A0A077Z886_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z886, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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
1M29.6Very low52.9Low232 Ų232110.7 Ų110.7100%1.14357%0.573SS**  079.20-73.9173.5178.400105.8
2T35.2Very low55.7Low106 Ų106103.3 Ų103.365%0.6554%0.541SS*.  81.384.410450.10000111.6L4 E5T2-L4 PolarHBondContact O-N 2.82Å; T2-E5 PolarHBondContact O-N 2.88Å
3D36.2Very low58.2Low156 Ų156100.2 Ų100.283%0.83452%0.524SS*.THydrogen-bonded Turntrans-60.420.8175-70.1-50.1000115.4
4L39.3Very low60.5Low136 Ų13696 Ų9671%0.71250%0.504SS*.THydrogen-bonded Turntrans-131.411.1-178.5-113.894.2000114.6T2 V6T2-L4 PolarHBondContact O-N 2.82Å; L4-V6 PolarHBondContact O-N 3.37Å
5E37.7Very low62.6Low169 Ų16993.9 Ų93.979%0.7949%0.493SS*.  trans-83.119.2158.1-83-166.6166.700112.3T2 M7T2-E5 PolarHBondContact O-N 2.88Å; E5-M7 PolarHBondContact O-N 3.02Å
6V45.7Very low64.4Low99 Ų9990.9 Ų90.960%0.648%0.476SS*.  trans-57.9103.9154.3-175.80000104.8L4 G8L4-V6 PolarHBondContact O-N 3.37Å; V6-G8 PolarHBondContact O-N 2.79Å
7M49.6Very low66Low135 Ų13587.5 Ų87.567%0.66546%0.461SS*.  trans-64.845.1176.4-73.3-160.662.600111.6E5E5-M7 PolarHBondContact O-N 3.02Å
8G68.4Low67.5Low23 Ų2383.1 Ų83.124%0.23744%0.439CS..  trans-73.6153.9-178.200000111.3V6 F171V6-G8 PolarHBondContact O-N 2.79Å; G8-F171 CarbonylContact C-O 3.58Å; G8-F171 VanDerWaalsContact CA-O 3.27Å; G8-F171 WeakPolarHBondContact CA-O 3.27Å
9C78Confident68.9Low13 Ų1379.4 Ų79.49%0.08842%0.419CS..  trans-66.2153.6172-520000109.1L11 K94 V95 G96 F171C9-L11 WeakPolarHBondContact CB-O 3.16Å; C9-K94 WeakPolarHBondContact CB-O 3.44Å; C9-K94 PolarHBondContact SG-O 2.9Å; C9-V95 VanDerWaalsContact SG-C 3.59Å; C9-G96 VanDerWaalsContact CB-N 3.32Å; C9-G96 VanDerWaalsContact SG-CA 3.59Å; C9-G96 PolarHBondContact SG-N 3.43Å; C9-F171 HydrophobicContact CB-CD1 4.49Å; C9-F171 WeakPolarHBondContact CB-O 3.06Å; C9-F171 PolarHBondContact N-O 3.49Å; C9-F171 VanDerWaalsContact O-CD1 3.22Å; C9-F171 WeakPolarHBondContact O-CD1 3.28Å; C9-F171 PolarHBondContact SG-O 3.33Å
10R78.5Confident70Confident132 Ų13276 Ų7650%0.49840%0.402SS..SBendtrans-91.8-7.8167-64.7-168.781.2-169.59.9113A79R10-A79 PolarHBondContact NH1-O 2.85Å; R10-A79 VanDerWaalsContact NH1-O 3.12Å
11L83.2Confident71Confident17 Ų1772.6 Ų72.69%0.08939%0.386CS..  trans-137.4127.4-177.7173.854.6000107.5C9 F75 C76 V95 G96C9-L11 WeakPolarHBondContact CB-O 3.16Å; L11-F75 HydrophobicContact CD1-CD1 3.62Å; L11-F75 HydrophobicContact CD1-CE1 3.45Å; L11-F75 VanDerWaalsContact CD1-CE1 3.45Å; L11-F75 HydrophobicContact CD2-CD1 3.7Å; L11-F75 HydrophobicContact CD2-CE1 4.3Å; L11-F75 HydrophobicContact CG-CD1 4.28Å; L11-F75 HydrophobicContact CG-CE1 4.43Å; L11-C76 HydrophobicContact CD2-CB 4.22Å; L11-C76 WeakPolarHBondContact CD2-SG 3.21Å; L11-V95 HydrophobicContact CD2-CG1 4.29Å; L11-V95 HydrophobicContact CD2-CG2 4.23Å; L11-V95 HydrophobicContact CG-CG1 4.03Å; L11-V95 CarbonylContact O-C 3.55Å; L11-V95 WeakPolarHBondContact O-CA 3.43Å; L11-G96 PolarHBondContact O-N 3.07Å
