-L604 WeakPolarHBondContact O-CB 3.49Å; E601-L604 PolarHBondContact O-N 3.5Å; E601-D605 WeakPolarHBondContact O-CB 3.39Å; E601-D605 VanDerWaalsContact O-CG 3.31Å; E601-D605 PolarHBondContact O-N 3.26Å; E601-V629 HydrophobicContact CB-CG1 4.48Å; E601-V629 HydrophobicContact CG-CG1 3.69Å; E601-R633 IonicContact OE1-CZ 3.35Å; E601-R633 IonicContact OE1-NE 3.98Å; E601-R633 PolarHBondContact OE1-NE 3.13Å; E601-R633 IonicContact OE1-NH2 2.98Å; E601-R633 PolarHBondContact OE1-NH2 2.74Å; E601-R633 IonicContact OE2-CZ 3.74Å; E601-R633 IonicContact OE2-NE 2.8Å; E601-R633 IonicContact OE2-NH2 3.66Å; E601-R633 PolarHBondContact OE2-NH2 3.07Å
602A97.4Very high97.7Very high46 Ų4631.7 Ų31.738%0.3818%0.175SC..Hα-helixtrans-62.4-38.7176.900000112.9E598 S599 T606E598-A602 PolarHBondContact O-N 3.08Å; E598-A602 VanDerWaalsContact O-N 3.11Å; S599-A602 PolarHBondContact O-N 3.19Å; A602-T606 PolarHBondContact O-N 2.75Å; A602-T606 PolarHBondContact O-OG1 3.43Å
603Y97.9Very high97.7Very high13 Ų1338.2 Ų38.25%0.05120%0.202CC..Hα-helixtrans-68-40.8174.7-89.332.3000111.6Y509 N511 S599 L600 E601 T606 A607 I686 W687 T696 F697Y509-Y603 HydrophobicContact CD2-CE1 4.38Å; Y509-Y603 AromaticContact CE2-CE1 3.95Å; Y509-Y603 HydrophobicContact CE2-CE1 3.95Å; N511-Y603 PolarHBondContact ND2-OH 3.45Å; S599-Y603 PolarHBondContact O-N 3.27Å; L600-Y603 PolarHBondContact O-N 3.43Å; E601-Y603 VanDerWaalsContact C-N 3.33Å; E601-Y603 PolarHBondContact O-N 2.8Å; Y603-T606 PolarHBondContact O-N 2.8Å; Y603-A607 PolarHBondContact O-N 2.82Å; Y603-I686 HydrophobicContact CD2-CG2 4.45Å; Y603-W687 HydrophobicContact CD2-CZ3 4.45Å; Y603-W687 HydrophobicContact CE1-CZ3 4.24Å; Y603-W687 HydrophobicContact CE2-CE3 4.12Å; Y603-W687 AromaticContact CE2-CZ3 3.68Å; Y603-W687 HydrophobicContact CE2-CZ3 3.68Å; Y603-W687 AromaticContact CZ-CZ3 3.56Å; Y603-T696 VanDerWaalsContact CD2-C 3.46Å; Y603-T696 PolarHBondContact O-OG1 2.84Å; Y603-F697 HydrophobicContact CD2-CD1 4.08Å; Y603-F697 HydrophobicContact CD2-CE1 4.25Å
604L98.7Very high97.7Very high14 Ų1441.3 Ų41.37%0.07322%0.218CC..Hα-helixtrans-61.9-49.5174.9177.165000111.8L600 E601 T606 A607 V608 L625 I626 V629 F697L600-L604 VanDerWaalsContact O-CB 3.32Å; L600-L604 WeakPolarHBondContact O-CB 3.31Å; L600-L604 PolarHBondContact O-N 3.11Å; E601-L604 WeakPolarHBondContact O-CB 3.49Å; E601-L604 PolarHBondContact O-N 3.5Å; L604-T606 PolarHBondContact O-N 3.19Å; L604-A607 PolarHBondContact O-N 2.8Å; L604-V608 HydrophobicContact CD1-CG2 3.83Å; L604-V608 HydrophobicContact CG-CG2 4.17Å; L604-V608 WeakPolarHBondContact O-CB 3.22Å; L604-V608 WeakPolarHBondContact O-CG2 3.42Å; L604-V608 PolarHBondContact O-N 2.89Å; L604-L625 HydrophobicContact CD1-CD2 4.07Å; L604-L625 HydrophobicContact CD1-CG 3.93Å; L604-I626 HydrophobicContact CD1-CG1 3.99Å; L604-I626 HydrophobicContact CD2-CB 4.44Å; L604-I626 HydrophobicContact CD2-CG1 4.22Å; L604-V629 HydrophobicContact CB-CG2 4.3Å; L604-V629 HydrophobicContact CD2-CB 3.86Å; L604-V629 HydrophobicContact CD2-CG1 3.98Å; L604-V629 HydrophobicContact CD2-CG2 4.02Å; L604-F697 HydrophobicContact CB-CE2 4.39Å
605D98.3Very high97.7Very high102 Ų10239 Ų3955%0.54521%0.208SC..Hα-helixtrans-56.3-41.6178.7-75.9-12.9000110.9E601 T609E601-D605 WeakPolarHBondContact O-CB 3.39Å; E601-D605 VanDerWaalsContact O-CG 3.31Å; E601-D605 PolarHBondContact O-N 3.26Å; D605-T609 WeakPolarHBondContact O-CB 3.44Å; D605-T609 PolarHBondContact O-N 3.36Å; D605-T609 PolarHBondContact O-OG1 3.34Å
606T97.9Very high97.7Very high40 Ų4044 Ų4425%0.24523%0.232CC..Hα-helixtrans-64.9-46.7175-57.70000111.4A602 Y603 L604 T609 L610 P695 T696A602-T606 PolarHBondContact O-N 2.75Å; A602-T606 PolarHBondContact O-OG1 3.43Å; Y603-T606 PolarHBondContact O-N 2.8Å; L604-T606 PolarHBondContact O-N 3.19Å; T606-T609 PolarHBondContact O-N 3.03Å; T606-L610 HydrophobicContact CG2-CD1 3.78Å; T606-L610 HydrophobicContact CG2-CG 4.39Å; T606-L610 WeakPolarHBondContact O-CB 3.31Å; T606-L610 VanDerWaalsContact O-CG 3.26Å; T606-L610 WeakPolarHBondContact O-CG 3.26Å; T606-L610 PolarHBondContact O-N 2.88Å; T606-P695 HydrophobicContact CG2-CG 4.24Å; T606-T696 HydrophobicContact CG2-CG2 4.49Å
607A98.2Very high97.6Very high0 Ų047.8 Ų47.80%026%0.263CS..Hα-helixtrans-61.9-47.2178.900000112Y603 L604 L610 Y611 M622 T696 F697Y603-A607 PolarHBondContact O-N 2.82Å; L604-A607 PolarHBondContact O-N 2.8Å; A607-L610 PolarHBondContact O-N 3.45Å; A607-Y611 HydrophobicContact CB-CD2 4.15Å; A607-Y611 WeakPolarHBondContact O-CB 3.39Å; A607-Y611 WeakPolarHBondContact O-CD2 3.4Å; A607-Y611 PolarHBondContact O-N 2.65Å; A607-M622 HydrophobicContact CB-CE 3.62Å; A607-T696 WeakPolarHBondContact CB-OG1 3.26Å; A607-F697 HydrophobicContact CB-CD2 4.31Å
608V98.4Very high97.5Very high36 Ų3651.6 Ų51.622%0.21828%0.279CS..Hα-helixtrans-60.3-48.6179.1161.80000109.9L604 L610 Q612 M622 I626L604-V608 HydrophobicContact CD1-CG2 3.83Å; L604-V608 HydrophobicContact CG-CG2 4.17Å; L604-V608 WeakPolarHBondContact O-CB 3.22Å; L604-V608 WeakPolarHBondContact O-CG2 3.42Å; L604-V608 PolarHBondContact O-N 2.89Å; V608-L610 VanDerWaalsContact C-N 3.3Å; V608-L610 PolarHBondContact O-N 3.44Å; V608-Q612 HydrophobicContact CG1-CB 4.43Å; V608-Q612 WeakPolarHBondContact O-CB 3.49Å; V608-Q612 PolarHBondContact O-N 2.85Å; V608-M622 HydrophobicContact CG2-CE 3.89Å; V608-M622 HydrophobicContact CG2-SD 4.29Å; V608-I626 HydrophobicContact CG2-CD1 4.34Å; V608-I626 HydrophobicContact CG2-CG1 4.35Å
609T98.3Very high97.4Very high117 Ų11758.7 Ų58.772%0.71832%0.318SS*.Hα-helixtrans-60-40.6178.9-61.80000112.3D605 T606D605-T609 WeakPolarHBondContact O-CB 3.44Å; D605-T609 PolarHBondContact O-N 3.36Å; D605-T609 PolarHBondContact O-OG1 3.34Å; T606-T609 PolarHBondContact O-N 3.03Å
610L97.3Very high97.4Very high70 Ų7059 Ų5937%0.36632%0.319SS..Hα-helixtrans-84.8-34.9-174.6-68.4178.5000113.7T606 A607 V608 K694T606-L610 HydrophobicContact CG2-CD1 3.78Å; T606-L610 HydrophobicContact CG2-CG 4.39Å; T606-L610 WeakPolarHBondContact O-CB 3.31Å; T606-L610 VanDerWaalsContact O-CG 3.26Å; T606-L610 WeakPolarHBondContact O-CG 3.26Å; T606-L610 PolarHBondContact O-N 2.88Å; A607-L610 PolarHBondContact O-N 3.45Å; V608-L610 VanDerWaalsContact C-N 3.3Å; V608-L610 PolarHBondContact O-N 3.44Å; L610-K694 HydrophobicContact CD1-CB 4.32Å; L610-K694 HydrophobicContact CD1-CD 4.18Å; L610-K694 HydrophobicContact CD1-CG 4.31Å
611Y97.6Very high97.4Very high11 Ų1162.2 Ų62.24%0.04334%0.342CS..Hα-helixtrans-123.3-24.7-161.1-49.4-46000114.6A607 K613 D614 L615 K694 T696 I700 F704A607-Y611 HydrophobicContact CB-CD2 4.15Å; A607-Y611 WeakPolarHBondContact O-CB 3.39Å; A607-Y611 WeakPolarHBondContact O-CD2 3.4Å; A607-Y611 PolarHBondContact O-N 2.65Å; Y611-K613 PolarHBondContact O-N 2.99Å; Y611-D614 PolarHBondContact O-N 2.79Å; Y611-D614 VanDerWaalsContact O-N 3.14Å; Y611-L615 VanDerWaalsContact O-CG 3.28Å; Y611-L615 WeakPolarHBondContact O-CG 3.32Å; Y611-L615 PolarHBondContact O-N 3.28Å; Y611-K694 WeakPolarHBondContact OH-CG 3.28Å; Y611-T696 HydrophobicContact CE2-CG2 3.77Å; Y611-I700 HydrophobicContact CD2-CG2 4.01Å; Y611-I700 HydrophobicContact CE2-CG2 4.27Å; Y611-F704 HydrophobicContact CD1-CB 4.29Å; Y611-F704 AromaticContact CD1-CD1 3.61Å; Y611-F704 HydrophobicContact CD1-CD1 3.61Å; Y611-F704 AromaticContact CD1-CD2 3.55Å; Y611-F704 HydrophobicContact CD1-CD2 3.55Å; Y611-F704 AromaticContact CD1-CE1 3.73Å; Y611-F704 HydrophobicContact CD1-CE1 3.73Å; Y611-F704 AromaticContact CD1-CE2 3.66Å; Y611-F704 HydrophobicContact CD1-CE2 3.66Å; Y611-F704 AromaticContact CD1-CG 3.53Å; Y611-F704 HydrophobicContact CD1-CG 3.53Å; Y611-F704 AromaticContact CD1-CZ 3.75Å; Y611-F704 HydrophobicContact CD1-CZ 3.75Å; Y611-F704 HydrophobicContact CE1-CB 4.23Å; Y611-F704 AromaticContact CE1-CD1 3.61Å; Y611-F704 HydrophobicContact CE1-CD1 3.61Å; Y611-F704 HydrophobicContact CE1-CD2 4.27Å; Y611-F704 HydrophobicContact CE1-CE1 4.01Å; Y611-F704 AromaticContact CE1-CG 3.77Å; Y611-F704 HydrophobicContact CE1-CG 3.77Å; Y611-F704 HydrophobicContact CE1-CZ 4.49Å; Y611-F704 AromaticContact CG-CD2 3.89Å; Y611-F704 HydrophobicContact CG-CD2 3.89Å; Y611-F704 HydrophobicContact CG-CE2 4.11Å; Y611-F704 HydrophobicContact CG-CG 4.18Å
612Q97.1Very high97.4Very high59 Ų5959.7 Ų59.728%0.27633%0.33SS..Hα-helixtrans-55-47.8-168.4179173.7-13.200113V608 D614 L615 E616 M622V608-Q612 HydrophobicContact CG1-CB 4.43Å; V608-Q612 WeakPolarHBondContact O-CB 3.49Å; V608-Q612 PolarHBondContact O-N 2.85Å; Q612-D614 VanDerWaalsContact C-N 3.34Å; Q612-D614 PolarHBondContact O-N 2.99Å; Q612-L615 PolarHBondContact O-N 3.28Å; Q612-E616 HydrophobicContact CG-CG 4.25Å; Q612-E616 WeakPolarHBondContact CG-OE1 3.29Å; Q612-E616 PolarHBondContact NE2-OE1 2.88Å; Q612-E616 WeakPolarHBondContact O-CB 3.49Å; Q612-E616 WeakPolarHBondContact O-CG 3.12Å; Q612-E616 PolarHBondContact O-N 3.23Å; Q612-M622 HydrophobicContact CB-SD 3.86Å; Q612-M622 HydrophobicContact CG-SD 4.48Å
613K97.3Very high97.4Very high167 Ų16762.4 Ų62.473%0.72634%0.335SS*.Hα-helixtrans-59.6-43.2-178.1-178.7-173.8171.8-168.80112.7Y611 A617Y611-K613 PolarHBondContact O-N 2.99Å; K613-A617 PolarHBondContact O-N 3.05Å
614D95.8Very high97.4Very high72 Ų7265.5 Ų65.539%0.38536%0.356SS..Hα-helixtrans-75-33.1-178-66.3-26.4000111Y611 Q612 A617 K618 F704 W716Y611-D614 PolarHBondContact O-N 2.79Å; Y611-D614 VanDerWaalsContact O-N 3.14Å; Q612-D614 VanDerWaalsContact C-N 3.34Å; Q612-D614 PolarHBondContact O-N 2.99Å; D614-A617 PolarHBondContact O-N 2.79Å; D614-K618 WeakPolarHBondContact O-CG 3.49Å; D614-K618 PolarHBondContact O-N 3.41Å; D614-F704 HydrophobicContact CB-CE2 3.91Å; D614-F704 HydrophobicContact CB-CZ 3.89Å; D614-W716 HydrophobicContact CB-CH2 4.32Å
615L96.8Very high97.4Very high0 Ų064.8 Ų64.80%035%0.353CS..Hα-helixtrans-68.5-41.1173.7-66.7177.4000112.5Y611 Q612 A617 K618 D619 I620 M622 F704 W716 V719 V723Y611-L615 VanDerWaalsContact O-CG 3.28Å; Y611-L615 WeakPolarHBondContact O-CG 3.32Å; Y611-L615 PolarHBondContact O-N 3.28Å; Q612-L615 PolarHBondContact O-N 3.28Å; L615-A617 VanDerWaalsContact C-N 3.28Å; L615-A617 PolarHBondContact O-N 2.92Å; L615-K618 CarbonylContact O-C 3.6Å; L615-K618 WeakPolarHBondContact O-CA 3.44Å; L615-K618 PolarHBondContact O-N 3.49Å; L615-D619 PolarHBondContact O-N 3.42Å; L615-I620 CarbonylContact C-O 3.54Å; L615-I620 HydrophobicContact CB-CB 4.11Å; L615-I620 HydrophobicContact CB-CG2 4.37Å; L615-I620 WeakPolarHBondContact CB-O 3.37Å; L615-I620 HydrophobicContact CD2-CB 4.29Å; L615-I620 HydrophobicContact CD2-CD1 4.1Å; L615-I620 HydrophobicContact CD2-CG2 4.23Å; L615-I620 PolarHBondContact O-N 3.45Å; L615-M622 HydrophobicContact CD1-CG 3.83Å; L615-M622 HydrophobicContact CD1-SD 3.83Å; L615-F704 HydrophobicContact CD2-CD2 4.29Å; L615-F704 HydrophobicContact CD2-CE2 4.49Å; L615-W716 HydrophobicContact CD2-CE3 3.91Å; L615-W716 HydrophobicContact CD2-CZ3 3.74Å; L615-V719 HydrophobicContact CD2-CB 4.24Å; L615-V719 HydrophobicContact CD2-CG1 3.53Å; L615-V723 HydrophobicContact CD1-CG2 4.46Å
616E96.8Very high97.5Very high107 Ų10762.4 Ų62.450%0.534%0.339SS..Hα-helixtrans-60.5-38.4173.6-76.3173.5179.100111.6Q612 K618 D619Q612-E616 HydrophobicContact CG-CG 4.25Å; Q612-E616 WeakPolarHBondContact CG-OE1 3.29Å; Q612-E616 PolarHBondContact NE2-OE1 2.88Å; Q612-E616 WeakPolarHBondContact O-CB 3.49Å; Q612-E616 WeakPolarHBondContact O-CG 3.12Å; Q612-E616 PolarHBondContact O-N 3.23Å; E616-K618 PolarHBondContact O-N 3.48Å; E616-K618 VanDerWaalsContact O-N 3.15Å; E616-D619 PolarHBondContact O-N 3Å; E616-D619 VanDerWaalsContact O-N 3.12Å