12A87.1Confident74Confident22 Ų2261.8 Ų61.818%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-115.9133.2166.300000109.1G96 C170 F171A12-G96 CarbonylContact C-O 3.52Å; A12-G96 VanDerWaalsContact CA-O 3.32Å; A12-G96 WeakPolarHBondContact CA-O 3.47Å; A12-C170 HydrophobicContact CB-CB 3.88Å; A12-F171 HydrophobicContact CB-CD1 3.99Å; A12-F171 HydrophobicContact CB-CD2 4.15Å; A12-F171 HydrophobicContact CB-CE1 3.91Å; A12-F171 HydrophobicContact CB-CE2 4.03Å; A12-F171 HydrophobicContact CB-CG 4.15Å; A12-F171 HydrophobicContact CB-CZ 3.93Å
13I88.1Confident76.6Confident62 Ų6257.9 Ų57.932%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-103122.1171.7-61.8173.4000107.3V72 V95 G96 F97 G98I13-V72 HydrophobicContact CD1-CG1 3.49Å; I13-V72 VanDerWaalsContact CD1-CG1 3.49Å; I13-V95 HydrophobicContact CB-CG1 4.48Å; I13-V95 HydrophobicContact CD1-CG1 3.73Å; I13-V95 HydrophobicContact CG1-CG1 3.76Å; I13-G96 PolarHBondContact N-O 2.65Å; I13-F97 WeakPolarHBondContact O-CA 3.4Å; I13-F97 WeakPolarHBondContact O-CD2 3.43Å; I13-G98 PolarHBondContact O-N 2.88Å
14V90.6Very high79.3Confident42 Ų4252.7 Ų52.726%0.25528%0.284SS..EExtended strand (participates in β ladder)trans-118.3119.8-178.9-176.60000110.2G98 I100 F166 L167 C170V14-G98 CarbonylContact C-O 3.54Å; V14-G98 VanDerWaalsContact CA-O 3.26Å; V14-G98 WeakPolarHBondContact CA-O 3.16Å; V14-I100 HydrophobicContact CG1-CD1 3.89Å; V14-I100 HydrophobicContact CG1-CG1 3.88Å; V14-F166 HydrophobicContact CG1-CE1 4.48Å; V14-L167 HydrophobicContact CB-CD2 4.01Å; V14-L167 HydrophobicContact CG1-CD2 3.8Å; V14-L167 HydrophobicContact CG2-CD2 3.67Å; V14-C170 HydrophobicContact CG2-CB 4.31Å
15L91.1Very high81.6Confident65 Ų6547.9 Ų47.934%0.3426%0.261SS..EExtended strand (participates in β ladder)trans-90126179.5-178.863.6000110.7V17 F97 G98 Q99 I100L15-V17 HydrophobicContact CD2-CG2 3.86Å; L15-V17 HydrophobicContact CG-CG2 3.78Å; L15-F97 HydrophobicContact CB-CE2 4.38Å; L15-F97 HydrophobicContact CB-CZ 4.48Å; L15-G98 PolarHBondContact N-O 3.27Å; L15-Q99 HydrophobicContact CB-CG 4.48Å; L15-Q99 CarbonylContact O-C 3.48Å; L15-Q99 WeakPolarHBondContact O-CA 3.34Å; L15-I100 PolarHBondContact O-N 3.46Å
16M92.4Very high84.1Confident45 Ų4546 Ų4622%0.22225%0.25CC..EExtended strand (participates in β ladder)trans-96.6119174.7-58.6-68.5-68.400110.3K24 L27 I100 V102M16-K24 HydrophobicContact CB-CB 4.41Å; M16-K24 HydrophobicContact CB-CD 4.24Å; M16-K24 HydrophobicContact CE-CB 4.49Å; M16-L27 HydrophobicContact CE-CB 4.19Å; M16-L27 HydrophobicContact CE-CD2 3.54Å; M16-L27 HydrophobicContact CE-CG 3.99Å; M16-I100 HydrophobicContact CE-CB 4.28Å; M16-I100 HydrophobicContact CE-CG2 4.11Å; M16-I100 HydrophobicContact SD-CB 3.62Å; M16-I100 HydrophobicContact SD-CD1 3.77Å; M16-I100 HydrophobicContact SD-CG1 4.12Å; M16-I100 HydrophobicContact SD-CG2 4.1Å; M16-V102 HydrophobicContact CE-CG2 4.26Å