617A95.6Very high97.5Very high80 Ų8064.9 Ų64.966%0.66135%0.348SS*.THydrogen-bonded Turntrans-66.3-11.9174.300000113.7K613 D614 L615K613-A617 PolarHBondContact O-N 3.05Å; D614-A617 PolarHBondContact O-N 2.79Å; L615-A617 VanDerWaalsContact C-N 3.28Å; L615-A617 PolarHBondContact O-N 2.92Å
618K95.9Very high97.5Very high80 Ų8065 Ų6535%0.34835%0.349SS..THydrogen-bonded Turntrans-111.814.7176.6-63.9-67.5-177.1-179.20112.7D614 L615 E616 I620 D713 W716D614-K618 WeakPolarHBondContact O-CG 3.49Å; D614-K618 PolarHBondContact O-N 3.41Å; L615-K618 CarbonylContact O-C 3.6Å; L615-K618 WeakPolarHBondContact O-CA 3.44Å; L615-K618 PolarHBondContact O-N 3.49Å; E616-K618 PolarHBondContact O-N 3.48Å; E616-K618 VanDerWaalsContact O-N 3.15Å; K618-I620 HydrophobicContact CB-CD1 4.16Å; K618-I620 HydrophobicContact CB-CG1 4.43Å; K618-I620 PolarHBondContact O-N 3.15Å; K618-D713 IonicContact NZ-OD1 3.1Å; K618-D713 PolarHBondContact NZ-OD1 3.04Å; K618-W716 HydrophobicContact CB-CD2 4.39Å; K618-W716 HydrophobicContact CB-CE3 4.4Å; K618-W716 HydrophobicContact CD-CD2 4.17Å; K618-W716 HydrophobicContact CD-CG 4.08Å; K618-W716 HydrophobicContact CG-CD2 3.69Å; K618-W716 HydrophobicContact CG-CE3 3.95Å; K618-W716 HydrophobicContact CG-CG 4.01Å; K618-W716 HydrophobicContact CG-CZ2 4.42Å; K618-W716 HydrophobicContact CG-CZ3 4.41Å
619D96.4Very high97.5Very high159 Ų15963.4 Ų63.485%0.8534%0.339SS*.THydrogen-bonded Turntrans58.329.4-177.6-59.5-54.3000113.8L615 E616L615-D619 PolarHBondContact O-N 3.42Å; E616-D619 PolarHBondContact O-N 3Å; E616-D619 VanDerWaalsContact O-N 3.12Å
620I97.8Very high97.6Very high9 Ų960.2 Ų60.25%0.04633%0.325CS..  trans-106113.6176.6-60.6166.2000108.8L615 K618 W716 H720L615-I620 CarbonylContact C-O 3.54Å; L615-I620 HydrophobicContact CB-CB 4.11Å; L615-I620 HydrophobicContact CB-CG2 4.37Å; L615-I620 WeakPolarHBondContact CB-O 3.37Å; L615-I620 HydrophobicContact CD2-CB 4.29Å; L615-I620 HydrophobicContact CD2-CD1 4.1Å; L615-I620 HydrophobicContact CD2-CG2 4.23Å; L615-I620 PolarHBondContact O-N 3.45Å; K618-I620 HydrophobicContact CB-CD1 4.16Å; K618-I620 HydrophobicContact CB-CG1 4.43Å; K618-I620 PolarHBondContact O-N 3.15Å; I620-W716 HydrophobicContact CD1-CB 4.1Å; I620-W716 HydrophobicContact CD1-CE3 4.46Å; I620-W716 WeakPolarHBondContact CD1-O 3.16Å; I620-H720 HydrophobicContact CD1-CB 3.89Å; I620-H720 HydrophobicContact CG1-CB 3.95Å; I620-H720 HydrophobicContact CG2-CB 4.04Å
621S97.6Very high97.6Very high67 Ų6758.8 Ų58.847%0.46932%0.318SS..  trans-88.2134.9179.2-175.30000112.1E623S621-E623 WeakPolarHBondContact OG-CB 3.25Å; S621-E623 PolarHBondContact OG-N 3.29Å
622M98.1Very high97.7Very high5 Ų558.3 Ų58.33%0.02532%0.315CS..  trans-88.4-3.7169.5-67.5-171.572.300113.4A607 V608 Q612 L615 P624 L625 I626A607-M622 HydrophobicContact CB-CE 3.62Å; V608-M622 HydrophobicContact CG2-CE 3.89Å; V608-M622 HydrophobicContact CG2-SD 4.29Å; Q612-M622 HydrophobicContact CB-SD 3.86Å; Q612-M622 HydrophobicContact CG-SD 4.48Å; L615-M622 HydrophobicContact CD1-CG 3.83Å; L615-M622 HydrophobicContact CD1-SD 3.83Å; M622-P624 VanDerWaalsContact C-CD 3.46Å; M622-L625 HydrophobicContact CE-CD2 4.12Å; M622-L625 WeakPolarHBondContact O-CB 3.43Å; M622-L625 PolarHBondContact O-N 3.44Å; M622-I626 HydrophobicContact CB-CD1 4.44Å; M622-I626 WeakPolarHBondContact O-CG1 3.11Å; M622-I626 PolarHBondContact O-N 2.66Å
623E98.3Very high97.7Very high103 Ų10357.2 Ų57.248%0.48131%0.309SS..Hα-helixtrans-55.4-41.4-176.8-172.161.6-156.900113.7S621 L625 I626 Q627S621-E623 WeakPolarHBondContact OG-CB 3.25Å; S621-E623 PolarHBondContact OG-N 3.29Å; E623-L625 VanDerWaalsContact C-N 3.26Å; E623-L625 PolarHBondContact O-N 2.94Å; E623-I626 PolarHBondContact O-N 3.48Å; E623-Q627 WeakPolarHBondContact O-CB 3.43Å; E623-Q627 PolarHBondContact O-N 2.92Å
624P98.3Very high97.8Very high77 Ų7756.4 Ų56.450%0.531%0.305SS..Hα-helixtrans-59.7-37.1176.1-24.735.8000113.2M622 A628 A727M622-P624 VanDerWaalsContact C-CD 3.46Å; P624-A628 WeakPolarHBondContact O-CB 3.42Å; P624-A628 PolarHBondContact O-N 2.92Å; P624-A727 HydrophobicContact CB-CB 4.24Å
625L98.7Very high97.9Very high0 Ų053.1 Ų53.10%029%0.288CS..Hα-helixtrans-71.7-41.3177.7178.861.3000111.3L604 M622 E623 Q627 A628 V629 F697 I700 V723 V726 A727 I730L604-L625 HydrophobicContact CD1-CD2 4.07Å; L604-L625 HydrophobicContact CD1-CG 3.93Å; M622-L625 HydrophobicContact CE-CD2 4.12Å; M622-L625 WeakPolarHBondContact O-CB 3.43Å; M622-L625 PolarHBondContact O-N 3.44Å; E623-L625 VanDerWaalsContact C-N 3.26Å; E623-L625 PolarHBondContact O-N 2.94Å; L625-Q627 VanDerWaalsContact C-N 3.33Å; L625-Q627 PolarHBondContact O-N 3.25Å; L625-A628 PolarHBondContact O-N 3.08Å; L625-V629 HydrophobicContact CD1-CG2 4.48Å; L625-V629 WeakPolarHBondContact O-CG2 3.35Å; L625-V629 PolarHBondContact O-N 2.65Å; L625-V629 VanDerWaalsContact O-N 3.08Å; L625-F697 HydrophobicContact CD1-CE2 4.37Å; L625-F697 HydrophobicContact CD1-CZ 4.44Å; L625-F697 HydrophobicContact CD2-CD2 4.12Å; L625-F697 HydrophobicContact CD2-CE2 3.9Å; L625-F697 HydrophobicContact CG-CE2 4.49Å; L625-I700 HydrophobicContact CD2-CD1 3.82Å; L625-V723 HydrophobicContact CB-CG1 4.44Å; L625-V726 HydrophobicContact CD1-CB 4.19Å; L625-V726 HydrophobicContact CD1-CG1 3.56Å; L625-A727 HydrophobicContact CB-CB 4.13Å; L625-A727 HydrophobicContact CD1-CB 4.3Å; L625-I730 HydrophobicContact CD1-CD1 3.83Å
626I98.8Very high98Very high52 Ų5253.2 Ų53.227%0.26729%0.289SS..Hα-helixtrans-58.2-48.2174.9-66.4167.8000110.1L604 V608 M622 E623 V629 A630L604-I626 HydrophobicContact CD1-CG1 3.99Å; L604-I626 HydrophobicContact CD2-CB 4.44Å; L604-I626 HydrophobicContact CD2-CG1 4.22Å; V608-I626 HydrophobicContact CG2-CD1 4.34Å; V608-I626 HydrophobicContact CG2-CG1 4.35Å; M622-I626 HydrophobicContact CB-CD1 4.44Å; M622-I626 WeakPolarHBondContact O-CG1 3.11Å; M622-I626 PolarHBondContact O-N 2.66Å; E623-I626 PolarHBondContact O-N 3.48Å; I626-V629 PolarHBondContact O-N 3.21Å; I626-A630 PolarHBondContact O-N 2.87Å; I626-A630 VanDerWaalsContact O-N 3.13Å
627Q98.7Very high98Very high92 Ų9251.9 Ų51.943%0.4328%0.283SS..Hα-helixtrans-65-40.5179.4-171.759.766.200112.1E623 L625 V629 A630 N631E623-Q627 WeakPolarHBondContact O-CB 3.43Å; E623-Q627 PolarHBondContact O-N 2.92Å; L625-Q627 VanDerWaalsContact C-N 3.33Å; L625-Q627 PolarHBondContact O-N 3.25Å; Q627-V629 PolarHBondContact O-N 3.11Å; Q627-A630 PolarHBondContact O-N 3.43Å; Q627-N631 PolarHBondContact NE2-OD1 2.77Å; Q627-N631 WeakPolarHBondContact O-CB 3.36Å; Q627-N631 PolarHBondContact O-N 3Å
628A98.8Very high98.1Very high2 Ų252.9 Ų52.92%0.01727%0.274CS..Hα-helixtrans-61.1-44.6178.300000112.2P624 L625 A630 N631 F632 A727 I730 E731P624-A628 WeakPolarHBondContact O-CB 3.42Å; P624-A628 PolarHBondContact O-N 2.92Å; L625-A628 PolarHBondContact O-N 3.08Å; A628-A630 PolarHBondContact O-N 3.05Å; A628-N631 PolarHBondContact O-N 3.29Å; A628-F632 PolarHBondContact O-N 3.28Å; A628-A727 HydrophobicContact CB-CB 4.45Å; A628-A727 WeakPolarHBondContact CB-O 3.43Å; A628-I730 HydrophobicContact CB-CB 4.05Å; A628-I730 HydrophobicContact CB-CG2 3.95Å; A628-I730 WeakPolarHBondContact O-CG2 3.39Å; A628-E731 WeakPolarHBondContact CA-OE2 3.28Å; A628-E731 HydrophobicContact CB-CB 4.3Å
629V98.8Very high98.1Very high2 Ų249.4 Ų49.41%0.01226%0.259CS..Hα-helixtrans-63.2-42176.4173.10000111.3L600 E601 L604 L625 I626 Q627 N631 F632 R633 I730L600-V629 HydrophobicContact CB-CG1 4.15Å; L600-V629 HydrophobicContact CB-CG2 4.35Å; E601-V629 HydrophobicContact CB-CG1 4.48Å; E601-V629 HydrophobicContact CG-CG1 3.69Å; L604-V629 HydrophobicContact CB-CG2 4.3Å; L604-V629 HydrophobicContact CD2-CB 3.86Å; L604-V629 HydrophobicContact CD2-CG1 3.98Å; L604-V629 HydrophobicContact CD2-CG2 4.02Å; L625-V629 HydrophobicContact CD1-CG2 4.48Å; L625-V629 WeakPolarHBondContact O-CG2 3.35Å; L625-V629 PolarHBondContact O-N 2.65Å; L625-V629 VanDerWaalsContact O-N 3.08Å; I626-V629 PolarHBondContact O-N 3.21Å; Q627-V629 PolarHBondContact O-N 3.11Å; V629-N631 PolarHBondContact O-N 3.4Å; V629-F632 PolarHBondContact O-N 3.3Å; V629-R633 PolarHBondContact O-N 2.98Å; V629-I730 HydrophobicContact CG2-CD1 3.85Å; V629-I730 HydrophobicContact CG2-CG2 4.32Å
630A98.7Very high98Very high50 Ų5043.5 Ų43.541%0.41323%0.227SC..Hα-helixtrans-63.7-39.7175.900000112.5I626 Q627 A628 R633 K634I626-A630 PolarHBondContact O-N 2.87Å; I626-A630 VanDerWaalsContact O-N 3.13Å; Q627-A630 PolarHBondContact O-N 3.43Å; A628-A630 PolarHBondContact O-N 3.05Å; A630-R633 PolarHBondContact O-N 3.43Å; A630-K634 PolarHBondContact O-N 3.12Å
631N98.6Very high97.9Very high41 Ų4148.3 Ų48.322%0.21925%0.248CC..Hα-helixtrans-65.3-43.1176-72.3-11.9000111.5Q627 A628 V629 R633 K634 A635 E731 A734Q627-N631 PolarHBondContact NE2-OD1 2.77Å; Q627-N631 WeakPolarHBondContact O-CB 3.36Å; Q627-N631 PolarHBondContact O-N 3Å; A628-N631 PolarHBondContact O-N 3.29Å; V629-N631 PolarHBondContact O-N 3.4Å; N631-R633 PolarHBondContact O-N 2.62Å; N631-K634 PolarHBondContact O-N 3.44Å; N631-A635 WeakPolarHBondContact O-CB 3.43Å; N631-A635 PolarHBondContact O-N 2.91Å; N631-E731 WeakPolarHBondContact CB-OE2 3.26Å; N631-E731 VanDerWaalsContact ND2-CD 3.3Å; N631-E731 PolarHBondContact ND2-OE1 2.83Å; N631-E731 PolarHBondContact ND2-OE2 3.12Å; N631-A734 HydrophobicContact CB-CB 4.48Å
632F98.7Very high97.8Very high0 Ų047.4 Ų47.40%024%0.239CC..Hα-helixtrans-59.2-46.8174.6-175.2-82.6000111.9Y596 A597 L600 A628 V629 K634 A635 A636 M666 F670 I730 A733 A734 L737Y596-F632 HydrophobicContact CD1-CZ 4.41Å; Y596-F632 HydrophobicContact CG-CZ 4.4Å; A597-F632 HydrophobicContact CB-CD1 3.78Å; A597-F632 HydrophobicContact CB-CE1 3.93Å; L600-F632 HydrophobicContact CD1-CB 4.43Å; L600-F632 HydrophobicContact CD1-CD1 3.67Å; L600-F632 HydrophobicContact CD1-CD2 4.22Å; L600-F632 HydrophobicContact CD1-CE1 3.94Å; L600-F632 HydrophobicContact CD1-CE2 4.44Å; L600-F632 HydrophobicContact CD1-CG 3.83Å; L600-F632 HydrophobicContact CD1-CZ 4.31Å; A628-F632 PolarHBondContact O-N 3.28Å; V629-F632 PolarHBondContact O-N 3.3Å; F632-K634 VanDerWaalsContact C-N 3.33Å; F632-K634 PolarHBondContact O-N 3.42Å; F632-A635 PolarHBondContact O-N 3.35Å; F632-A636 HydrophobicContact CE1-CB 4.46Å; F632-A636 WeakPolarHBondContact O-CB 3.46Å; F632-A636 PolarHBondContact O-N 3.45Å; F632-M666 HydrophobicContact CE2-CG 4.22Å; F632-M666 HydrophobicContact CE2-SD 4.16Å; F632-M666 HydrophobicContact CZ-CG 4.39Å; F632-M666 HydrophobicContact CZ-SD 3.72Å; F632-F670 AromaticContact CE2-CZ 3.97Å; F632-F670 HydrophobicContact CE2-CZ 3.97Å; F632-F670 HydrophobicContact CZ-CZ 4.47Å; F632-I730 HydrophobicContact CB-CG2 3.83Å; F632-I730 HydrophobicContact CG-CG2 4.39Å; F632-A733 HydrophobicContact CD2-CB 3.99Å; F632-A733 HydrophobicContact CE2-CB 3.85Å; F632-A734 HydrophobicContact CB-CB 4.07Å; F632-A734 HydrophobicContact CD2-CB 4.29Å; F632-L737 HydrophobicContact CD2-CD1 4.43Å; F632-L737 HydrophobicContact CE2-CD1 3.89Å; F632-L737 HydrophobicContact CZ-CD1 3.95Å
633R98.3Very high97.6Very high37 Ų3748.6 Ų48.614%0.1425%0.246CC..Hα-helixtrans-54.4-49.7174.5169.564.374.9-171.76.2111.2K594 A597 E598 E601 V629 A630 N631 A635 A636 E637K594-R633 PolarHBondContact O-NH1 3.07Å; A597-R633 HydrophobicContact CB-CB 4.12Å; A597-R633 VanDerWaalsContact CB-CZ 3.46Å; E598-R633 VanDerWaalsContact CA-NH2 3.28Å; E598-R633 VanDerWaalsContact N-NH2 3.15Å; E601-R633 IonicContact OE1-CZ 3.35Å; E601-R633 IonicContact OE1-NE 3.98Å; E601-R633 PolarHBondContact OE1-NE 3.13Å; E601-R633 IonicContact OE1-NH2 2.98Å; E601-R633 PolarHBondContact OE1-NH2 2.74Å; E601-R633 IonicContact OE2-CZ 3.74Å; E601-R633 IonicContact OE2-NE 2.8Å; E601-R633 IonicContact OE2-NH2 3.66Å; E601-R633 PolarHBondContact OE2-NH2 3.07Å; V629-R633 PolarHBondContact O-N 2.98Å; A630-R633 PolarHBondContact O-N 3.43Å; N631-R633 PolarHBondContact O-N 2.62Å; R633-A635 PolarHBondContact O-N 3.14Å; R633-A636 PolarHBondContact O-N 2.87Å; R633-E637 WeakPolarHBondContact O-CG 3.37Å; R633-E637 PolarHBondContact O-N 2.79Å
634K98.3Very high97.3Very high149 Ų14950.1 Ų50.165%0.64825%0.253SS*.Hα-helixtrans-61.7-43.1179.7-177.6-177.4174.6-171.80112.2A630 N631 F632 E637 Q638A630-K634 PolarHBondContact O-N 3.12Å; N631-K634 PolarHBondContact O-N 3.44Å; F632-K634 VanDerWaalsContact C-N 3.33Å; F632-K634 PolarHBondContact O-N 3.42Å; K634-E637 PolarHBondContact O-N 2.96Å; K634-Q638 WeakPolarHBondContact O-CB 3.41Å; K634-Q638 PolarHBondContact O-N 2.98Å
635A98.3Very high97Very high3 Ų351.2 Ų51.23%0.02526%0.262CS..Hα-helixtrans-65.5-43.4178.400000111.5N631 F632 R633 E637 Q638 L639 A734 L737N631-A635 WeakPolarHBondContact O-CB 3.43Å; N631-A635 PolarHBondContact O-N 2.91Å; F632-A635 PolarHBondContact O-N 3.35Å; R633-A635 PolarHBondContact O-N 3.14Å; A635-E637 PolarHBondContact O-N 3.17Å; A635-Q638 PolarHBondContact O-N 2.86Å; A635-L639 PolarHBondContact O-N 3.29Å; A635-A734 HydrophobicContact CB-CB 4.15Å; A635-A734 WeakPolarHBondContact CB-O 3.43Å; A635-L737 HydrophobicContact CB-CB 4Å
636A97.9Very high96.6Very high2 Ų252.1 Ų52.12%0.01727%0.269CS..Hα-helixtrans-61.3-42175.200000112.5C593 K594 F632 R633 Q638 D640 L737C593-A636 HydrophobicContact CB-CB 3.8Å; K594-A636 HydrophobicContact CG-CB 4.37Å; F632-A636 HydrophobicContact CE1-CB 4.46Å; F632-A636 WeakPolarHBondContact O-CB 3.46Å; F632-A636 PolarHBondContact O-N 3.45Å; R633-A636 PolarHBondContact O-N 2.87Å; A636-Q638 VanDerWaalsContact C-N 3.34Å; A636-D640 WeakPolarHBondContact O-CB 3.27Å; A636-D640 PolarHBondContact O-N 2.9Å; A636-L737 HydrophobicContact CB-CD1 4.11Å
637E97.3Very high96Very high80 Ų8054 Ų5437%0.37428%0.279SS..Hα-helixtrans-65-37.4174.1-74.4179.6178.200112.7R633 K634 A635 K641R633-E637 WeakPolarHBondContact O-CG 3.37Å; R633-E637 PolarHBondContact O-N 2.79Å; K634-E637 PolarHBondContact O-N 2.96Å; A635-E637 PolarHBondContact O-N 3.17Å; E637-K641 VanDerWaalsContact O-CG 3.29Å; E637-K641 WeakPolarHBondContact O-CG 3.39Å; E637-K641 PolarHBondContact O-N 2.84Å
638Q96.9Very high95.4Very high101 Ų10150.9 Ų50.947%0.47227%0.265SS..Hα-helixtrans-68.3-44.4178.6-175.760.322.100111.3K634 A635 A636 D640 K641 V642K634-Q638 WeakPolarHBondContact O-CB 3.41Å; K634-Q638 PolarHBondContact O-N 2.98Å; A635-Q638 PolarHBondContact O-N 2.86Å; A636-Q638 VanDerWaalsContact C-N 3.34Å; Q638-D640 VanDerWaalsContact C-N 3.33Å; Q638-D640 PolarHBondContact O-N 2.72Å; Q638-K641 WeakPolarHBondContact O-CB 3.37Å; Q638-K641 PolarHBondContact O-N 2.93Å; Q638-V642 WeakPolarHBondContact O-CG2 3.31Å; Q638-V642 PolarHBondContact O-N 3.25Å
639L96.5Very high94.6Very high7 Ų753 Ų534%0.03728%0.283CS..Hα-helixtrans-60.2-43.8174.9-177.761.4000111.4A635 K641 V642 I643 I659 L663 L737A635-L639 PolarHBondContact O-N 3.29Å; L639-K641 VanDerWaalsContact C-N 3.35Å; L639-K641 PolarHBondContact O-N 2.81Å; L639-V642 WeakPolarHBondContact O-CB 3.29Å; L639-V642 PolarHBondContact O-N 3.1Å; L639-V642 VanDerWaalsContact O-N 3.16Å; L639-I643 HydrophobicContact CD1-CD1 4.4Å; L639-I643 HydrophobicContact CG-CD1 4Å; L639-I643 WeakPolarHBondContact O-CG1 3.48Å; L639-I643 PolarHBondContact O-N 3.2Å; L639-I659 HydrophobicContact CD1-CG2 4.23Å; L639-L663 HydrophobicContact CD2-CD2 3.89Å; L639-L737 HydrophobicContact CD2-CB 4.4Å; L639-L737 HydrophobicContact CD2-CD2 3.82Å
640D95.6Very high93.9Very high34 Ų3459.3 Ų59.318%0.18232%0.316CS..Hα-helixtrans-60.4-41.5175.8179.370.7000112.2K594 A636 Q638 V642 I643 Q644K594-D640 HydrophobicContact CD-CB 4.01Å; K594-D640 VanDerWaalsContact CE-CG 3.48Å; K594-D640 WeakPolarHBondContact CE-OD2 3.45Å; K594-D640 HydrophobicContact CG-CB 4.46Å; K594-D640 IonicContact NZ-OD1 3.45Å; K594-D640 PolarHBondContact NZ-OD1 2.74Å; K594-D640 IonicContact NZ-OD2 3.92Å; K594-D640 PolarHBondContact NZ-OD2 3.01Å; A636-D640 WeakPolarHBondContact O-CB 3.27Å; A636-D640 PolarHBondContact O-N 2.9Å; Q638-D640 VanDerWaalsContact C-N 3.33Å; Q638-D640 PolarHBondContact O-N 2.72Å; D640-V642 PolarHBondContact O-N 3.2Å; D640-I643 PolarHBondContact O-N 2.93Å; D640-Q644 WeakPolarHBondContact O-CB 3.27Å; D640-Q644 VanDerWaalsContact O-CG 3.31Å; D640-Q644 WeakPolarHBondContact O-CG 3.43Å; D640-Q644 PolarHBondContact O-N 3.15Å; D640-Q644 PolarHBondContact OD1-NE2 3.33Å; D640-Q644 PolarHBondContact OD2-NE2 2.65Å
641K95.6Very high93.2Very high111 Ų11160.2 Ų60.248%0.48331%0.312SS..Hα-helixtrans-62.5-41.3173.1-73.5168.5-169.6165.80112.2E637 Q638 L639 I643 Q644 S645E637-K641 VanDerWaalsContact O-CG 3.29Å; E637-K641 WeakPolarHBondContact O-CG 3.39Å; E637-K641 PolarHBondContact O-N 2.84Å; Q638-K641 WeakPolarHBondContact O-CB 3.37Å; Q638-K641 PolarHBondContact O-N 2.93Å; L639-K641 VanDerWaalsContact C-N 3.35Å; L639-K641 PolarHBondContact O-N 2.81Å; K641-I643 VanDerWaalsContact C-N 3.35Å; K641-Q644 PolarHBondContact O-N 2.92Å; K641-S645 VanDerWaalsContact O-CB 3.3Å; K641-S645 WeakPolarHBondContact O-CB 3.41Å; K641-S645 PolarHBondContact O-N 2.85Å; K641-S645 PolarHBondContact O-OG 3.17Å
642V93.8Very high92.7Very high47 Ų4762.2 Ų62.229%0.28533%0.326SS..Hα-helixtrans-62.5-43.9176.5170.30000110.6Q638 L639 D640 S645 S646Q638-V642 WeakPolarHBondContact O-CG2 3.31Å; Q638-V642 PolarHBondContact O-N 3.25Å; L639-V642 WeakPolarHBondContact O-CB 3.29Å; L639-V642 PolarHBondContact O-N 3.1Å; L639-V642 VanDerWaalsContact O-N 3.16Å; D640-V642 PolarHBondContact O-N 3.2Å; V642-S645 PolarHBondContact O-OG 3.32Å; V642-S646 WeakPolarHBondContact O-CB 3.32Å; V642-S646 PolarHBondContact O-N 2.93Å; V642-S646 PolarHBondContact O-OG 2.63Å
643I93.9Very high92.3Very high31 Ų3165.3 Ų65.316%0.15935%0.346CS..Hα-helixtrans-60.6-51.4176.3-72.6162.4000110.6L588 L639 D640 K641 S645 S646 L648 I659L588-I643 HydrophobicContact CD2-CB 4.47Å; L588-I643 HydrophobicContact CD2-CD1 4.09Å; L588-I643 HydrophobicContact CD2-CG1 4.13Å; L588-I643 HydrophobicContact CD2-CG2 3.5Å; L639-I643 HydrophobicContact CD1-CD1 4.4Å; L639-I643 HydrophobicContact CG-CD1 4Å; L639-I643 WeakPolarHBondContact O-CG1 3.48Å; L639-I643 PolarHBondContact O-N 3.2Å; D640-I643 PolarHBondContact O-N 2.93Å; K641-I643 VanDerWaalsContact C-N 3.35Å; I643-S645 VanDerWaalsContact C-N 3.34Å; I643-S645 PolarHBondContact O-N 3.02Å; I643-S646 PolarHBondContact O-N 2.94Å; I643-L648 HydrophobicContact CG2-CD1 4.31Å; I643-I659 HydrophobicContact CD1-CG2 3.99Å; I643-I659 HydrophobicContact CG1-CG2 3.88Å
644Q93.3Very high91.9Very high135 Ų13570.2 Ų70.263%0.63137%0.374SS*.Hα-helixtrans-69.4-28.3-175.7-71.3174.516.600113.9D640 K641D640-Q644 WeakPolarHBondContact O-CB 3.27Å; D640-Q644 VanDerWaalsContact O-CG 3.31Å; D640-Q644 WeakPolarHBondContact O-CG 3.43Å; D640-Q644 PolarHBondContact O-N 3.15Å; D640-Q644 PolarHBondContact OD1-NE2 3.33Å; D640-Q644 PolarHBondContact OD2-NE2 2.65Å; K641-Q644 PolarHBondContact O-N 2.92Å
645S92.3Very high91.6Very high99 Ų9966.2 Ų66.269%0.69236%0.357SS*.Hα-helixtrans-88.2-10.1178.8590000114K641 V642 I643K641-S645 VanDerWaalsContact O-CB 3.3Å; K641-S645 WeakPolarHBondContact O-CB 3.41Å; K641-S645 PolarHBondContact O-N 2.85Å; K641-S645 PolarHBondContact O-OG 3.17Å; V642-S645 PolarHBondContact O-OG 3.32Å; I643-S645 VanDerWaalsContact C-N 3.34Å; I643-S645 PolarHBondContact O-N 3.02Å
646S88.9Confident91.4Very high20 Ų2066.2 Ų66.214%0.1436%0.356CS..SBendtrans-92.3136.7179-630000111.5V642 I643 L648 K655V642-S646 WeakPolarHBondContact O-CB 3.32Å; V642-S646 PolarHBondContact O-N 2.93Å; V642-S646 PolarHBondContact O-OG 2.63Å; I643-S646 PolarHBondContact O-N 2.94Å; S646-L648 VanDerWaalsContact C-N 3.26Å; S646-L648 PolarHBondContact O-N 3.15Å; S646-K655 PolarHBondContact OG-NZ 3.1Å
647D87.7Confident91.3Very high92 Ų9268.5 Ų68.549%0.49237%0.365SS..  trans-83.472.7167.8-175.50.9000109.8A649 N650 E651D647-A649 PolarHBondContact O-N 3.41Å; D647-N650 CarbonylContact O-C 3.53Å; D647-N650 PolarHBondContact O-N 3.16Å; D647-N650 PolarHBondContact OD1-ND2 3.25Å; D647-N650 PolarHBondContact OD2-ND2 3.4Å; D647-E651 VanDerWaalsContact O-CG 3.25Å; D647-E651 WeakPolarHBondContact O-CG 3.22Å; D647-E651 PolarHBondContact O-N 2.88Å
648L85.8Confident91.2Very high25 Ų2568.7 Ų68.713%0.13136%0.364CS..THydrogen-bonded Turntrans-56-27-168.7-64.1176.5000114.1L587 L588 I643 S646 N650 V656 I659L587-L648 HydrophobicContact CD2-CB 4.34Å; L588-L648 HydrophobicContact CB-CD1 4.31Å; L588-L648 HydrophobicContact CD1-CD1 4.21Å; L588-L648 HydrophobicContact CD2-CD1 3.99Å; L588-L648 HydrophobicContact CG-CD1 4.42Å; I643-L648 HydrophobicContact CG2-CD1 4.31Å; S646-L648 VanDerWaalsContact C-N 3.26Å; S646-L648 PolarHBondContact O-N 3.15Å; L648-N650 VanDerWaalsContact C-N 3.32Å; L648-V656 HydrophobicContact CB-CG2 4.31Å; L648-V656 HydrophobicContact CD2-CG2 4.28Å; L648-I659 HydrophobicContact CD2-CD1 4Å
649A81.5Confident91.1Very high47 Ų4764.2 Ų64.239%0.38834%0.343SS..THydrogen-bonded Turntrans-71.2-27.6176.800000112.8A40 D647A40-A649 VanDerWaalsContact CB-O 3.3Å; A40-A649 WeakPolarHBondContact CB-O 3.5Å; D647-A649 PolarHBondContact O-N 3.41Å
650N84Confident91.2Very high134 Ų13464 Ų6472%0.71734%0.342SS*.THydrogen-bonded Turntrans-106.42.9178.3-66.7-47.3000113.1D647 L648D647-N650 CarbonylContact O-C 3.53Å; D647-N650 PolarHBondContact O-N 3.16Å; D647-N650 PolarHBondContact OD1-ND2 3.25Å; D647-N650 PolarHBondContact OD2-ND2 3.4Å; L648-N650 VanDerWaalsContact C-N 3.32Å
651E85Confident91.3Very high70 Ų7064.2 Ų64.233%0.32734%0.344SS..SBendtrans-80.9167.9176.5-78.8-75.3-165.700112.7D647 K655D647-E651 VanDerWaalsContact O-CG 3.25Å; D647-E651 WeakPolarHBondContact O-CG 3.22Å; D647-E651 PolarHBondContact O-N 2.88Å; E651-K655 HydrophobicContact CB-CD 4.37Å; E651-K655 HydrophobicContact CG-CD 4.12Å; E651-K655 IonicContact OE1-NZ 3.9Å; E651-K655 PolarHBondContact OE1-NZ 2.65Å; E651-K655 WeakPolarHBondContact OE2-CD 3.37Å; E651-K655 IonicContact OE2-NZ 3.66Å
652T86.8Confident91.3Very high82 Ų8259.9 Ų59.950%0.50333%0.325SS..  trans-65.7139.4174.268.20000110.6L654 K655 V656T652-L654 PolarHBondContact O-N 2.75Å; T652-L654 VanDerWaalsContact O-N 3.07Å; T652-K655 WeakPolarHBondContact O-CB 3.36Å; T652-K655 PolarHBondContact O-N 2.97Å; T652-K655 PolarHBondContact OG1-N 3.29Å; T652-V656 PolarHBondContact O-N 3.01Å
653P89.8Confident91.5Very high66 Ų6657.8 Ų57.843%0.42931%0.312SS..Hα-helixtrans-55-31.3176.6-28.936.4000113.5V39 V656 R657V39-P653 HydrophobicContact CB-CG 4.48Å; V39-P653 HydrophobicContact CG1-CB 3.46Å; V39-P653 VanDerWaalsContact CG1-CB 3.46Å; V39-P653 HydrophobicContact CG1-CG 3.33Å; P653-V656 PolarHBondContact O-N 3.41Å; P653-R657 WeakPolarHBondContact O-CB 3.33Å; P653-R657 PolarHBondContact O-N 3.17Å
654L91.2Very high91.7Very high139 Ų13956.3 Ų56.373%0.72831%0.305SS*.Hα-helixtrans-68.1-35.5176.8-73.6173.9000112.9T652 R657 K658T652-L654 PolarHBondContact O-N 2.75Å; T652-L654 VanDerWaalsContact O-N 3.07Å; L654-R657 PolarHBondContact O-N 2.9Å; L654-K658 WeakPolarHBondContact O-CB 3.49Å; L654-K658 PolarHBondContact O-N 3.13Å
655K91.8Very high91.9Very high65 Ų6552.8 Ų52.828%0.28329%0.29SS..Hα-helixtrans-64.9-46.7174.8-175.9178.4172.9-177.10110.6S646 E651 T652 R657 K658 I659S646-K655 PolarHBondContact OG-NZ 3.1Å; E651-K655 HydrophobicContact CB-CD 4.37Å; E651-K655 HydrophobicContact CG-CD 4.12Å; E651-K655 IonicContact OE1-NZ 3.9Å; E651-K655 PolarHBondContact OE1-NZ 2.65Å; E651-K655 WeakPolarHBondContact OE2-CD 3.37Å; E651-K655 IonicContact OE2-NZ 3.66Å; T652-K655 WeakPolarHBondContact O-CB 3.36Å; T652-K655 PolarHBondContact O-N 2.97Å; T652-K655 PolarHBondContact OG1-N 3.29Å; K655-R657 VanDerWaalsContact C-N 3.34Å; K655-R657 PolarHBondContact O-N 3.29Å; K655-K658 WeakPolarHBondContact O-CB 3.46Å; K655-K658 PolarHBondContact O-N 2.99Å; K655-I659 HydrophobicContact CG-CD1 4.47Å; K655-I659 WeakPolarHBondContact O-CG1 3.26Å; K655-I659 PolarHBondContact O-N 2.71Å; K655-I659 VanDerWaalsContact O-N 3.12Å