17V91.7Very high86.3Confident34 Ų3441.3 Ų41.321%0.20622%0.221CC..EExtended strand (participates in β ladder)trans-118.6138.5-177.1-175.50000109.4L15 Q99 I100 A101 V102 M134L15-V17 HydrophobicContact CD2-CG2 3.86Å; L15-V17 HydrophobicContact CG-CG2 3.78Å; V17-Q99 HydrophobicContact CG2-CG 4.03Å; V17-I100 PolarHBondContact N-O 2.95Å; V17-A101 CarbonylContact O-C 3.59Å; V17-A101 WeakPolarHBondContact O-CA 3.37Å; V17-V102 PolarHBondContact O-N 3.19Å; V17-M134 HydrophobicContact CG1-CE 3.74Å
18G92.5Very high88.3Confident7 Ų735.7 Ų35.77%0.07220%0.195CC..  trans161.2161.6-175.700000112.2K24 M134G18-K24 PolarHBondContact O-NZ 3.02Å; G18-M134 VanDerWaalsContact CA-CE 3.41Å
19L93.4Very high89.3Confident13 Ų1342 Ų427%0.06821%0.212CC..  trans-63.2157.1176.6-63.5176.6000112.6G21 A22 K24 V106 A109 M130 A131 M134L19-G21 PolarHBondContact O-N 3.48Å; L19-A22 HydrophobicContact CB-CB 4.44Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 3.24Å; L19-K24 PolarHBondContact O-NZ 2.94Å; L19-V106 HydrophobicContact CD1-CB 4.49Å; L19-A109 HydrophobicContact CB-CB 4.01Å; L19-A109 HydrophobicContact CD1-CB 4.01Å; L19-M130 HydrophobicContact CD2-CB 3.82Å; L19-A131 HydrophobicContact CD1-CB 3.96Å; L19-A131 HydrophobicContact CD2-CB 4.07Å; L19-M134 HydrophobicContact CD2-SD 3.81Å; L19-M134 HydrophobicContact CG-SD 4.2Å
20P92.2Very high89.9Confident11 Ų1144.8 Ų44.87%0.07122%0.223CC..THydrogen-bonded Turntrans-53.1134.2159.8-21.633.6000109.2A22 A109 V122 I127 M130P20-A22 VanDerWaalsContact C-N 3.31Å; P20-A22 PolarHBondContact O-N 2.68Å; P20-A109 WeakPolarHBondContact O-CB 3.35Å; P20-V122 HydrophobicContact CB-CB 4.03Å; P20-V122 HydrophobicContact CB-CG1 4.42Å; P20-V122 HydrophobicContact CB-CG2 3.91Å; P20-V122 HydrophobicContact CG-CB 4.25Å; P20-V122 HydrophobicContact CG-CG1 4.12Å; P20-V122 HydrophobicContact CG-CG2 4.12Å; P20-I127 HydrophobicContact CB-CD1 4.17Å; P20-I127 HydrophobicContact CB-CG1 4.03Å; P20-I127 HydrophobicContact CG-CG1 4.11Å; P20-M130 VanDerWaalsContact CD-SD 3.57Å; P20-M130 HydrophobicContact CG-CE 4.21Å; P20-M130 HydrophobicContact CG-SD 3.62Å
21G90.7Very high90.5Very high6 Ų638.8 Ų38.86%0.06220%0.2CC..THydrogen-bonded Turntrans80.4-3.8-173.200000116.2L19 G23 R112 R116L19-G21 PolarHBondContact O-N 3.48Å; G21-G23 PolarHBondContact O-N 3.02Å; G21-R112 WeakPolarHBondContact O-CB 3.36Å; G21-R112 WeakPolarHBondContact O-CD 3.3Å; G21-R116 VanDerWaalsContact N-NH2 3.15Å
22A92.1Very high90.9Very high4 Ų439.3 Ų39.33%0.03320%0.204CC..SBendtrans-65.5-22.7178.200000114.2L19 P20 V102 T104 R112L19-A22 HydrophobicContact CB-CB 4.44Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 3.24Å; P20-A22 VanDerWaalsContact C-N 3.31Å; P20-A22 PolarHBondContact O-N 2.68Å; A22-V102 HydrophobicContact CB-CB 4.3Å; A22-V102 HydrophobicContact CB-CG1 4.04Å; A22-V102 WeakPolarHBondContact O-CG1 3.26Å; A22-T104 PolarHBondContact O-OG1 3.42Å; A22-R112 PolarHBondContact O-NH1 3.46Å
23G90.1Very high91Very high25 Ų2541.7 Ų41.726%0.25821%0.214SC..SBendtrans105.710.6179.700000115.2G21 T25 F26 L27G21-G23 PolarHBondContact O-N 3.02Å; G23-T25 PolarHBondContact O-N 3.39Å; G23-F26 WeakPolarHBondContact O-CB 3.22Å; G23-F26 PolarHBondContact O-N 3.26Å; G23-F26 VanDerWaalsContact O-N 3.17Å; G23-L27 PolarHBondContact O-N 3.18Å
24K92.3Very high91Very high46 Ų4640.8 Ų40.820%0.221%0.209CC..Hα-helixtrans-50.7-54.7178.8-57.1-175.2-62-770113.1M16 G18 L19 F26 L27 C28 V102M16-K24 HydrophobicContact CB-CB 4.41Å; M16-K24 HydrophobicContact CB-CD 4.24Å; M16-K24 HydrophobicContact CE-CB 4.49Å; G18-K24 PolarHBondContact O-NZ 3.02Å; L19-K24 PolarHBondContact O-NZ 2.94Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.41Å; K24-L27 PolarHBondContact O-N 2.6Å; K24-L27 VanDerWaalsContact O-N 3.16Å; K24-C28 PolarHBondContact O-N 2.68Å; K24-C28 PolarHBondContact O-SG 3.12Å; K24-V102 HydrophobicContact CG-CB 4.42Å; K24-V102 HydrophobicContact CG-CG2 4.14Å
25T88.8Confident90.9Very high36 Ų3639 Ų3922%0.22120%0.198CC..Hα-helixtrans-61.7-37.5-179.7-46.80000112.4G23 C28 R29G23-T25 PolarHBondContact O-N 3.39Å; T25-C28 PolarHBondContact O-N 2.71Å; T25-R29 WeakPolarHBondContact O-CG 3.42Å; T25-R29 PolarHBondContact O-N 3.23Å; T25-R29 VanDerWaalsContact O-N 3.08Å
26F89.3Confident90.7Very high128 Ų12842.1 Ų42.156%0.56121%0.211SC*.Hα-helixtrans-63.5-46.8175.2169.2-98.4000110.9G23 K24 R29 K30 F160G23-F26 WeakPolarHBondContact O-CB 3.22Å; G23-F26 PolarHBondContact O-N 3.26Å; G23-F26 VanDerWaalsContact O-N 3.17Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.41Å; F26-R29 PolarHBondContact O-N 3.19Å; F26-K30 WeakPolarHBondContact O-CB 3.43Å; F26-K30 PolarHBondContact O-N 3.31Å; F26-F160 HydrophobicContact CE1-CE1 4.32Å; F26-F160 AromaticContact CE1-CZ 3.88Å; F26-F160 HydrophobicContact CE1-CZ 3.88Å; F26-F160 HydrophobicContact CZ-CZ 4.31Å
27L91.9Very high90.4Very high1 Ų147.9 Ų47.91%0.00524%0.235CC..Hα-helixtrans-61-45175.7179.157.7000111.8M16 G23 K24 R29 K30 M31 I100 V102 L151 L154 F160 V163M16-L27 HydrophobicContact CE-CB 4.19Å; M16-L27 HydrophobicContact CE-CD2 3.54Å; M16-L27 HydrophobicContact CE-CG 3.99Å; G23-L27 PolarHBondContact O-N 3.18Å; K24-L27 PolarHBondContact O-N 2.6Å; K24-L27 VanDerWaalsContact O-N 3.16Å; L27-R29 PolarHBondContact O-N 3.1Å; L27-K30 PolarHBondContact O-N 3.23Å; L27-M31 HydrophobicContact CD1-CE 3.87Å; L27-M31 HydrophobicContact CD1-CG 4.14Å; L27-M31 HydrophobicContact CG-CG 4.5Å; L27-M31 WeakPolarHBondContact O-CG 3.46Å; L27-M31 PolarHBondContact O-N 2.77Å; L27-I100 HydrophobicContact CD2-CG2 4.22Å; L27-V102 HydrophobicContact CD2-CG2 4.43Å; L27-L151 HydrophobicContact CD2-CD1 3.43Å; L27-L151 VanDerWaalsContact CD2-CD1 3.43Å; L27-L154 HydrophobicContact CB-CD1 4.34Å; L27-L154 HydrophobicContact CD1-CD1 4.21Å; L27-L154 HydrophobicContact CD1-CD2 4.22Å; L27-L154 HydrophobicContact CD2-CD1 3.88Å; L27-L154 HydrophobicContact CG-CD1 4.37Å; L27-F160 HydrophobicContact CD1-CD1 3.88Å; L27-F160 HydrophobicContact CD1-CE1 3.87Å; L27-V163 HydrophobicContact CD1-CG1 4.22Å; L27-V163 HydrophobicContact CD1-CG2 4.23Å; L27-V163 HydrophobicContact CD2-CG1 4.46Å; L27-V163 HydrophobicContact CD2-CG2 4.35Å