656V94Very high92Very high3 Ų348 Ų482%0.01826%0.257CS..Hα-helixtrans-60.4-45.4175.7179.80000110.8L587 L648 T652 P653 K658 I659 N660L587-V656 HydrophobicContact CD1-CG1 3.87Å; L587-V656 HydrophobicContact CG-CG1 3.93Å; L587-V656 WeakPolarHBondContact O-CG1 3.35Å; L648-V656 HydrophobicContact CB-CG2 4.31Å; L648-V656 HydrophobicContact CD2-CG2 4.28Å; T652-V656 PolarHBondContact O-N 3.01Å; P653-V656 PolarHBondContact O-N 3.41Å; V656-K658 PolarHBondContact O-N 3.35Å; V656-I659 PolarHBondContact O-N 2.9Å; V656-N660 PolarHBondContact O-N 2.71Å
657R95.5Very high92.3Very high50 Ų5047.1 Ų47.119%0.18925%0.25CS..Hα-helixtrans-60.6-42.6177.5179.957.8175.1-110.4-25.1112.4E361 D363 R364 P653 L654 K655 I659 N660 D661E361-R657 WeakPolarHBondContact OE2-CD 3.34Å; E361-R657 IonicContact OE2-CZ 3.76Å; E361-R657 IonicContact OE2-NE 3.43Å; E361-R657 IonicContact OE2-NH1 3.69Å; E361-R657 PolarHBondContact OE2-NH1 2.95Å; D363-R657 IonicContact OD1-CZ 2.7Å; D363-R657 IonicContact OD1-NH1 3.33Å; D363-R657 PolarHBondContact OD1-NH1 3.14Å; D363-R657 IonicContact OD1-NH2 3.62Å; D363-R657 PolarHBondContact OD1-NH2 2.8Å; D363-R657 IonicContact OD2-CZ 3.25Å; D363-R657 IonicContact OD2-NH1 3.67Å; D363-R657 IonicContact OD2-NH2 3.43Å; D363-R657 PolarHBondContact OD2-NH2 2.85Å; R364-R657 VanDerWaalsContact NH2-CZ 3.31Å; R364-R657 VanDerWaalsContact NH2-NE 3.19Å; P653-R657 WeakPolarHBondContact O-CB 3.33Å; P653-R657 PolarHBondContact O-N 3.17Å; L654-R657 PolarHBondContact O-N 2.9Å; K655-R657 VanDerWaalsContact C-N 3.34Å; K655-R657 PolarHBondContact O-N 3.29Å; R657-I659 VanDerWaalsContact C-N 3.35Å; R657-I659 PolarHBondContact O-N 3.13Å; R657-N660 PolarHBondContact O-N 2.79Å; R657-D661 IonicContact NE-OD1 3.01Å; R657-D661 PolarHBondContact NE-OD1 2.83Å; R657-D661 IonicContact NE-OD2 3.28Å; R657-D661 PolarHBondContact O-N 3.49Å
658K95Very high92.7Very high85 Ų8544 Ų4437%0.3723%0.232SC..Hα-helixtrans-58.2-46.7176.3-174.8178.1179.1176.20111.2L654 K655 V656 D661 Q662 V740L654-K658 WeakPolarHBondContact O-CB 3.49Å; L654-K658 PolarHBondContact O-N 3.13Å; K655-K658 WeakPolarHBondContact O-CB 3.46Å; K655-K658 PolarHBondContact O-N 2.99Å; V656-K658 PolarHBondContact O-N 3.35Å; K658-D661 PolarHBondContact O-N 2.87Å; K658-Q662 WeakPolarHBondContact O-CG 3.28Å; K658-Q662 PolarHBondContact O-N 2.61Å; K658-Q662 VanDerWaalsContact O-N 3.1Å; K658-V740 HydrophobicContact CG-CG2 4.47Å; K658-V740 PolarHBondContact NZ-O 3.38Å
659I95.8Very high93.2Very high6 Ų644 Ų443%0.03124%0.236CC..Hα-helixtrans-64.3-44.1176.6-62169.4000110.9L588 L639 I643 L648 K655 V656 R657 D661 Q662 L663L588-I659 HydrophobicContact CD1-CB 4.2Å; L588-I659 HydrophobicContact CD1-CG2 3.54Å; L639-I659 HydrophobicContact CD1-CG2 4.23Å; I643-I659 HydrophobicContact CD1-CG2 3.99Å; I643-I659 HydrophobicContact CG1-CG2 3.88Å; L648-I659 HydrophobicContact CD2-CD1 4Å; K655-I659 HydrophobicContact CG-CD1 4.47Å; K655-I659 WeakPolarHBondContact O-CG1 3.26Å; K655-I659 PolarHBondContact O-N 2.71Å; K655-I659 VanDerWaalsContact O-N 3.12Å; V656-I659 PolarHBondContact O-N 2.9Å; R657-I659 VanDerWaalsContact C-N 3.35Å; R657-I659 PolarHBondContact O-N 3.13Å; I659-D661 VanDerWaalsContact C-N 3.25Å; I659-D661 PolarHBondContact O-N 2.78Å; I659-Q662 WeakPolarHBondContact O-CB 3.35Å; I659-Q662 PolarHBondContact O-N 2.68Å; I659-Q662 VanDerWaalsContact O-N 3.15Å; I659-L663 HydrophobicContact CG2-CD1 4.15Å; I659-L663 HydrophobicContact CG2-CG 4.43Å; I659-L663 WeakPolarHBondContact O-CG 3.25Å; I659-L663 PolarHBondContact O-N 3.07Å
660N97.6Very high94Very high2 Ų241.8 Ų41.81%0.01122%0.217CC..Hα-helixtrans-58.8-37.7175.8-77.6-24.4000112.2R409 L587 L588 L589 V656 R657 L663 M664R409-N660 PolarHBondContact NH2-ND2 3.14Å; L587-N660 PolarHBondContact O-ND2 3.44Å; L588-N660 WeakPolarHBondContact CA-OD1 3.48Å; L589-N660 HydrophobicContact CD1-CB 4.18Å; L589-N660 WeakPolarHBondContact CD1-O 3.35Å; L589-N660 HydrophobicContact CG-CB 4.21Å; L589-N660 PolarHBondContact N-OD1 3.41Å; V656-N660 PolarHBondContact O-N 2.71Å; R657-N660 PolarHBondContact O-N 2.79Å; N660-L663 PolarHBondContact O-N 2.86Å; N660-M664 VanDerWaalsContact O-CB 3.23Å; N660-M664 WeakPolarHBondContact O-CB 3.07Å; N660-M664 PolarHBondContact O-N 3.24Å
661D97.6Very high94.7Very high40 Ų4037.5 Ų37.521%0.21419%0.194CC..Hα-helixtrans-68.5-38177.3-71.4-12.9000111.5R364 R657 K658 I659 M664 L665R364-D661 IonicContact CZ-OD1 2.7Å; R364-D661 VanDerWaalsContact CZ-OD1 3.28Å; R364-D661 IonicContact NE-OD1 2.68Å; R364-D661 PolarHBondContact NE-OD1 2.95Å; R364-D661 VanDerWaalsContact NH2-CG 3.27Å; R364-D661 IonicContact NH2-OD1 3.67Å; R364-D661 PolarHBondContact NH2-OD1 3.3Å; R364-D661 IonicContact NH2-OD2 2.7Å; R364-D661 PolarHBondContact NH2-OD2 2.95Å; R657-D661 IonicContact NE-OD1 3.01Å; R657-D661 PolarHBondContact NE-OD1 2.83Å; R657-D661 IonicContact NE-OD2 3.28Å; R657-D661 PolarHBondContact O-N 3.49Å; K658-D661 PolarHBondContact O-N 2.87Å; I659-D661 VanDerWaalsContact C-N 3.25Å; I659-D661 PolarHBondContact O-N 2.78Å; D661-M664 PolarHBondContact O-N 2.82Å; D661-L665 HydrophobicContact CB-CD1 4.45Å; D661-L665 VanDerWaalsContact O-CB 3.22Å; D661-L665 WeakPolarHBondContact O-CB 3.4Å; D661-L665 VanDerWaalsContact O-CG 3.26Å; D661-L665 WeakPolarHBondContact O-CG 3.38Å; D661-L665 PolarHBondContact O-N 2.87Å
662Q97.3Very high95.2Very high19 Ų1935.9 Ų35.99%0.08919%0.187CC..Hα-helixtrans-61.2-46.2171.9-63.6177.5-79.400111.7K658 I659 M666 M736 L737 N738K658-Q662 WeakPolarHBondContact O-CG 3.28Å; K658-Q662 PolarHBondContact O-N 2.61Å; K658-Q662 VanDerWaalsContact O-N 3.1Å; I659-Q662 WeakPolarHBondContact O-CB 3.35Å; I659-Q662 PolarHBondContact O-N 2.68Å; I659-Q662 VanDerWaalsContact O-N 3.15Å; Q662-M666 PolarHBondContact O-N 3.33Å; Q662-M736 WeakPolarHBondContact CG-O 3.18Å; Q662-M736 PolarHBondContact NE2-O 2.96Å; Q662-L737 PolarHBondContact NE2-O 3.12Å; Q662-N738 PolarHBondContact NE2-O 3.11Å
663L97.3Very high95.6Very high3 Ų336 Ų362%0.01619%0.189CC..Hα-helixtrans-63.8-43178.8-67.5172.4000112.1L588 L589 F591 L639 I659 N660L588-L663 HydrophobicContact CD1-CD1 3.92Å; L588-L663 HydrophobicContact CG-CD1 4.1Å; L589-L663 HydrophobicContact CB-CB 4.44Å; L589-L663 HydrophobicContact CB-CD1 4.09Å; L589-L663 HydrophobicContact CD1-CB 4.41Å; F591-L663 HydrophobicContact CB-CB 4.43Å; F591-L663 HydrophobicContact CB-CD2 4.4Å; F591-L663 HydrophobicContact CD2-CB 4.19Å; L639-L663 HydrophobicContact CD2-CD2 3.89Å; I659-L663 HydrophobicContact CG2-CD1 4.15Å; I659-L663 HydrophobicContact CG2-CG 4.43Å; I659-L663 WeakPolarHBondContact O-CG 3.25Å; I659-L663 PolarHBondContact O-N 3.07Å; N660-L663 PolarHBondContact O-N 2.86Å
664M97.6Very high95.8Very high1 Ų138.7 Ų38.71%0.00520%0.2CC..Hα-helixtrans-71.5-40.8-177.8175.9-17979.600113.1R364 E439 T441 V442 L589 N660 D661 R668R364-M664 VanDerWaalsContact CD-SD 3.57Å; E439-M664 WeakPolarHBondContact O-CE 3.41Å; T441-M664 WeakPolarHBondContact O-CG 3.18Å; V442-M664 HydrophobicContact CG2-SD 4.07Å; L589-M664 HydrophobicContact CD1-CB 3.92Å; N660-M664 VanDerWaalsContact O-CB 3.23Å; N660-M664 WeakPolarHBondContact O-CB 3.07Å; N660-M664 PolarHBondContact O-N 3.24Å; D661-M664 PolarHBondContact O-N 2.82Å; M664-R668 PolarHBondContact O-NH1 3.28Å; M664-R668 VanDerWaalsContact O-NH1 3.09Å
665L96.9Very high96Very high60 Ų6032.2 Ų32.231%0.31417%0.166SC..Hα-helixtrans-88.6-10.9-170.9-65173.3000113.3D661 D667 R668D661-L665 HydrophobicContact CB-CD1 4.45Å; D661-L665 VanDerWaalsContact O-CB 3.22Å; D661-L665 WeakPolarHBondContact O-CB 3.4Å; D661-L665 VanDerWaalsContact O-CG 3.26Å; D661-L665 WeakPolarHBondContact O-CG 3.38Å; D661-L665 PolarHBondContact O-N 2.87Å; L665-D667 PolarHBondContact O-N 2.71Å; L665-R668 HydrophobicContact CD2-CG 4.12Å; L665-R668 VanDerWaalsContact O-CB 3.23Å; L665-R668 WeakPolarHBondContact O-CB 3.38Å; L665-R668 PolarHBondContact O-N 3.43Å
666M95.7Very high96Very high0 Ų030.1 Ų30.10%016%0.157CC..G310 helixtrans-52.3-48.1-180178.1-150.370.100112.7C593 Y596 F632 Q662 R668 A669 F670 L737C593-M666 HydrophobicContact CB-SD 4.22Å; C593-M666 VanDerWaalsContact SG-SD 3.63Å; Y596-M666 HydrophobicContact CD2-CE 3.38Å; Y596-M666 HydrophobicContact CD2-SD 4.36Å; Y596-M666 HydrophobicContact CE2-CE 3.47Å; Y596-M666 VanDerWaalsContact CE2-CE 3.47Å; Y596-M666 HydrophobicContact CG-CE 4.13Å; F632-M666 HydrophobicContact CE2-CG 4.22Å; F632-M666 HydrophobicContact CE2-SD 4.16Å; F632-M666 HydrophobicContact CZ-CG 4.39Å; F632-M666 HydrophobicContact CZ-SD 3.72Å; Q662-M666 PolarHBondContact O-N 3.33Å; M666-R668 PolarHBondContact O-N 2.77Å; M666-A669 WeakPolarHBondContact O-CB 3.13Å; M666-A669 PolarHBondContact O-N 3Å; M666-A669 VanDerWaalsContact O-N 3.09Å; M666-F670 HydrophobicContact CE-CE2 4.43Å; M666-L737 HydrophobicContact CB-CD2 4.09Å; M666-L737 HydrophobicContact CG-CD2 3.98Å; M666-L737 HydrophobicContact CG-CG 4.43Å; M666-L737 HydrophobicContact SD-CD1 4.48Å; M666-L737 HydrophobicContact SD-CD2 4.34Å
667D94.3Very high95.7Very high0 Ų034.6 Ų34.60%019%0.186CC..G310 helixtrans-63.7-25.5180-86.1-57.9000113G525 T527 Y596 L665 A669 F670 H684G525-D667 CarbonylContact O-C 3.35Å; G525-D667 WeakPolarHBondContact O-CB 3.42Å; T527-D667 WeakPolarHBondContact CB-OD2 3.08Å; T527-D667 PolarHBondContact OG1-OD2 2.95Å; Y596-D667 WeakPolarHBondContact CE2-OD1 3.24Å; Y596-D667 VanDerWaalsContact CZ-OD1 3.25Å; Y596-D667 PolarHBondContact OH-OD1 3.32Å; L665-D667 PolarHBondContact O-N 2.71Å; D667-A669 PolarHBondContact O-N 2.83Å; D667-F670 PolarHBondContact O-N 3.07Å; D667-H684 IonicContact OD1-NE2 3.76Å
668R96.9Very high95.2Very high27 Ų2739.7 Ų39.710%0.10221%0.212CC..G310 helixtrans-65.9-27.3176.6-51.2-60.2-177-58.5-18.2112.3S438 T441 L524 G525 I526 M664 L665 M666 F670 L671S438-R668 PolarHBondContact O-NE 3.05Å; S438-R668 PolarHBondContact O-NH2 2.85Å; T441-R668 PolarHBondContact O-NH2 3.14Å; L524-R668 WeakPolarHBondContact O-CD 3.45Å; L524-R668 PolarHBondContact O-NE 2.92Å; G525-R668 VanDerWaalsContact O-CD 3.24Å; G525-R668 WeakPolarHBondContact O-CD 3.39Å; G525-R668 VanDerWaalsContact O-CZ 3.32Å; G525-R668 PolarHBondContact O-NE 2.77Å; G525-R668 PolarHBondContact O-NH1 3.12Å; I526-R668 VanDerWaalsContact CG1-NH2 3.33Å; M664-R668 PolarHBondContact O-NH1 3.28Å; M664-R668 VanDerWaalsContact O-NH1 3.09Å; L665-R668 HydrophobicContact CD2-CG 4.12Å; L665-R668 VanDerWaalsContact O-CB 3.23Å; L665-R668 WeakPolarHBondContact O-CB 3.38Å; L665-R668 PolarHBondContact O-N 3.43Å; M666-R668 PolarHBondContact O-N 2.77Å; R668-F670 PolarHBondContact O-N 2.89Å; R668-L671 WeakPolarHBondContact O-CG 3.38Å; R668-L671 PolarHBondContact O-N 3.37Å
669A96.4Very high94.8Very high26 Ų2638.4 Ų38.422%0.21521%0.207CC..G310 helixtrans-68.1-16.6179.100000112.8M666 D667 L671 A733 M736M666-A669 WeakPolarHBondContact O-CB 3.13Å; M666-A669 PolarHBondContact O-N 3Å; M666-A669 VanDerWaalsContact O-N 3.09Å; D667-A669 PolarHBondContact O-N 2.83Å; A669-L671 VanDerWaalsContact C-N 3.31Å; A669-A733 HydrophobicContact CB-CB 3.73Å; A669-M736 HydrophobicContact CB-CG 4.31Å