28C92Very high89.7Confident17 Ų1747.8 Ų47.812%0.11523%0.233CC..Hα-helixtrans-57-47.8177.4-670000112.2K24 T25 M31 V32 H48K24-C28 PolarHBondContact O-N 2.68Å; K24-C28 PolarHBondContact O-SG 3.12Å; T25-C28 PolarHBondContact O-N 2.71Å; C28-M31 PolarHBondContact O-N 3.5Å; C28-V32 WeakPolarHBondContact O-CG2 2.91Å; C28-V32 PolarHBondContact O-N 3.26Å; C28-H48 HydrophobicContact CB-CB 4.38Å; C28-H48 WeakPolarHBondContact CB-CD2 3.49Å; C28-H48 PolarHBondContact SG-CD2 2.82Å
29R89.9Confident88.7Confident155 Ų15554.9 Ų54.959%0.58527%0.269SS*.Hα-helixtrans-62.6-45178.5-71.6176.6-174.8153.92.2111.5T25 F26 L27 M31 V32 D33T25-R29 WeakPolarHBondContact O-CG 3.42Å; T25-R29 PolarHBondContact O-N 3.23Å; T25-R29 VanDerWaalsContact O-N 3.08Å; F26-R29 PolarHBondContact O-N 3.19Å; L27-R29 PolarHBondContact O-N 3.1Å; R29-M31 VanDerWaalsContact C-N 3.28Å; R29-M31 PolarHBondContact O-N 3.39Å; R29-V32 WeakPolarHBondContact O-CB 3.48Å; R29-V32 PolarHBondContact O-N 2.88Å; R29-V32 VanDerWaalsContact O-N 3.17Å; R29-D33 PolarHBondContact O-N 3.08Å
30K89.9Confident87.4Confident73 Ų7356.9 Ų56.932%0.31728%0.284SS..Hα-helixtrans-61.6-37.2177.4-170.664.9173.1-174.70112.2F26 L27 D33 I34 F160F26-K30 WeakPolarHBondContact O-CB 3.43Å; F26-K30 PolarHBondContact O-N 3.31Å; L27-K30 PolarHBondContact O-N 3.23Å; K30-D33 PolarHBondContact O-N 3.04Å; K30-I34 HydrophobicContact CG-CD1 4.04Å; K30-I34 WeakPolarHBondContact O-CB 3.45Å; K30-I34 VanDerWaalsContact O-CG1 3.26Å; K30-I34 WeakPolarHBondContact O-CG1 3.46Å; K30-I34 PolarHBondContact O-N 3.48Å; K30-F160 HydrophobicContact CB-CD1 4.43Å; K30-F160 HydrophobicContact CB-CE1 4.05Å; K30-F160 HydrophobicContact CG-CD1 3.73Å; K30-F160 HydrophobicContact CG-CE1 3.57Å; K30-F160 HydrophobicContact CG-CE2 4.44Å; K30-F160 HydrophobicContact CG-CG 4.25Å; K30-F160 HydrophobicContact CG-CZ 3.95Å
31M91.2Very high85.5Confident6 Ų664.9 Ų64.93%0.0333%0.325CS..Hα-helixtrans-67-42.6174.5-72.2-58.7112.200112.1L27 C28 R29 D33 I34 F35 F160 V163 L167L27-M31 HydrophobicContact CD1-CE 3.87Å; L27-M31 HydrophobicContact CD1-CG 4.14Å; L27-M31 HydrophobicContact CG-CG 4.5Å; L27-M31 WeakPolarHBondContact O-CG 3.46Å; L27-M31 PolarHBondContact O-N 2.77Å; C28-M31 PolarHBondContact O-N 3.5Å; R29-M31 VanDerWaalsContact C-N 3.28Å; R29-M31 PolarHBondContact O-N 3.39Å; M31-D33 VanDerWaalsContact C-N 3.32Å; M31-D33 PolarHBondContact O-N 2.83Å; M31-I34 HydrophobicContact CE-CD1 3.55Å; M31-I34 PolarHBondContact O-N 2.77Å; M31-F35 VanDerWaalsContact O-CD2 3.29Å; M31-F35 WeakPolarHBondContact O-CD2 3.35Å; M31-F35 PolarHBondContact O-N 3.2Å; M31-F35 HydrophobicContact SD-CE2 4.49Å; M31-F160 HydrophobicContact CE-CB 3.92Å; M31-F160 HydrophobicContact CE-CD1 3.58Å; M31-F160 HydrophobicContact CE-CG 4.2Å; M31-V163 HydrophobicContact CE-CB 4.05Å; M31-V163 HydrophobicContact CE-CG1 4.08Å; M31-V163 HydrophobicContact CG-CG1 3.89Å; M31-V163 HydrophobicContact SD-CB 3.97Å; M31-V163 HydrophobicContact SD-CG1 3.52Å; M31-V163 VanDerWaalsContact SD-CG1 3.52Å; M31-L167 HydrophobicContact CB-CD1 4.2Å; M31-L167 HydrophobicContact CG-CD1 3.84Å; M31-L167 HydrophobicContact SD-CD1 3.84Å
32V91.1Very high84.2Confident27 Ų2770.3 Ų70.316%0.16435%0.348CS..Hα-helixtrans-55.1-50.6172.2172.70000110C28 R29 I34 F35 E36 V46 H48C28-V32 WeakPolarHBondContact O-CG2 2.91Å; C28-V32 PolarHBondContact O-N 3.26Å; R29-V32 WeakPolarHBondContact O-CB 3.48Å; R29-V32 PolarHBondContact O-N 2.88Å; R29-V32 VanDerWaalsContact O-N 3.17Å; V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.18Å; V32-F35 PolarHBondContact O-N 2.67Å; V32-E36 HydrophobicContact CG1-CG 4.12Å; V32-E36 WeakPolarHBondContact CG1-OE1 3.38Å; V32-E36 WeakPolarHBondContact O-CB 3.44Å; V32-E36 WeakPolarHBondContact O-CG 3.38Å; V32-E36 PolarHBondContact O-N 3.36Å; V32-V46 HydrophobicContact CG2-CB 4.08Å; V32-V46 HydrophobicContact CG2-CG1 3.7Å; V32-H48 HydrophobicContact CG2-CB 4.41Å
33D89.8Confident83.3Confident73 Ų7377.5 Ų77.539%0.3938%0.379SS..Hα-helixtrans-59.4-40.3179.5-63-20.3000113R29 K30 M31 K37R29-D33 PolarHBondContact O-N 3.08Å; K30-D33 PolarHBondContact O-N 3.04Å; M31-D33 VanDerWaalsContact C-N 3.32Å; M31-D33 PolarHBondContact O-N 2.83Å; D33-K37 WeakPolarHBondContact O-CB 3.41Å; D33-K37 WeakPolarHBondContact O-CD 3.29Å; D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.21Å; D33-K37 PolarHBondContact O-N 3.25Å
34I88.4Confident82.9Confident43 Ų4377.7 Ų77.722%0.22138%0.375CS..Hα-helixtrans-66.6-46.7180-75.5166000110.5K30 M31 V32 K37 D38 F160 R164K30-I34 HydrophobicContact CG-CD1 4.04Å; K30-I34 WeakPolarHBondContact O-CB 3.45Å; K30-I34 VanDerWaalsContact O-CG1 3.26Å; K30-I34 WeakPolarHBondContact O-CG1 3.46Å; K30-I34 PolarHBondContact O-N 3.48Å; M31-I34 HydrophobicContact CE-CD1 3.55Å; M31-I34 PolarHBondContact O-N 2.77Å; V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.18Å; I34-K37 PolarHBondContact O-N 2.93Å; I34-D38 PolarHBondContact O-N 3.11Å; I34-F160 HydrophobicContact CD1-CB 3.84Å; I34-F160 HydrophobicContact CD1-CG 4.36Å; I34-R164 HydrophobicContact CG2-CG 4.44Å
35F88.5Confident82.5Confident5 Ų585.3 Ų85.32%0.02240%0.403CS..Hα-helixtrans-74.8-27.6-179.4-82.1-77.2000113.3M31 V32 K37 D38 V44 V46 R164 L167 I168M31-F35 VanDerWaalsContact O-CD2 3.29Å; M31-F35 WeakPolarHBondContact O-CD2 3.35Å; M31-F35 PolarHBondContact O-N 3.2Å; M31-F35 HydrophobicContact SD-CE2 4.49Å; V32-F35 PolarHBondContact O-N 2.67Å; F35-K37 VanDerWaalsContact C-N 3.34Å; F35-D38 PolarHBondContact O-N 3.01Å; F35-V44 HydrophobicContact CD1-CB 3.61Å; F35-V44 HydrophobicContact CD1-CG1 3.96Å; F35-V44 HydrophobicContact CD1-CG2 4.43Å; F35-V44 HydrophobicContact CE1-CB 3.67Å; F35-V44 HydrophobicContact CE1-CG1 3.88Å; F35-V44 HydrophobicContact CE1-CG2 4.08Å; F35-V44 HydrophobicContact CZ-CG1 4.47Å; F35-V46 HydrophobicContact CB-CG2 3.63Å; F35-V46 HydrophobicContact CD1-CG2 4.43Å; F35-V46 HydrophobicContact CD2-CG2 3.42Å; F35-V46 VanDerWaalsContact CD2-CG2 3.42Å; F35-V46 HydrophobicContact CE2-CG2 4.15Å; F35-V46 HydrophobicContact CG-CG2 3.58Å; F35-R164 HydrophobicContact CE1-CG 4.17Å; F35-R164 HydrophobicContact CE2-CB 4.48Å; F35-R164 HydrophobicContact CE2-CG 4.03Å; F35-R164 HydrophobicContact CZ-CB 4.45Å; F35-R164 HydrophobicContact CZ-CG 3.66Å; F35-L167 HydrophobicContact CE2-CB 4.18Å; F35-L167 HydrophobicContact CE2-CD1 3.71Å; F35-L167 HydrophobicContact CZ-CB 4.06Å; F35-L167 HydrophobicContact CZ-CD1 4.44Å; F35-I168 HydrophobicContact CE1-CD1 4.32Å; F35-I168 HydrophobicContact CE1-CG1 4.07Å; F35-I168 HydrophobicContact CZ-CG1 4.1Å