670F97.9Very high94.4Very high0 Ų039.1 Ų39.10%021%0.21CC..G310 helixtrans-863.1176.1-59.2-56.1000114.1Y596 L600 F632 M666 D667 R668 H684 V685 I686 A729 I730 A733Y596-F670 HydrophobicContact CD1-CE2 4.38Å; Y596-F670 HydrophobicContact CD1-CZ 4.42Å; Y596-F670 HydrophobicContact CE1-CD2 4.38Å; Y596-F670 AromaticContact CE1-CE2 3.57Å; Y596-F670 HydrophobicContact CE1-CE2 3.57Å; Y596-F670 AromaticContact CE1-CZ 3.85Å; Y596-F670 HydrophobicContact CE1-CZ 3.85Å; Y596-F670 HydrophobicContact CE2-CE2 4.2Å; Y596-F670 AromaticContact CZ-CD2 3.99Å; Y596-F670 AromaticContact CZ-CE2 3.42Å; Y596-F670 VanDerWaalsContact CZ-CE2 3.42Å; Y596-F670 VanDerWaalsContact OH-CD2 3.26Å; Y596-F670 WeakPolarHBondContact OH-CD2 3.3Å; Y596-F670 WeakPolarHBondContact OH-CE2 3.49Å; L600-F670 HydrophobicContact CD1-CZ 4.47Å; F632-F670 AromaticContact CE2-CZ 3.97Å; F632-F670 HydrophobicContact CE2-CZ 3.97Å; F632-F670 HydrophobicContact CZ-CZ 4.47Å; M666-F670 HydrophobicContact CE-CE2 4.43Å; D667-F670 PolarHBondContact O-N 3.07Å; R668-F670 PolarHBondContact O-N 2.89Å; F670-H684 WeakPolarHBondContact CB-CE1 3.04Å; F670-H684 AromaticContact CD2-CE1 3.79Å; F670-H684 AromaticContact CD2-NE2 3.92Å; F670-H684 AromaticContact CG-CE1 3.85Å; F670-V685 WeakPolarHBondContact O-CG2 3.11Å; F670-V685 PolarHBondContact O-N 2.95Å; F670-I686 HydrophobicContact CB-CG1 4.11Å; F670-I686 HydrophobicContact CD1-CD1 4.05Å; F670-I686 HydrophobicContact CD1-CG1 3.62Å; F670-I686 HydrophobicContact CD2-CG1 4.34Å; F670-I686 HydrophobicContact CE1-CD1 4.34Å; F670-I686 HydrophobicContact CE1-CG1 4.08Å; F670-I686 HydrophobicContact CG-CG1 3.77Å; F670-A729 HydrophobicContact CD1-CB 4.44Å; F670-I730 HydrophobicContact CE1-CG1 4.08Å; F670-A733 HydrophobicContact CD1-CB 4.15Å; F670-A733 HydrophobicContact CE1-CB 3.46Å; F670-A733 VanDerWaalsContact CE1-CB 3.46Å; F670-A733 HydrophobicContact CE2-CB 4.31Å; F670-A733 HydrophobicContact CZ-CB 3.55Å
671L97.6Very high93.9Very high43 Ų4339.1 Ų39.123%0.22521%0.21CC..BIsolated β-bridgetrans-85125.8177.5-58.7-177.7000111.5R668 A669 R683 H684R668-L671 WeakPolarHBondContact O-CG 3.38Å; R668-L671 PolarHBondContact O-N 3.37Å; A669-L671 VanDerWaalsContact C-N 3.31Å; L671-R683 CarbonylContact C-O 3.57Å; L671-R683 WeakPolarHBondContact CA-O 3.44Å; L671-R683 HydrophobicContact CB-CB 4.41Å; L671-R683 HydrophobicContact CD2-CB 4.14Å; L671-H684 HydrophobicContact CD2-CB 4.05Å
672N97.2Very high93.8Very high37 Ų3738.3 Ų38.320%0.19821%0.205CC..  trans-130.3108.9166.3-174.9-26.2000109.7L674 A675 R683 V685 V725N672-L674 PolarHBondContact O-N 3.26Å; N672-L674 VanDerWaalsContact O-N 3.11Å; N672-L674 WeakPolarHBondContact OD1-CB 3.41Å; N672-L674 PolarHBondContact OD1-N 3.2Å; N672-A675 HydrophobicContact CB-CB 4Å; N672-A675 WeakPolarHBondContact O-CB 3.32Å; N672-A675 PolarHBondContact O-N 3.07Å; N672-A675 PolarHBondContact OD1-N 3.5Å; N672-R683 PolarHBondContact N-O 3Å; N672-V685 HydrophobicContact CB-CG1 3.71Å; N672-V725 HydrophobicContact CB-CG1 4.31Å
673P93.8Very high93.7Very high83 Ų8339.5 Ų39.554%0.53921%0.208SC..THydrogen-bonded Turntrans-68.3-10-177.129.2-35.4000114.1R683P673-R683 HydrophobicContact CB-CG 4.49Å
674L94.8Very high93.7Very high124 Ų12439.4 Ų39.465%0.64921%0.207SC*.THydrogen-bonded Turntrans-104.6-2179.7-55.3179.1000112.6N672 Y721N672-L674 PolarHBondContact O-N 3.26Å; N672-L674 VanDerWaalsContact O-N 3.11Å; N672-L674 WeakPolarHBondContact OD1-CB 3.41Å; N672-L674 PolarHBondContact OD1-N 3.2Å; L674-Y721 PolarHBondContact O-OH 3.49Å
675A94.5Very high93.7Very high3 Ų339.4 Ų39.43%0.02521%0.208CC..SBendtrans-69.6-41.8-177.400000112.1N672 P677 V685 H722 V725N672-A675 HydrophobicContact CB-CB 4Å; N672-A675 WeakPolarHBondContact O-CB 3.32Å; N672-A675 PolarHBondContact O-N 3.07Å; N672-A675 PolarHBondContact OD1-N 3.5Å; A675-P677 WeakPolarHBondContact O-CD 3.25Å; A675-V685 HydrophobicContact CB-CG1 3.85Å; A675-H722 PolarHBondContact O-CE1 2.8Å; A675-H722 VanDerWaalsContact O-CE1 3.28Å; A675-V725 HydrophobicContact CB-CG1 4.23Å
676F93.4Very high93.7Very high20 Ų2036.6 Ų36.69%0.08819%0.193CC..  trans-126.869.3-173.7-48-70000110.9H678 E679 F682 V685 A688 P698F676-H678 PolarHBondContact O-N 2.94Å; F676-E679 HydrophobicContact CB-CB 4.03Å; F676-E679 HydrophobicContact CB-CG 4.35Å; F676-E679 PolarHBondContact O-N 3.45Å; F676-E679 VanDerWaalsContact O-N 3.09Å; F676-F682 HydrophobicContact CB-CB 4.46Å; F676-F682 HydrophobicContact CD2-CB 4.4Å; F676-V685 HydrophobicContact CE2-CG1 4.43Å; F676-A688 HydrophobicContact CD2-CB 3.99Å; F676-A688 HydrophobicContact CE1-CB 4.39Å; F676-A688 HydrophobicContact CE2-CB 3.47Å; F676-A688 VanDerWaalsContact CE2-CB 3.47Å; F676-A688 HydrophobicContact CZ-CB 3.7Å; F676-P698 HydrophobicContact CZ-CG 4.3Å
677P87.4Confident93.6Very high98 Ų9836.6 Ų36.664%0.63619%0.193SC*.THydrogen-bonded Turntrans-66-9.2-171.928.4-36.9000114.6A675A675-P677 WeakPolarHBondContact O-CD 3.25Å
678H84.3Confident93.6Very high157 Ų15736.8 Ų36.873%0.72719%0.194SC*.THydrogen-bonded Turntrans-106.9-1179.7-56.9-52.8000113.4F676F676-H678 PolarHBondContact O-N 2.94Å
679E86.8Confident93.1Very high57 Ų5737.9 Ų37.927%0.26621%0.206SC..SBendtrans-115.4111.5-178.4-64.8-175.7-166.700109.3F676 G681 F682F676-E679 HydrophobicContact CB-CB 4.03Å; F676-E679 HydrophobicContact CB-CG 4.35Å; F676-E679 PolarHBondContact O-N 3.45Å; F676-E679 VanDerWaalsContact O-N 3.09Å; E679-G681 PolarHBondContact O-N 3.28Å; E679-F682 HydrophobicContact CB-CB 3.75Å; E679-F682 HydrophobicContact CB-CD2 3.89Å; E679-F682 HydrophobicContact CB-CG 4.14Å; E679-F682 PolarHBondContact O-N 2.84Å
680Y87.4Confident92.6Very high22 Ų2238.3 Ų38.39%0.08621%0.207CC..THydrogen-bonded Turntrans-60132.2-178.6177.8-98.3000111.5D255 F256 P262 Y263 E431 F682D255-Y680 HydrophobicContact CB-CG 4.43Å; F256-Y680 HydrophobicContact CD2-CD1 4.11Å; F256-Y680 AromaticContact CD2-CE1 3.92Å; F256-Y680 HydrophobicContact CD2-CE1 3.92Å; F256-Y680 WeakPolarHBondContact CE1-O 3.33Å; F256-Y680 HydrophobicContact CE2-CD1 4.08Å; F256-Y680 AromaticContact CE2-CE1 3.85Å; F256-Y680 HydrophobicContact CE2-CE1 3.85Å; F256-Y680 HydrophobicContact CG-CD1 4.34Å; F256-Y680 HydrophobicContact CZ-CD1 4.3Å; F256-Y680 HydrophobicContact CZ-CE1 4.45Å; F256-Y680 WeakPolarHBondContact O-CD1 3.39Å; F256-Y680 WeakPolarHBondContact O-CE1 3.48Å; P262-Y680 HydrophobicContact CB-CD2 3.98Å; P262-Y680 HydrophobicContact CB-CE2 3.5Å; Y263-Y680 HydrophobicContact CD1-CD2 4.43Å; Y263-Y680 AromaticContact CD1-CE2 3.7Å; Y263-Y680 HydrophobicContact CD1-CE2 3.7Å; Y263-Y680 HydrophobicContact CD2-CE2 4.06Å; Y263-Y680 AromaticContact CE1-CD2 3.87Å; Y263-Y680 HydrophobicContact CE1-CD2 3.87Å; Y263-Y680 AromaticContact CE1-CE2 3.58Å; Y263-Y680 HydrophobicContact CE1-CE2 3.58Å; Y263-Y680 AromaticContact CE2-CD2 3.98Å; Y263-Y680 HydrophobicContact CE2-CD2 3.98Å; Y263-Y680 AromaticContact CE2-CE2 3.93Å; Y263-Y680 HydrophobicContact CE2-CE2 3.93Å; Y263-Y680 AromaticContact CG-CE2 3.97Å; Y263-Y680 HydrophobicContact CG-CE2 3.97Å; Y263-Y680 AromaticContact CZ-CD2 3.62Å; Y263-Y680 AromaticContact CZ-CE2 3.7Å; Y263-Y680 PolarHBondContact N-OH 2.8Å; E431-Y680 PolarHBondContact OE1-OH 2.91Å; Y680-F682 WeakPolarHBondContact O-CD2 3.4Å; Y680-F682 PolarHBondContact O-N 2.67Å
681G87.6Confident92Very high1 Ų143.4 Ų43.41%0.0124%0.243CC..THydrogen-bonded Turntrans67.8-13.517900000116.1H522 Y523 E679 R683H522-G681 CarbonylContact C-O 3.53Å; Y523-G681 VanDerWaalsContact CA-O 3.27Å; Y523-G681 WeakPolarHBondContact CA-O 3.32Å; Y523-G681 PolarHBondContact N-O 2.91Å; E679-G681 PolarHBondContact O-N 3.28Å; G681-R683 PolarHBondContact O-N 3.11Å
682F94Very high91.3Very high24 Ų2442.8 Ų42.811%0.10524%0.242CC..  trans-78.6110.5-179-74.1-90.3000112.3F256 A513 H522 F676 E679 Y680 A688F256-F682 HydrophobicContact CD1-CE2 4.23Å; F256-F682 HydrophobicContact CE1-CD2 4.2Å; F256-F682 AromaticContact CE1-CE2 3.81Å; F256-F682 HydrophobicContact CE1-CE2 3.81Å; F256-F682 HydrophobicContact CE1-CZ 4.37Å; A513-F682 HydrophobicContact CB-CZ 4.04Å; H522-F682 HydrophobicContact CB-CD1 3.86Å; H522-F682 HydrophobicContact CB-CE1 4.22Å; H522-F682 HydrophobicContact CB-CG 4.32Å; H522-F682 AromaticContact CD2-CD1 3.89Å; H522-F682 AromaticContact CD2-CE1 3.37Å; H522-F682 WeakPolarHBondContact CD2-CE1 3.24Å; H522-F682 AromaticContact CD2-CZ 3.95Å; H522-F682 AromaticContact CE1-CE1 3.82Å; H522-F682 AromaticContact CG-CD1 3.54Å; H522-F682 AromaticContact CG-CE1 3.53Å; H522-F682 AromaticContact ND1-CD1 3.75Å; H522-F682 AromaticContact ND1-CE1 3.81Å; H522-F682 AromaticContact NE2-CE1 3.56Å; F676-F682 HydrophobicContact CB-CB 4.46Å; F676-F682 HydrophobicContact CD2-CB 4.4Å; E679-F682 HydrophobicContact CB-CB 3.75Å; E679-F682 HydrophobicContact CB-CD2 3.89Å; E679-F682 HydrophobicContact CB-CG 4.14Å; E679-F682 PolarHBondContact O-N 2.84Å; Y680-F682 WeakPolarHBondContact O-CD2 3.4Å; Y680-F682 PolarHBondContact O-N 2.67Å; F682-A688 HydrophobicContact CD1-CB 4.02Å
683R95.8Very high90.7Very high44 Ų4444.2 Ų44.217%0.16627%0.266CS..  trans-129.5-14.2179-51.2177.7171.6171.4-7.5112.8H522 Y523 L671 N672 P673 G681 V685H522-R683 WeakPolarHBondContact O-CB 3.22Å; H522-R683 PolarHBondContact O-N 2.94Å; Y523-R683 VanDerWaalsContact CD2-CZ 3.45Å; L671-R683 CarbonylContact C-O 3.57Å; L671-R683 WeakPolarHBondContact CA-O 3.44Å; L671-R683 HydrophobicContact CB-CB 4.41Å; L671-R683 HydrophobicContact CD2-CB 4.14Å; N672-R683 PolarHBondContact N-O 3Å; P673-R683 HydrophobicContact CB-CG 4.49Å; G681-R683 PolarHBondContact O-N 3.11Å; R683-V685 PolarHBondContact O-N 3.44Å
684H97.3Very high90.5Very high0 Ų045.1 Ų45.10%026%0.261CS..BIsolated β-bridgetrans-78.9106.4-174.5-162.5-57.3000111.8D667 F670 L671 I686 W687 A688D667-H684 IonicContact OD1-NE2 3.76Å; F670-H684 WeakPolarHBondContact CB-CE1 3.04Å; F670-H684 AromaticContact CD2-CE1 3.79Å; F670-H684 AromaticContact CD2-NE2 3.92Å; F670-H684 AromaticContact CG-CE1 3.85Å; L671-H684 HydrophobicContact CD2-CB 4.05Å; H684-I686 PolarHBondContact ND1-N 2.96Å; H684-I686 PolarHBondContact O-N 2.98Å; H684-I686 VanDerWaalsContact O-N 3.16Å; H684-W687 AromaticContact CE1-CD1 3.02Å; H684-W687 AromaticContact CE1-CG 3.82Å; H684-W687 AromaticContact CE1-NE1 3.46Å; H684-W687 PolarHBondContact CE1-NE1 2.77Å; H684-W687 AromaticContact ND1-CD1 3.44Å; H684-W687 AromaticContact ND1-CG 3.84Å; H684-W687 PolarHBondContact ND1-N 3.08Å; H684-W687 AromaticContact NE2-CD1 3.4Å; H684-W687 AromaticContact NE2-NE1 3.9Å; H684-W687 PolarHBondContact O-N 3.47Å; H684-A688 WeakPolarHBondContact O-CB 3.47Å; H684-A688 PolarHBondContact O-N 2.7Å
685V97.7Very high90.4Very high2 Ų243.3 Ų43.31%0.01226%0.257CS..THydrogen-bonded Turntrans-72.7-13.5-168.4-54.60000114.9F670 N672 A675 F676 R683 V725 V726 A729F670-V685 WeakPolarHBondContact O-CG2 3.11Å; F670-V685 PolarHBondContact O-N 2.95Å; N672-V685 HydrophobicContact CB-CG1 3.71Å; A675-V685 HydrophobicContact CB-CG1 3.85Å; F676-V685 HydrophobicContact CE2-CG1 4.43Å; R683-V685 PolarHBondContact O-N 3.44Å; V685-V725 HydrophobicContact CB-CG1 4.34Å; V685-V725 HydrophobicContact CG1-CG1 3.69Å; V685-V726 HydrophobicContact CB-CG2 4.41Å; V685-V726 HydrophobicContact CG2-CG2 4.49Å; V685-A729 HydrophobicContact CG2-CB 3.54Å
686I97.5Very high90.5Very high0 Ų043.3 Ų43.30%026%0.257CS..THydrogen-bonded Turntrans-92.6-36.4176-45-59.2000112.7L600 Y603 F670 H684 F697 P698 V726 I730L600-I686 HydrophobicContact CD2-CD1 3.94Å; L600-I686 HydrophobicContact CD2-CG1 4.31Å; L600-I686 HydrophobicContact CD2-CG2 3.94Å; Y603-I686 HydrophobicContact CD2-CG2 4.45Å; F670-I686 HydrophobicContact CB-CG1 4.11Å; F670-I686 HydrophobicContact CD1-CD1 4.05Å; F670-I686 HydrophobicContact CD1-CG1 3.62Å; F670-I686 HydrophobicContact CD2-CG1 4.34Å; F670-I686 HydrophobicContact CE1-CD1 4.34Å; F670-I686 HydrophobicContact CE1-CG1 4.08Å; F670-I686 HydrophobicContact CG-CG1 3.77Å; H684-I686 PolarHBondContact ND1-N 2.96Å; H684-I686 PolarHBondContact O-N 2.98Å; H684-I686 VanDerWaalsContact O-N 3.16Å; I686-F697 HydrophobicContact CD1-CD1 3.94Å; I686-F697 HydrophobicContact CD1-CE1 3.89Å; I686-P698 WeakPolarHBondContact O-CD 3.47Å; I686-V726 HydrophobicContact CD1-CG1 4.19Å; I686-I730 HydrophobicContact CD1-CD1 4.12Å; I686-I730 HydrophobicContact CD1-CG1 3.99Å