36E86.8Confident82.5Confident129 Ų12985.7 Ų85.760%0.60341%0.405SS*.Hα-helixtrans-69.3-33.5173.7-79.2-176.7172.200112.6V32 D38V32-E36 HydrophobicContact CG1-CG 4.12Å; V32-E36 WeakPolarHBondContact CG1-OE1 3.38Å; V32-E36 WeakPolarHBondContact O-CB 3.44Å; V32-E36 WeakPolarHBondContact O-CG 3.38Å; V32-E36 PolarHBondContact O-N 3.36Å; E36-D38 VanDerWaalsContact C-N 3.33Å
37K85Confident82.3Confident167 Ų16783.9 Ų83.973%0.72640%0.4SS*.SBendtrans-86.1-3.8176.8-67.4174.3-176.1177.10113.7D33 I34 F35 D39D33-K37 WeakPolarHBondContact O-CB 3.41Å; D33-K37 WeakPolarHBondContact O-CD 3.29Å; D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.21Å; D33-K37 PolarHBondContact O-N 3.25Å; I34-K37 PolarHBondContact O-N 2.93Å; F35-K37 VanDerWaalsContact C-N 3.34Å; K37-D39 PolarHBondContact O-N 3.12Å
38D78.2Confident82.1Confident31 Ų3187.1 Ų87.117%0.16642%0.415CS..  trans-82.9105.2-179.3-163.8-21.9000109.9I34 F35 E36 S40 R164I34-D38 PolarHBondContact O-N 3.11Å; F35-D38 PolarHBondContact O-N 3.01Å; E36-D38 VanDerWaalsContact C-N 3.33Å; D38-S40 VanDerWaalsContact C-N 3.26Å; D38-S40 VanDerWaalsContact CG-OG 3.32Å; D38-S40 PolarHBondContact O-N 2.94Å; D38-S40 WeakPolarHBondContact OD1-CB 3.03Å; D38-S40 PolarHBondContact OD1-N 3.46Å; D38-S40 PolarHBondContact OD1-OG 3.41Å; D38-R164 IonicContact OD2-CZ 3.26Å; D38-R164 VanDerWaalsContact OD2-CZ 3.26Å; D38-R164 IonicContact OD2-NE 3.01Å; D38-R164 PolarHBondContact OD2-NE 3.42Å; D38-R164 IonicContact OD2-NH2 2.67Å; D38-R164 PolarHBondContact OD2-NH2 3.04Å
39D70.8Confident81.8Confident157 Ų15790 Ų9084%0.8443%0.432SS*.  trans-84.77.3177.5-71-36.9000113.1K37K37-D39 PolarHBondContact O-N 3.12Å
40S65.6Low81.5Confident55 Ų5583.4 Ų83.439%0.38541%0.409SS..SBendtrans-64153.3177.1640000112.3D38 E42D38-S40 VanDerWaalsContact C-N 3.26Å; D38-S40 VanDerWaalsContact CG-OG 3.32Å; D38-S40 PolarHBondContact O-N 2.94Å; D38-S40 WeakPolarHBondContact OD1-CB 3.03Å; D38-S40 PolarHBondContact OD1-N 3.46Å; D38-S40 PolarHBondContact OD1-OG 3.41Å; S40-E42 PolarHBondContact O-N 2.97Å
41I53.4Low80.9Confident179 Ų17985.3 Ų85.392%0.91842%0.415SS*.SBendtrans-55.6-27.8-170.1-69.7158000113K43I41-K43 PolarHBondContact O-N 3.48Å
42E63.2Low80.2Confident119 Ų11990.3 Ų90.356%0.55644%0.442SS*.SBendtrans-9876.2176.2-64.1-170.7171.600110.6S40 V44S40-E42 PolarHBondContact O-N 2.97Å; E42-V44 PolarHBondContact O-N 3.41Å
43K73.3Confident79.5Confident156 Ų15694.5 Ų94.568%0.67846%0.463SS*.  trans-63.697.8177.1-170.9168.5-172.6160.90110.7I41 R45I41-K43 PolarHBondContact O-N 3.48Å; K43-R45 PolarHBondContact O-N 2.87Å