687W94.3Very high90.7Very high1 Ų142.4 Ų42.40%0.00425%0.253CS..THydrogen-bonded Turntrans-122.28-166.9-49.1129.5000113.5P463 Y509 N511 H522 Y596 Y603 H684P463-W687 HydrophobicContact CG-CH2 4Å; P463-W687 HydrophobicContact CG-CZ2 3.64Å; Y509-W687 HydrophobicContact CD1-CE3 4.27Å; Y509-W687 AromaticContact CD1-CH2 3.77Å; Y509-W687 HydrophobicContact CD1-CH2 3.77Å; Y509-W687 HydrophobicContact CD1-CZ2 4.42Å; Y509-W687 AromaticContact CD1-CZ3 3.67Å; Y509-W687 HydrophobicContact CD1-CZ3 3.67Å; Y509-W687 AromaticContact CD2-CZ3 3.93Å; Y509-W687 HydrophobicContact CD2-CZ3 3.93Å; Y509-W687 AromaticContact CE1-CH2 3.78Å; Y509-W687 HydrophobicContact CE1-CH2 3.78Å; Y509-W687 HydrophobicContact CE1-CZ3 4Å; Y509-W687 HydrophobicContact CE2-CZ3 4.24Å; Y509-W687 HydrophobicContact CG-CE3 4.04Å; Y509-W687 HydrophobicContact CG-CH2 4.22Å; Y509-W687 AromaticContact CG-CZ3 3.62Å; Y509-W687 HydrophobicContact CG-CZ3 3.62Å; N511-W687 VanDerWaalsContact CA-O 3.22Å; N511-W687 WeakPolarHBondContact CA-O 2.95Å; H522-W687 PolarHBondContact CE1-O 3.13Å; Y596-W687 AromaticContact CE1-CZ2 3.7Å; Y596-W687 HydrophobicContact CE1-CZ2 3.7Å; Y596-W687 AromaticContact CZ-CE2 3.99Å; Y596-W687 AromaticContact CZ-CZ2 3.79Å; Y596-W687 AromaticContact CZ-NE1 3.56Å; Y596-W687 PolarHBondContact OH-NE1 3.47Å; Y603-W687 HydrophobicContact CD2-CZ3 4.45Å; Y603-W687 HydrophobicContact CE1-CZ3 4.24Å; Y603-W687 HydrophobicContact CE2-CE3 4.12Å; Y603-W687 AromaticContact CE2-CZ3 3.68Å; Y603-W687 HydrophobicContact CE2-CZ3 3.68Å; Y603-W687 AromaticContact CZ-CZ3 3.56Å; H684-W687 AromaticContact CE1-CD1 3.02Å; H684-W687 AromaticContact CE1-CG 3.82Å; H684-W687 AromaticContact CE1-NE1 3.46Å; H684-W687 PolarHBondContact CE1-NE1 2.77Å; H684-W687 AromaticContact ND1-CD1 3.44Å; H684-W687 AromaticContact ND1-CG 3.84Å; H684-W687 PolarHBondContact ND1-N 3.08Å; H684-W687 AromaticContact NE2-CD1 3.4Å; H684-W687 AromaticContact NE2-NE1 3.9Å; H684-W687 PolarHBondContact O-N 3.47Å
688A92.6Very high91.1Very high3 Ų337.9 Ų37.93%0.02522%0.223CC..SBendtrans-57.5161.1168.600000111.1F676 F682 H684 P698F676-A688 HydrophobicContact CD2-CB 3.99Å; F676-A688 HydrophobicContact CE1-CB 4.39Å; F676-A688 HydrophobicContact CE2-CB 3.47Å; F676-A688 VanDerWaalsContact CE2-CB 3.47Å; F676-A688 HydrophobicContact CZ-CB 3.7Å; F682-A688 HydrophobicContact CD1-CB 4.02Å; H684-A688 WeakPolarHBondContact O-CB 3.47Å; H684-A688 PolarHBondContact O-N 2.7Å; A688-P698 HydrophobicContact CB-CB 4.43Å; A688-P698 HydrophobicContact CB-CG 3.91Å; A688-P698 WeakPolarHBondContact O-CB 3.32Å; A688-P698 WeakPolarHBondContact O-CG 3.33Å
689S86.7Confident91.7Very high51 Ų5130.6 Ų30.636%0.35719%0.191SC..  trans-67154.5176.4-146.30000111.1N511 P698N511-S689 WeakPolarHBondContact O-CA 3.4Å; N511-S689 WeakPolarHBondContact O-CB 3.28Å; N511-S689 PolarHBondContact O-OG 3.32Å; S689-P698 WeakPolarHBondContact O-CB 3.47Å
690S87.3Confident92.2Very high34 Ų3427.9 Ų27.924%0.23818%0.178CC..  trans-129.5126.9176.6167.40000109.6S692 D702S690-S692 PolarHBondContact OG-N 2.89Å; S690-S692 PolarHBondContact OG-OG 2.82Å; S690-D702 WeakPolarHBondContact CA-OD1 3.25Å; S690-D702 WeakPolarHBondContact CB-OD1 3.46Å; S690-D702 PolarHBondContact OG-OD1 3.47Å
691S84.4Confident92.6Very high108 Ų10826.9 Ų26.976%0.75517%0.174SC*.THydrogen-bonded Turntrans-76.6-22.6173.6620000112.7G693 D702S691-G693 VanDerWaalsContact C-N 3.27Å; S691-G693 PolarHBondContact O-N 2.93Å; S691-D702 WeakPolarHBondContact CB-OD2 3.47Å; S691-D702 PolarHBondContact N-OD1 3.15Å; S691-D702 PolarHBondContact N-OD2 3.4Å; S691-D702 PolarHBondContact OG-OD1 3.02Å; S691-D702 PolarHBondContact OG-OD2 2.74Å
692S83.8Confident93Very high29 Ų2928.2 Ų28.220%0.20318%0.181CC..THydrogen-bonded Turntrans-74.9-15.1-179.791.70000113.8S690 K694 A701 D702S690-S692 PolarHBondContact OG-N 2.89Å; S690-S692 PolarHBondContact OG-OG 2.82Å; S692-K694 PolarHBondContact O-N 2.97Å; S692-K694 WeakPolarHBondContact OG-CG 3.3Å; S692-K694 PolarHBondContact OG-N 3.11Å; S692-A701 VanDerWaalsContact OG-CB 3.24Å; S692-A701 WeakPolarHBondContact OG-CB 3.39Å; S692-D702 WeakPolarHBondContact CB-OD1 3.29Å; S692-D702 PolarHBondContact N-OD1 3.42Å
693G82.7Confident93.1Very high67 Ų6727.4 Ų27.469%0.69118%0.179SC*.  trans63.723.2-178.700000114.5S691S691-G693 VanDerWaalsContact C-N 3.27Å; S691-G693 PolarHBondContact O-N 2.93Å
694K91.1Very high93.1Very high103 Ų10326.1 Ų26.145%0.44817%0.174SC..  trans-98.1134.2178.2-59.2-59.4179.4-175.60109.7L610 Y611 S692 T696 A701L610-K694 HydrophobicContact CD1-CB 4.32Å; L610-K694 HydrophobicContact CD1-CD 4.18Å; L610-K694 HydrophobicContact CD1-CG 4.31Å; Y611-K694 WeakPolarHBondContact OH-CG 3.28Å; S692-K694 PolarHBondContact O-N 2.97Å; S692-K694 WeakPolarHBondContact OG-CG 3.3Å; S692-K694 PolarHBondContact OG-N 3.11Å; K694-T696 HydrophobicContact CB-CG2 4.2Å; K694-T696 PolarHBondContact O-N 3.44Å; K694-A701 HydrophobicContact CB-CB 4.27Å
695P92.4Very high93Very high85 Ų8528 Ų2855%0.55219%0.191SC*.SBendtrans-80.965.5-175.633.9-35.4000111.3T606T606-P695 HydrophobicContact CG2-CG 4.24Å
696T96.4Very high92.7Very high4 Ų432.1 Ų32.13%0.02521%0.21CC..SBendtrans-149.3-169.6179.5-170.50000109.9Y603 T606 A607 Y611 K694 A701Y603-T696 VanDerWaalsContact CD2-C 3.46Å; Y603-T696 PolarHBondContact O-OG1 2.84Å; T606-T696 HydrophobicContact CG2-CG2 4.49Å; A607-T696 WeakPolarHBondContact CB-OG1 3.26Å; Y611-T696 HydrophobicContact CE2-CG2 3.77Å; K694-T696 HydrophobicContact CB-CG2 4.2Å; K694-T696 PolarHBondContact O-N 3.44Å; T696-A701 HydrophobicContact CG2-CB 3.86Å
697F97.6Very high92.6Very high0 Ų032.2 Ų32.20%021%0.21CC..  trans-59.5117.7-177.2-52.8-73.5000111.3L600 Y603 L604 A607 L625 I686 G699 I700 A701 V726 I730L600-F697 HydrophobicContact CD2-CE1 4.08Å; Y603-F697 HydrophobicContact CD2-CD1 4.08Å; Y603-F697 HydrophobicContact CD2-CE1 4.25Å; L604-F697 HydrophobicContact CB-CE2 4.39Å; A607-F697 HydrophobicContact CB-CD2 4.31Å; L625-F697 HydrophobicContact CD1-CE2 4.37Å; L625-F697 HydrophobicContact CD1-CZ 4.44Å; L625-F697 HydrophobicContact CD2-CD2 4.12Å; L625-F697 HydrophobicContact CD2-CE2 3.9Å; L625-F697 HydrophobicContact CG-CE2 4.49Å; I686-F697 HydrophobicContact CD1-CD1 3.94Å; I686-F697 HydrophobicContact CD1-CE1 3.89Å; F697-G699 PolarHBondContact O-N 3.19Å; F697-I700 HydrophobicContact CB-CB 4.37Å; F697-I700 HydrophobicContact CB-CD1 3.94Å; F697-I700 HydrophobicContact CB-CG1 4.16Å; F697-I700 HydrophobicContact CD2-CD1 4.02Å; F697-I700 HydrophobicContact CG-CD1 4.29Å; F697-I700 PolarHBondContact O-N 3.1Å; F697-I700 VanDerWaalsContact O-N 3.12Å; F697-A701 PolarHBondContact O-N 3.06Å; F697-V726 HydrophobicContact CB-CG1 4.37Å; F697-V726 HydrophobicContact CB-CG2 4.15Å; F697-V726 HydrophobicContact CD1-CG1 3.52Å; F697-V726 HydrophobicContact CD2-CG1 4.29Å; F697-V726 HydrophobicContact CE1-CG1 3.78Å; F697-V726 HydrophobicContact CE2-CG1 4.49Å; F697-V726 HydrophobicContact CG-CG1 3.8Å; F697-V726 HydrophobicContact CG-CG2 4.46Å; F697-V726 HydrophobicContact CZ-CG1 4.26Å; F697-I730 HydrophobicContact CE1-CD1 3.92Å; F697-I730 HydrophobicContact CZ-CD1 4.08Å
698P95.6Very high92.4Very high3 Ų336.5 Ų36.52%0.01923%0.233CC..Hα-helixtrans-60.1-45.9-165.520.2-33.4000113F676 I686 A688 S689 I700 A701 D702F676-P698 HydrophobicContact CZ-CG 4.3Å; I686-P698 WeakPolarHBondContact O-CD 3.47Å; A688-P698 HydrophobicContact CB-CB 4.43Å; A688-P698 HydrophobicContact CB-CG 3.91Å; A688-P698 WeakPolarHBondContact O-CB 3.32Å; A688-P698 WeakPolarHBondContact O-CG 3.33Å; S689-P698 WeakPolarHBondContact O-CB 3.47Å; P698-I700 VanDerWaalsContact C-N 3.31Å; P698-I700 PolarHBondContact O-N 2.91Å; P698-A701 PolarHBondContact O-N 3.07Å; P698-D702 WeakPolarHBondContact O-CB 3.41Å; P698-D702 PolarHBondContact O-N 2.91Å
699G96.4Very high92.3Very high4 Ų440.3 Ų40.34%0.04126%0.26CS..Hα-helixtrans-63-34.8179.400000113.9F697 A703 H722F697-G699 PolarHBondContact O-N 3.19Å; G699-A703 WeakPolarHBondContact O-CB 3.37Å; G699-A703 PolarHBondContact O-N 3.38Å; G699-A703 VanDerWaalsContact O-N 3.17Å; G699-H722 VanDerWaalsContact C-CG 3.44Å; G699-H722 WeakPolarHBondContact CA-ND1 3.34Å; G699-H722 PolarHBondContact O-CD2 2.87Å; G699-H722 VanDerWaalsContact O-CD2 3.25Å; G699-H722 VanDerWaalsContact O-CG 3.29Å
700I97.8Very high92.4Very high0 Ų039.8 Ų39.80%026%0.256CS..Hα-helixtrans-70.5-46.5175.9-59.5177.3000109.5Y611 L625 F697 P698 F704 V719 H722 V723 V726Y611-I700 HydrophobicContact CD2-CG2 4.01Å; Y611-I700 HydrophobicContact CE2-CG2 4.27Å; L625-I700 HydrophobicContact CD2-CD1 3.82Å; F697-I700 HydrophobicContact CB-CB 4.37Å; F697-I700 HydrophobicContact CB-CD1 3.94Å; F697-I700 HydrophobicContact CB-CG1 4.16Å; F697-I700 HydrophobicContact CD2-CD1 4.02Å; F697-I700 HydrophobicContact CG-CD1 4.29Å; F697-I700 PolarHBondContact O-N 3.1Å; F697-I700 VanDerWaalsContact O-N 3.12Å; P698-I700 VanDerWaalsContact C-N 3.31Å; P698-I700 PolarHBondContact O-N 2.91Å; I700-F704 WeakPolarHBondContact O-CB 3.39Å; I700-F704 PolarHBondContact O-N 2.93Å; I700-V719 HydrophobicContact CG2-CG1 4.41Å; I700-H722 HydrophobicContact CG1-CB 3.97Å; I700-V723 HydrophobicContact CD1-CG2 3.97Å; I700-V723 HydrophobicContact CG1-CG2 4.2Å; I700-V723 HydrophobicContact CG2-CG2 4.34Å; I700-V726 HydrophobicContact CD1-CB 4.39Å; I700-V726 HydrophobicContact CD1-CG2 4.24Å; I700-V726 HydrophobicContact CG1-CG2 4.35Å
701A96.8Very high92.2Very high1 Ų145.9 Ų45.91%0.00828%0.28CS..Hα-helixtrans-63.6-45.1-175.800000112.3S692 K694 T696 F697 P698 A705S692-A701 VanDerWaalsContact OG-CB 3.24Å; S692-A701 WeakPolarHBondContact OG-CB 3.39Å; K694-A701 HydrophobicContact CB-CB 4.27Å; T696-A701 HydrophobicContact CG2-CB 3.86Å; F697-A701 PolarHBondContact O-N 3.06Å; P698-A701 PolarHBondContact O-N 3.07Å; A701-A705 WeakPolarHBondContact O-CB 3.39Å; A701-A705 PolarHBondContact O-N 2.57Å
702D94.9Very high92.4Very high30 Ų3045.2 Ų45.216%0.1627%0.268CS..Hα-helixtrans-71-44.3-179.8-75.819.4000111.5S690 S691 S692 P698 F704 A705 Q706S690-D702 WeakPolarHBondContact CA-OD1 3.25Å; S690-D702 WeakPolarHBondContact CB-OD1 3.46Å; S690-D702 PolarHBondContact OG-OD1 3.47Å; S691-D702 WeakPolarHBondContact CB-OD2 3.47Å; S691-D702 PolarHBondContact N-OD1 3.15Å; S691-D702 PolarHBondContact N-OD2 3.4Å; S691-D702 PolarHBondContact OG-OD1 3.02Å; S691-D702 PolarHBondContact OG-OD2 2.74Å; S692-D702 WeakPolarHBondContact CB-OD1 3.29Å; S692-D702 PolarHBondContact N-OD1 3.42Å; P698-D702 WeakPolarHBondContact O-CB 3.41Å; P698-D702 PolarHBondContact O-N 2.91Å; D702-F704 VanDerWaalsContact C-N 3.31Å; D702-F704 PolarHBondContact O-N 2.94Å; D702-A705 PolarHBondContact O-N 3.42Å; D702-Q706 PolarHBondContact O-N 2.82Å
703A95.8Very high92.5Very high6 Ų649.3 Ų49.35%0.0529%0.288CS..Hα-helixtrans-62.9-38.7175.600000111.9G699 Q706 A707 K718 V719G699-A703 WeakPolarHBondContact O-CB 3.37Å; G699-A703 PolarHBondContact O-N 3.38Å; G699-A703 VanDerWaalsContact O-N 3.17Å; A703-Q706 PolarHBondContact O-N 3.33Å; A703-A707 WeakPolarHBondContact O-CB 2.96Å; A703-A707 PolarHBondContact O-N 3.2Å; A703-K718 HydrophobicContact CB-CB 4.24Å; A703-V719 HydrophobicContact CB-CB 4.44Å; A703-V719 HydrophobicContact CB-CG2 3.95Å; A703-V719 WeakPolarHBondContact O-CG2 3.31Å
704F96.6Very high92.8Very high17 Ų1750.3 Ų50.38%0.07528%0.284CS..Hα-helixtrans-65.4-45.4176.6-174-79.2000111.1Y611 D614 L615 I700 D702 Q706 A707 N708 W716 V719Y611-F704 HydrophobicContact CD1-CB 4.29Å; Y611-F704 AromaticContact CD1-CD1 3.61Å; Y611-F704 HydrophobicContact CD1-CD1 3.61Å; Y611-F704 AromaticContact CD1-CD2 3.55Å; Y611-F704 HydrophobicContact CD1-CD2 3.55Å; Y611-F704 AromaticContact CD1-CE1 3.73Å; Y611-F704 HydrophobicContact CD1-CE1 3.73Å; Y611-F704 AromaticContact CD1-CE2 3.66Å; Y611-F704 HydrophobicContact CD1-CE2 3.66Å; Y611-F704 AromaticContact CD1-CG 3.53Å; Y611-F704 HydrophobicContact CD1-CG 3.53Å; Y611-F704 AromaticContact CD1-CZ 3.75Å; Y611-F704 HydrophobicContact CD1-CZ 3.75Å; Y611-F704 HydrophobicContact CE1-CB 4.23Å; Y611-F704 AromaticContact CE1-CD1 3.61Å; Y611-F704 HydrophobicContact CE1-CD1 3.61Å; Y611-F704 HydrophobicContact CE1-CD2 4.27Å; Y611-F704 HydrophobicContact CE1-CE1 4.01Å; Y611-F704 AromaticContact CE1-CG 3.77Å; Y611-F704 HydrophobicContact CE1-CG 3.77Å; Y611-F704 HydrophobicContact CE1-CZ 4.49Å; Y611-F704 AromaticContact CG-CD2 3.89Å; Y611-F704 HydrophobicContact CG-CD2 3.89Å; Y611-F704 HydrophobicContact CG-CE2 4.11Å; Y611-F704 HydrophobicContact CG-CG 4.18Å; D614-F704 HydrophobicContact CB-CE2 3.91Å; D614-F704 HydrophobicContact CB-CZ 3.89Å; L615-F704 HydrophobicContact CD2-CD2 4.29Å; L615-F704 HydrophobicContact CD2-CE2 4.49Å; I700-F704 WeakPolarHBondContact O-CB 3.39Å; I700-F704 PolarHBondContact O-N 2.93Å; D702-F704 VanDerWaalsContact C-N 3.31Å; D702-F704 PolarHBondContact O-N 2.94Å; F704-Q706 VanDerWaalsContact C-N 3.3Å; F704-Q706 PolarHBondContact O-N 3.44Å; F704-A707 PolarHBondContact O-N 2.8Å; F704-N708 HydrophobicContact CD1-CB 4.49Å; F704-N708 HydrophobicContact CE1-CB 4.31Å; F704-N708 VanDerWaalsContact O-CB 3.3Å; F704-N708 WeakPolarHBondContact O-CB 3.48Å; F704-N708 PolarHBondContact O-N 3.16Å; F704-W716 HydrophobicContact CD2-CH2 4.13Å; F704-W716 AromaticContact CD2-CZ3 3.75Å; F704-W716 HydrophobicContact CD2-CZ3 3.75Å; F704-W716 AromaticContact CE2-CH2 3.69Å; F704-W716 HydrophobicContact CE2-CH2 3.69Å; F704-W716 AromaticContact CE2-CZ3 3.61Å; F704-W716 HydrophobicContact CE2-CZ3 3.61Å; F704-W716 HydrophobicContact CZ-CH2 4.06Å; F704-W716 HydrophobicContact CZ-CZ3 4.43Å; F704-V719 HydrophobicContact CB-CG1 4.42Å
705A94.2Very high92.9Very high41 Ų4146.4 Ų46.434%0.33927%0.268SS..Hα-helixtrans-59.4-42.4176.400000111.5A701 D702 S709A701-A705 WeakPolarHBondContact O-CB 3.39Å; A701-A705 PolarHBondContact O-N 2.57Å; D702-A705 PolarHBondContact O-N 3.42Å; A705-S709 WeakPolarHBondContact O-CB 3.17Å; A705-S709 PolarHBondContact O-N 2.83Å; A705-S709 VanDerWaalsContact O-N 3.13Å; A705-S709 PolarHBondContact O-OG 3.44Å
706Q92.6Very high93.1Very high88 Ų8843.6 Ų43.641%0.41125%0.246SC..Hα-helixtrans-61.1-52.6173.9-177.8171.335.100111.8D702 A703 F704 N708 S709 S710D702-Q706 PolarHBondContact O-N 2.82Å; A703-Q706 PolarHBondContact O-N 3.33Å; F704-Q706 VanDerWaalsContact C-N 3.3Å; F704-Q706 PolarHBondContact O-N 3.44Å; Q706-N708 VanDerWaalsContact C-N 3.3Å; Q706-N708 PolarHBondContact O-N 2.84Å; Q706-S709 PolarHBondContact O-N 2.95Å; Q706-S709 PolarHBondContact O-OG 3.15Å; Q706-S710 WeakPolarHBondContact O-CB 3.04Å; Q706-S710 PolarHBondContact O-N 2.93Å; Q706-S710 PolarHBondContact O-OG 2.91Å
707A94.2Very high93.1Very high1 Ų145.5 Ų45.51%0.00827%0.267CS..Hα-helixtrans-62.2-36.8-17800000112.9A703 F704 H711 D715 W716 V719A703-A707 WeakPolarHBondContact O-CB 2.96Å; A703-A707 PolarHBondContact O-N 3.2Å; F704-A707 PolarHBondContact O-N 2.8Å; A707-H711 PolarHBondContact O-N 2.97Å; A707-D715 HydrophobicContact CB-CB 3.86Å; A707-W716 HydrophobicContact CB-CD2 3.94Å; A707-W716 HydrophobicContact CB-CE3 4.32Å; A707-W716 HydrophobicContact CB-CG 4.22Å; A707-W716 HydrophobicContact CB-CZ2 4.34Å; A707-V719 HydrophobicContact CB-CG2 3.97Å
708N91.8Very high93Very high91 Ų9150 Ų5049%0.48729%0.286SS..Hα-helixtrans-71.1-33.3178.8-168.542.1000112.6F704 Q706 H711F704-N708 HydrophobicContact CD1-CB 4.49Å; F704-N708 HydrophobicContact CE1-CB 4.31Å; F704-N708 VanDerWaalsContact O-CB 3.3Å; F704-N708 WeakPolarHBondContact O-CB 3.48Å; F704-N708 PolarHBondContact O-N 3.16Å; Q706-N708 VanDerWaalsContact C-N 3.3Å; Q706-N708 PolarHBondContact O-N 2.84Å; N708-H711 PolarHBondContact O-CE1 3.35Å; N708-H711 VanDerWaalsContact O-CE1 3.25Å; N708-H711 PolarHBondContact O-ND1 3.39Å
709S89.3Confident93.1Very high84 Ų8449.8 Ų49.859%0.58729%0.285SS*.Hα-helixtrans-84.2-32.8-179.655.80000113.8A705 Q706A705-S709 WeakPolarHBondContact O-CB 3.17Å; A705-S709 PolarHBondContact O-N 2.83Å; A705-S709 VanDerWaalsContact O-N 3.13Å; A705-S709 PolarHBondContact O-OG 3.44Å; Q706-S709 PolarHBondContact O-N 2.95Å; Q706-S709 PolarHBondContact O-OG 3.15Å
710S88.9Confident93.1Very high40 Ų4053.9 Ų53.928%0.2830%0.303SS..Hα-helixtrans-77.3-24.4-179.671.80000113.4Q706 L712 D715Q706-S710 WeakPolarHBondContact O-CB 3.04Å; Q706-S710 PolarHBondContact O-N 2.93Å; Q706-S710 PolarHBondContact O-OG 2.91Å; S710-L712 PolarHBondContact O-N 3.27Å; S710-L712 VanDerWaalsContact O-N 3.17Å; S710-L712 PolarHBondContact OG-N 3.21Å; S710-D715 WeakPolarHBondContact CB-OD2 3.09Å; S710-D715 PolarHBondContact OG-OD2 3.4Å
711H83.9Confident93.1Very high161 Ų16158.3 Ų58.375%0.74532%0.321SS*.  trans56.720.3-171.2-53.1-56.1000114.1A707 N708A707-H711 PolarHBondContact O-N 2.97Å; N708-H711 PolarHBondContact O-CE1 3.35Å; N708-H711 VanDerWaalsContact O-CE1 3.25Å; N708-H711 PolarHBondContact O-ND1 3.39Å
712L88.4Confident93.2Very high94 Ų9459.5 Ų59.549%0.49233%0.326SS..  trans-95.5124.7177.9-62177.3000110.7S710 S714 D715S710-L712 PolarHBondContact O-N 3.27Å; S710-L712 VanDerWaalsContact O-N 3.17Å; S710-L712 PolarHBondContact OG-N 3.21Å; L712-S714 PolarHBondContact O-N 3.2Å; L712-D715 PolarHBondContact O-N 3.42Å; L712-D715 VanDerWaalsContact O-N 3.08Å
713D85.4Confident93.4Very high116 Ų11658.2 Ų58.262%0.6232%0.319SS*.G310 helixtrans-60.4-28.3177.9-80.5-28.2000112.8K618 D715 W716K618-D713 IonicContact NZ-OD1 3.1Å; K618-D713 PolarHBondContact NZ-OD1 3.04Å; D713-D715 PolarHBondContact O-N 3.11Å; D713-W716 PolarHBondContact O-N 2.98Å
714S89.6Confident93.5Very high88 Ų8860.6 Ų60.662%0.61534%0.335SS*.G310 helixtrans-63.3-26.8176.954.30000113.9L712 W716 G717L712-S714 PolarHBondContact O-N 3.2Å; S714-W716 VanDerWaalsContact C-N 3.34Å; S714-G717 PolarHBondContact O-N 2.96Å
715D93.3Very high93.6Very high21 Ų2160.1 Ų60.111%0.11233%0.334CS..G310 helixtrans-77.3-22.7-175.6-71.1-17.2000112.5A707 S710 L712 D713 G717 K718A707-D715 HydrophobicContact CB-CB 3.86Å; S710-D715 WeakPolarHBondContact CB-OD2 3.09Å; S710-D715 PolarHBondContact OG-OD2 3.4Å; L712-D715 PolarHBondContact O-N 3.42Å; L712-D715 VanDerWaalsContact O-N 3.08Å; D713-D715 PolarHBondContact O-N 3.11Å; D715-G717 PolarHBondContact O-N 3.1Å; D715-K718 WeakPolarHBondContact O-CB 3.32Å; D715-K718 PolarHBondContact O-N 3.1Å
716W95.9Very high93.8Very high25 Ų2558.3 Ų58.310%0.09532%0.318CS..Hα-helixtrans-62.9-25.1172.8-68.493.6000112.7D614 L615 K618 I620 F704 A707 D713 S714 K718 V719 H720D614-W716 HydrophobicContact CB-CH2 4.32Å; L615-W716 HydrophobicContact CD2-CE3 3.91Å; L615-W716 HydrophobicContact CD2-CZ3 3.74Å; K618-W716 HydrophobicContact CB-CD2 4.39Å; K618-W716 HydrophobicContact CB-CE3 4.4Å; K618-W716 HydrophobicContact CD-CD2 4.17Å; K618-W716 HydrophobicContact CD-CG 4.08Å; K618-W716 HydrophobicContact CG-CD2 3.69Å; K618-W716 HydrophobicContact CG-CE3 3.95Å; K618-W716 HydrophobicContact CG-CG 4.01Å; K618-W716 HydrophobicContact CG-CZ2 4.42Å; K618-W716 HydrophobicContact CG-CZ3 4.41Å; I620-W716 HydrophobicContact CD1-CB 4.1Å; I620-W716 HydrophobicContact CD1-CE3 4.46Å; I620-W716 WeakPolarHBondContact CD1-O 3.16Å; F704-W716 HydrophobicContact CD2-CH2 4.13Å; F704-W716 AromaticContact CD2-CZ3 3.75Å; F704-W716 HydrophobicContact CD2-CZ3 3.75Å; F704-W716 AromaticContact CE2-CH2 3.69Å; F704-W716 HydrophobicContact CE2-CH2 3.69Å; F704-W716 AromaticContact CE2-CZ3 3.61Å; F704-W716 HydrophobicContact CE2-CZ3 3.61Å; F704-W716 HydrophobicContact CZ-CH2 4.06Å; F704-W716 HydrophobicContact CZ-CZ3 4.43Å; A707-W716 HydrophobicContact CB-CD2 3.94Å; A707-W716 HydrophobicContact CB-CE3 4.32Å; A707-W716 HydrophobicContact CB-CG 4.22Å; A707-W716 HydrophobicContact CB-CZ2 4.34Å; D713-W716 PolarHBondContact O-N 2.98Å; S714-W716 VanDerWaalsContact C-N 3.34Å; W716-K718 PolarHBondContact O-N 3.15Å; W716-V719 HydrophobicContact CE3-CB 4.49Å; W716-V719 HydrophobicContact CE3-CG2 4.09Å; W716-V719 WeakPolarHBondContact O-CB 3.32Å; W716-V719 PolarHBondContact O-N 3.41Å; W716-V719 VanDerWaalsContact O-N 3.1Å; W716-H720 PolarHBondContact O-N 2.8Å
717G96Very high94Very high45 Ų4554.5 Ų54.546%0.46430%0.302SS..Hα-helixtrans-59.4-34.7171.400000113S714 D715 H720 Y721S714-G717 PolarHBondContact O-N 2.96Å; D715-G717 PolarHBondContact O-N 3.1Å; G717-H720 PolarHBondContact O-N 3.07Å; G717-Y721 PolarHBondContact O-N 3.21Å
718K95.4Very high94.2Very high93 Ų9361.5 Ų61.540%0.40434%0.335SS..Hα-helixtrans-69.2-36.6174.3-66179.7179.5172.90111.8A703 D715 W716 Y721 H722A703-K718 HydrophobicContact CB-CB 4.24Å; D715-K718 WeakPolarHBondContact O-CB 3.32Å; D715-K718 PolarHBondContact O-N 3.1Å; W716-K718 PolarHBondContact O-N 3.15Å; K718-Y721 WeakPolarHBondContact O-CB 3.49Å; K718-Y721 PolarHBondContact O-N 2.97Å; K718-H722 PolarHBondContact O-CD2 3Å; K718-H722 VanDerWaalsContact O-CD2 3.24Å; K718-H722 PolarHBondContact O-N 3.43Å
719V97.6Very high94.5Very high0 Ų057.7 Ų57.70%032%0.316CS..Hα-helixtrans-63.4-46.2175.8-166.60000110.2L615 I700 A703 F704 A707 W716 Y721 H722 V723L615-V719 HydrophobicContact CD2-CB 4.24Å; L615-V719 HydrophobicContact CD2-CG1 3.53Å; I700-V719 HydrophobicContact CG2-CG1 4.41Å; A703-V719 HydrophobicContact CB-CB 4.44Å; A703-V719 HydrophobicContact CB-CG2 3.95Å; A703-V719 WeakPolarHBondContact O-CG2 3.31Å; F704-V719 HydrophobicContact CB-CG1 4.42Å; A707-V719 HydrophobicContact CB-CG2 3.97Å; W716-V719 HydrophobicContact CE3-CB 4.49Å; W716-V719 HydrophobicContact CE3-CG2 4.09Å; W716-V719 WeakPolarHBondContact O-CB 3.32Å; W716-V719 PolarHBondContact O-N 3.41Å; W716-V719 VanDerWaalsContact O-N 3.1Å; V719-Y721 VanDerWaalsContact C-N 3.33Å; V719-Y721 PolarHBondContact O-N 2.8Å; V719-H722 PolarHBondContact O-N 3.24Å; V719-V723 WeakPolarHBondContact O-CG2 3.12Å; V719-V723 PolarHBondContact O-N 3.13Å
720H97.9Very high95Very high89 Ų8953.7 Ų53.741%0.41229%0.288SS..Hα-helixtrans-60.7-41.1175.3-170-171.9000112.4I620 W716 G717 H722 V723 S724I620-H720 HydrophobicContact CD1-CB 3.89Å; I620-H720 HydrophobicContact CG1-CB 3.95Å; I620-H720 HydrophobicContact CG2-CB 4.04Å; W716-H720 PolarHBondContact O-N 2.8Å; G717-H720 PolarHBondContact O-N 3.07Å; H720-H722 PolarHBondContact O-N 3.41Å; H720-V723 PolarHBondContact O-N 3.21Å; H720-S724 WeakPolarHBondContact O-CB 2.89Å; H720-S724 PolarHBondContact O-N 3Å; H720-S724 PolarHBondContact O-OG 2.85Å
721Y97.6Very high95.4Very high94 Ų9455 Ų5537%0.36929%0.29SS..Hα-helixtrans-55.8-50.4173168.6-105.3000111.5L674 G717 K718 V719 V723 S724 V725L674-Y721 PolarHBondContact O-OH 3.49Å; G717-Y721 PolarHBondContact O-N 3.21Å; K718-Y721 WeakPolarHBondContact O-CB 3.49Å; K718-Y721 PolarHBondContact O-N 2.97Å; V719-Y721 VanDerWaalsContact C-N 3.33Å; V719-Y721 PolarHBondContact O-N 2.8Å; Y721-V723 PolarHBondContact O-N 2.88Å; Y721-S724 WeakPolarHBondContact O-CB 3.03Å; Y721-S724 PolarHBondContact O-N 3.5Å; Y721-V725 HydrophobicContact CD1-CG2 4.31Å; Y721-V725 HydrophobicContact CD2-CG2 4Å; Y721-V725 HydrophobicContact CE1-CG2 3.94Å; Y721-V725 HydrophobicContact CE2-CG2 3.56Å; Y721-V725 HydrophobicContact CG-CG2 4.36Å; Y721-V725 WeakPolarHBondContact O-CG2 3.36Å; Y721-V725 PolarHBondContact O-N 2.03Å
722H97.9Very high96Very high26 Ų2648.6 Ų48.612%0.1227%0.267CS..Hα-helixtrans-68.3-35.7-179.3-77.5-71.3000113.6A675 G699 I700 K718 V719 H720 S724 V725 V726A675-H722 PolarHBondContact O-CE1 2.8Å; A675-H722 VanDerWaalsContact O-CE1 3.28Å; G699-H722 VanDerWaalsContact C-CG 3.44Å; G699-H722 WeakPolarHBondContact CA-ND1 3.34Å; G699-H722 PolarHBondContact O-CD2 2.87Å; G699-H722 VanDerWaalsContact O-CD2 3.25Å; G699-H722 VanDerWaalsContact O-CG 3.29Å; I700-H722 HydrophobicContact CG1-CB 3.97Å; K718-H722 PolarHBondContact O-CD2 3Å; K718-H722 VanDerWaalsContact O-CD2 3.24Å; K718-H722 PolarHBondContact O-N 3.43Å; V719-H722 PolarHBondContact O-N 3.24Å; H720-H722 PolarHBondContact O-N 3.41Å; H722-S724 VanDerWaalsContact C-N 3.27Å; H722-S724 PolarHBondContact O-N 2.56Å; H722-V725 PolarHBondContact O-N 2.89Å; H722-V726 VanDerWaalsContact O-CG2 3.28Å; H722-V726 WeakPolarHBondContact O-CG2 3.33Å; H722-V726 PolarHBondContact O-N 3.49Å
723V98.4Very high96.5Very high2 Ų244.1 Ų44.11%0.01224%0.244CC..Hα-helixtrans-57.5-44.9170.7171.50000110.3L615 L625 I700 V719 H720 Y721 A727L615-V723 HydrophobicContact CD1-CG2 4.46Å; L625-V723 HydrophobicContact CB-CG1 4.44Å; I700-V723 HydrophobicContact CD1-CG2 3.97Å; I700-V723 HydrophobicContact CG1-CG2 4.2Å; I700-V723 HydrophobicContact CG2-CG2 4.34Å; V719-V723 WeakPolarHBondContact O-CG2 3.12Å; V719-V723 PolarHBondContact O-N 3.13Å; H720-V723 PolarHBondContact O-N 3.21Å; Y721-V723 PolarHBondContact O-N 2.88Å; V723-A727 VanDerWaalsContact O-CB 3.31Å; V723-A727 WeakPolarHBondContact O-CB 3.38Å; V723-A727 PolarHBondContact O-N 3.48Å
724S98.4Very high97.1Very high56 Ų5638.7 Ų38.739%0.39222%0.215SC..Hα-helixtrans-66.5-44.7179.7-55.30000112.3H720 Y721 H722 V726 A727 Q728H720-S724 WeakPolarHBondContact O-CB 2.89Å; H720-S724 PolarHBondContact O-N 3Å; H720-S724 PolarHBondContact O-OG 2.85Å; Y721-S724 WeakPolarHBondContact O-CB 3.03Å; Y721-S724 PolarHBondContact O-N 3.5Å; H722-S724 VanDerWaalsContact C-N 3.27Å; H722-S724 PolarHBondContact O-N 2.56Å; S724-V726 PolarHBondContact O-N 3.42Å; S724-A727 PolarHBondContact O-N 2.86Å; S724-Q728 WeakPolarHBondContact O-CB 3.45Å; S724-Q728 PolarHBondContact O-N 3.18Å
725V98.2Very high97.3Very high8 Ų839 Ų395%0.04821%0.21CC..Hα-helixtrans-59.6-47.3178.4163.60000111.2N672 A675 V685 Y721 H722 A729N672-V725 HydrophobicContact CB-CG1 4.31Å; A675-V725 HydrophobicContact CB-CG1 4.23Å; V685-V725 HydrophobicContact CB-CG1 4.34Å; V685-V725 HydrophobicContact CG1-CG1 3.69Å; Y721-V725 HydrophobicContact CD1-CG2 4.31Å; Y721-V725 HydrophobicContact CD2-CG2 4Å; Y721-V725 HydrophobicContact CE1-CG2 3.94Å; Y721-V725 HydrophobicContact CE2-CG2 3.56Å; Y721-V725 HydrophobicContact CG-CG2 4.36Å; Y721-V725 WeakPolarHBondContact O-CG2 3.36Å; Y721-V725 PolarHBondContact O-N 2.03Å; H722-V725 PolarHBondContact O-N 2.89Å; V725-A729 WeakPolarHBondContact O-CB 3.27Å; V725-A729 PolarHBondContact O-N 3.34Å
726V98.4Very high97.3Very high2 Ų243 Ų431%0.01223%0.229CC..Hα-helixtrans-68.3-44.3-179.2177.20000110.6L625 V685 I686 F697 I700 H722 S724 Q728 A729 I730L625-V726 HydrophobicContact CD1-CB 4.19Å; L625-V726 HydrophobicContact CD1-CG1 3.56Å; V685-V726 HydrophobicContact CB-CG2 4.41Å; V685-V726 HydrophobicContact CG2-CG2 4.49Å; I686-V726 HydrophobicContact CD1-CG1 4.19Å; F697-V726 HydrophobicContact CB-CG1 4.37Å; F697-V726 HydrophobicContact CB-CG2 4.15Å; F697-V726 HydrophobicContact CD1-CG1 3.52Å; F697-V726 HydrophobicContact CD2-CG1 4.29Å; F697-V726 HydrophobicContact CE1-CG1 3.78Å; F697-V726 HydrophobicContact CE2-CG1 4.49Å; F697-V726 HydrophobicContact CG-CG1 3.8Å; F697-V726 HydrophobicContact CG-CG2 4.46Å; F697-V726 HydrophobicContact CZ-CG1 4.26Å; I700-V726 HydrophobicContact CD1-CB 4.39Å; I700-V726 HydrophobicContact CD1-CG2 4.24Å; I700-V726 HydrophobicContact CG1-CG2 4.35Å; H722-V726 VanDerWaalsContact O-CG2 3.28Å; H722-V726 WeakPolarHBondContact O-CG2 3.33Å; H722-V726 PolarHBondContact O-N 3.49Å; S724-V726 PolarHBondContact O-N 3.42Å; V726-Q728 VanDerWaalsContact C-N 3.35Å; V726-Q728 PolarHBondContact O-N 2.71Å; V726-A729 PolarHBondContact O-N 3.2Å; V726-I730 HydrophobicContact CG1-CD1 3.69Å; V726-I730 HydrophobicContact CG1-CG1 4.32Å; V726-I730 WeakPolarHBondContact O-CG1 3.31Å; V726-I730 PolarHBondContact O-N 3.06Å
727A98.6Very high97.3Very high8 Ų842 Ų427%0.06623%0.226CC..Hα-helixtrans-58.3-47177.400000111.6P624 L625 A628 V723 S724 A729 I730 E731P624-A727 HydrophobicContact CB-CB 4.24Å; L625-A727 HydrophobicContact CB-CB 4.13Å; L625-A727 HydrophobicContact CD1-CB 4.3Å; A628-A727 HydrophobicContact CB-CB 4.45Å; A628-A727 WeakPolarHBondContact CB-O 3.43Å; V723-A727 VanDerWaalsContact O-CB 3.31Å; V723-A727 WeakPolarHBondContact O-CB 3.38Å; V723-A727 PolarHBondContact O-N 3.48Å; S724-A727 PolarHBondContact O-N 2.86Å; A727-A729 PolarHBondContact O-N 2.8Å; A727-I730 PolarHBondContact O-N 2.95Å; A727-E731 WeakPolarHBondContact O-CB 3.45Å; A727-E731 PolarHBondContact O-N 3.42Å
728Q98.1Very high97.1Very high148 Ų14843 Ų4369%0.69222%0.22SC*.Hα-helixtrans-64.8-40.4178.9-173.7176.26.800112.5S724 V726 G732S724-Q728 WeakPolarHBondContact O-CB 3.45Å; S724-Q728 PolarHBondContact O-N 3.18Å; V726-Q728 VanDerWaalsContact C-N 3.35Å; V726-Q728 PolarHBondContact O-N 2.71Å; Q728-G732 PolarHBondContact O-N 2.98Å
729A98.3Very high96.3Very high12 Ų1247 Ų4710%0.09924%0.241CC..Hα-helixtrans-65.1-42.2177.500000112F670 V685 V725 V726 A727 G732 A733F670-A729 HydrophobicContact CD1-CB 4.44Å; V685-A729 HydrophobicContact CG2-CB 3.54Å; V725-A729 WeakPolarHBondContact O-CB 3.27Å; V725-A729 PolarHBondContact O-N 3.34Å; V726-A729 PolarHBondContact O-N 3.2Å; A727-A729 PolarHBondContact O-N 2.8Å; A729-G732 PolarHBondContact O-N 2.74Å; A729-A733 WeakPolarHBondContact O-CB 3.31Å; A729-A733 PolarHBondContact O-N 3.03Å
730I98.7Very high95Very high0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-67.3-41.5177.6-66.2173000111.3L600 L625 A628 V629 F632 F670 I686 F697 V726 A727 A733 A734L600-I730 HydrophobicContact CD1-CD1 4.49Å; L600-I730 HydrophobicContact CD1-CG1 4.42Å; L600-I730 HydrophobicContact CD1-CG2 4.15Å; L600-I730 HydrophobicContact CD2-CD1 4.02Å; L600-I730 HydrophobicContact CD2-CG1 4.36Å; L625-I730 HydrophobicContact CD1-CD1 3.83Å; A628-I730 HydrophobicContact CB-CB 4.05Å; A628-I730 HydrophobicContact CB-CG2 3.95Å; A628-I730 WeakPolarHBondContact O-CG2 3.39Å; V629-I730 HydrophobicContact CG2-CD1 3.85Å; V629-I730 HydrophobicContact CG2-CG2 4.32Å; F632-I730 HydrophobicContact CB-CG2 3.83Å; F632-I730 HydrophobicContact CG-CG2 4.39Å; F670-I730 HydrophobicContact CE1-CG1 4.08Å; I686-I730 HydrophobicContact CD1-CD1 4.12Å; I686-I730 HydrophobicContact CD1-CG1 3.99Å; F697-I730 HydrophobicContact CE1-CD1 3.92Å; F697-I730 HydrophobicContact CZ-CD1 4.08Å; V726-I730 HydrophobicContact CG1-CD1 3.69Å; V726-I730 HydrophobicContact CG1-CG1 4.32Å; V726-I730 WeakPolarHBondContact O-CG1 3.31Å; V726-I730 PolarHBondContact O-N 3.06Å; A727-I730 PolarHBondContact O-N 2.95Å; I730-A733 PolarHBondContact O-N 3.29Å; I730-A734 PolarHBondContact O-N 2.94Å
731E98Very high93.1Very high67 Ų6757.5 Ų57.531%0.31330%0.3SS..Hα-helixtrans-63.5-45.4175.5-167.968.6-169.400111.2A628 N631 A727 A733 A734 D735A628-E731 WeakPolarHBondContact CA-OE2 3.28Å; A628-E731 HydrophobicContact CB-CB 4.3Å; N631-E731 WeakPolarHBondContact CB-OE2 3.26Å; N631-E731 VanDerWaalsContact ND2-CD 3.3Å; N631-E731 PolarHBondContact ND2-OE1 2.83Å; N631-E731 PolarHBondContact ND2-OE2 3.12Å; A727-E731 WeakPolarHBondContact O-CB 3.45Å; A727-E731 PolarHBondContact O-N 3.42Å; E731-A733 VanDerWaalsContact C-N 3.29Å; E731-A733 PolarHBondContact O-N 2.92Å; E731-A734 WeakPolarHBondContact O-CA 3.49Å; E731-A734 VanDerWaalsContact O-CB 3.31Å; E731-A734 WeakPolarHBondContact O-CB 3.31Å; E731-A734 PolarHBondContact O-N 2.89Å; E731-D735 PolarHBondContact O-N 3.16Å
732G96.5Very high92.9Very high27 Ų2755.7 Ų55.728%0.27830%0.296SS..Hα-helixtrans-61.4-36.7175.500000112.9Q728 A729 D735 M736Q728-G732 PolarHBondContact O-N 2.98Å; A729-G732 PolarHBondContact O-N 2.74Å; G732-D735 PolarHBondContact O-N 3.37Å; G732-M736 WeakPolarHBondContact O-CG 3.34Å; G732-M736 PolarHBondContact O-N 3.28Å
733A97.6Very high92.6Very high0 Ų057.2 Ų57.20%031%0.306CS..Hα-helixtrans-66.9-37.1172.900000112.1F632 A669 F670 A729 I730 E731 M736F632-A733 HydrophobicContact CD2-CB 3.99Å; F632-A733 HydrophobicContact CE2-CB 3.85Å; A669-A733 HydrophobicContact CB-CB 3.73Å; F670-A733 HydrophobicContact CD1-CB 4.15Å; F670-A733 HydrophobicContact CE1-CB 3.46Å; F670-A733 VanDerWaalsContact CE1-CB 3.46Å; F670-A733 HydrophobicContact CE2-CB 4.31Å; F670-A733 HydrophobicContact CZ-CB 3.55Å; A729-A733 WeakPolarHBondContact O-CB 3.31Å; A729-A733 PolarHBondContact O-N 3.03Å; I730-A733 PolarHBondContact O-N 3.29Å; E731-A733 VanDerWaalsContact C-N 3.29Å; E731-A733 PolarHBondContact O-N 2.92Å; A733-M736 PolarHBondContact O-N 3.01Å
734A97.8Very high92.3Very high2 Ų260.3 Ų60.32%0.01732%0.322CS..Hα-helixtrans-62.8-42.5173.800000111.4N631 F632 A635 I730 E731 M736 L737 N738N631-A734 HydrophobicContact CB-CB 4.48Å; F632-A734 HydrophobicContact CB-CB 4.07Å; F632-A734 HydrophobicContact CD2-CB 4.29Å; A635-A734 HydrophobicContact CB-CB 4.15Å; A635-A734 WeakPolarHBondContact CB-O 3.43Å; I730-A734 PolarHBondContact O-N 2.94Å; E731-A734 WeakPolarHBondContact O-CA 3.49Å; E731-A734 VanDerWaalsContact O-CB 3.31Å; E731-A734 WeakPolarHBondContact O-CB 3.31Å; E731-A734 PolarHBondContact O-N 2.89Å; A734-M736 VanDerWaalsContact C-N 3.29Å; A734-M736 PolarHBondContact O-N 2.87Å; A734-L737 PolarHBondContact O-N 3.06Å; A734-N738 PolarHBondContact O-N 3.09Å
735D95Very high92Very high95 Ų9560.5 Ų60.551%0.50832%0.318SS..Hα-helixtrans-61.7-35177-77.4-23.2000113E731 G732 L737 N738E731-D735 PolarHBondContact O-N 3.16Å; G732-D735 PolarHBondContact O-N 3.37Å; D735-L737 PolarHBondContact O-N 2.68Å; D735-N738 PolarHBondContact O-N 2.8Å
736M93.4Very high91.6Very high104 Ų10463.8 Ų63.851%0.51234%0.335SS..Hα-helixtrans-64.7-26.7174.8-69.4-67.7166.200113.1Q662 A669 G732 A733 A734Q662-M736 WeakPolarHBondContact CG-O 3.18Å; Q662-M736 PolarHBondContact NE2-O 2.96Å; A669-M736 HydrophobicContact CB-CG 4.31Å; G732-M736 WeakPolarHBondContact O-CG 3.34Å; G732-M736 PolarHBondContact O-N 3.28Å; A733-M736 PolarHBondContact O-N 3.01Å; A734-M736 VanDerWaalsContact C-N 3.29Å; A734-M736 PolarHBondContact O-N 2.87Å
737L95.4Very high91.1Very high4 Ų467.9 Ų67.92%0.02136%0.356CS..Hα-helixtrans-84.8-17178.2-58.1-178.8000112.9C593 F632 A635 A636 L639 Q662 M666 A734 D735C593-L737 HydrophobicContact CB-CD1 4Å; F632-L737 HydrophobicContact CD2-CD1 4.43Å; F632-L737 HydrophobicContact CE2-CD1 3.89Å; F632-L737 HydrophobicContact CZ-CD1 3.95Å; A635-L737 HydrophobicContact CB-CB 4Å; A636-L737 HydrophobicContact CB-CD1 4.11Å; L639-L737 HydrophobicContact CD2-CB 4.4Å; L639-L737 HydrophobicContact CD2-CD2 3.82Å; Q662-L737 PolarHBondContact NE2-O 3.12Å; M666-L737 HydrophobicContact CB-CD2 4.09Å; M666-L737 HydrophobicContact CG-CD2 3.98Å; M666-L737 HydrophobicContact CG-CG 4.43Å; M666-L737 HydrophobicContact SD-CD1 4.48Å; M666-L737 HydrophobicContact SD-CD2 4.34Å; A734-L737 PolarHBondContact O-N 3.06Å; D735-L737 PolarHBondContact O-N 2.68Å
738N91.4Very high90.6Very high65 Ų6572.2 Ų72.235%0.34838%0.377SS..SBendtrans-71.8159.9178.4-71.4-35.6000112.2Q662 A734 D735 V740Q662-N738 PolarHBondContact NE2-O 3.11Å; A734-N738 PolarHBondContact O-N 3.09Å; D735-N738 PolarHBondContact O-N 2.8Å; N738-V740 PolarHBondContact O-N 3.27Å
739E78.6Confident90Very high178 Ų17866.4 Ų66.483%0.83235%0.353SS*.PPolyproline II helixtrans-62.1120.1179.8-167.3172.6-163.800111.1
740V71.1Confident89.3Confident77 Ų7770.9 Ų70.947%0.46737%0.374SS..PPolyproline II helixtrans-73.1132-177.9-1600000110.1K658 N738K658-V740 HydrophobicContact CG-CG2 4.47Å; K658-V740 PolarHBondContact NZ-O 3.38Å; N738-V740 PolarHBondContact O-N 3.27Å
741I58.4Low88.5Confident232 Ų23277.4 Ų77.4100%1.1941%0.408SS*.  trans-61.30178-59.8173.1000111.9

Retrieved 741 of 741 residues in 4030.6 ms (Link to these results)

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