44V82Confident78.8Confident29 Ų2994.4 Ų94.418%0.17646%0.462CS..PPolyproline II helixtrans-77.9119.8172.1174.40000108.6F35 E42 V46 F171F35-V44 HydrophobicContact CD1-CB 3.61Å; F35-V44 HydrophobicContact CD1-CG1 3.96Å; F35-V44 HydrophobicContact CD1-CG2 4.43Å; F35-V44 HydrophobicContact CE1-CB 3.67Å; F35-V44 HydrophobicContact CE1-CG1 3.88Å; F35-V44 HydrophobicContact CE1-CG2 4.08Å; F35-V44 HydrophobicContact CZ-CG1 4.47Å; E42-V44 PolarHBondContact O-N 3.41Å; V44-V46 HydrophobicContact CG1-CG2 4.38Å; V44-F171 HydrophobicContact CG1-CE2 3.92Å; V44-F171 HydrophobicContact CG1-CZ 4.05Å; V44-F171 HydrophobicContact CG2-CE2 4.28Å
45R84.5Confident78.1Confident206 Ų20693.8 Ų93.878%0.77746%0.459SS*.PPolyproline II helixtrans-87.9119.3172.2-174.3179.6-179.3-174.40.6109.9K43K43-R45 PolarHBondContact O-N 2.87Å
46V87.8Confident77.2Confident44 Ų44102.2 Ų102.227%0.26750%0.499SS..PPolyproline II helixtrans-93.9130.3175.3-176.70000109.9V32 F35 V44V32-V46 HydrophobicContact CG2-CB 4.08Å; V32-V46 HydrophobicContact CG2-CG1 3.7Å; F35-V46 HydrophobicContact CB-CG2 3.63Å; F35-V46 HydrophobicContact CD1-CG2 4.43Å; F35-V46 HydrophobicContact CD2-CG2 3.42Å; F35-V46 VanDerWaalsContact CD2-CG2 3.42Å; F35-V46 HydrophobicContact CE2-CG2 4.15Å; F35-V46 HydrophobicContact CG-CG2 3.58Å; V44-V46 HydrophobicContact CG1-CG2 4.38Å
47I85.3Confident76.5Confident89 Ų8998.8 Ų98.846%0.45648%0.484SS..  trans-119.4114173.2-60.3174.1000107.4V49 F75I47-V49 HydrophobicContact CG2-CG2 4.26Å; I47-F75 HydrophobicContact CD1-CE1 4.47Å; I47-F75 HydrophobicContact CD1-CE2 4.03Å; I47-F75 HydrophobicContact CD1-CZ 3.76Å
48H88.3Confident75.7Confident69 Ų6999.8 Ų99.832%0.31948%0.484SS..  trans-86.8120.5175.2173.2-128.8000110.4C28 V32C28-H48 HydrophobicContact CB-CB 4.38Å; C28-H48 WeakPolarHBondContact CB-CD2 3.49Å; C28-H48 PolarHBondContact SG-CD2 2.82Å; V32-H48 HydrophobicContact CG2-CB 4.41Å
49V84.1Confident75.3Confident77 Ų77107.1 Ų107.147%0.46751%0.509SS..  trans-108.5104.8175.2-176.10000108.5I47 I54I47-V49 HydrophobicContact CG2-CG2 4.26Å; V49-I54 HydrophobicContact CG1-CD1 3.49Å; V49-I54 VanDerWaalsContact CG1-CD1 3.49Å
50C84.2Confident75.3Confident17 Ų17104.4 Ų104.412%0.11549%0.491CS..  trans-91.5115.1178.7-170.60000110.2D52 D53 I54C50-D52 VanDerWaalsContact C-N 3.27Å; C50-D52 PolarHBondContact O-N 2.83Å; C50-D53 HydrophobicContact CB-CB 4.04Å; C50-D53 WeakPolarHBondContact CB-OD2 3.39Å; C50-D53 PolarHBondContact O-N 2.76Å; C50-I54 WeakPolarHBondContact O-CG1 3.42Å; C50-I54 PolarHBondContact O-N 2.9Å
51Y78Confident75.6Confident113 Ų113107.1 Ų107.144%0.44350%0.498SS..Hα-helixtrans-60.7-36.1179.1-80.9-86.5000113D53 I54 I55 I68Y51-D53 PolarHBondContact O-N 3.2Å; Y51-I54 PolarHBondContact O-N 3.42Å; Y51-I55 HydrophobicContact CD1-CD1 3.9Å; Y51-I55 WeakPolarHBondContact O-CB 3.15Å; Y51-I55 PolarHBondContact O-N 2.84Å; Y51-I68 HydrophobicContact CD1-CD1 3.68Å; Y51-I68 HydrophobicContact CE1-CD1 3.41Å; Y51-I68 VanDerWaalsContact CE1-CD1 3.41Å
52D75.4Confident76.6Confident111 Ų111108.9 Ų108.959%0.59449%0.493SS*.Hα-helixtrans-66.6-26.4-179.8-59.5-21.2000111.9C50C50-D52 VanDerWaalsContact C-N 3.27Å; C50-D52 PolarHBondContact O-N 2.83Å
53D77.5Confident77.2Confident115 Ų115107.8 Ų107.862%0.61549%0.491SS*.Hα-helixtrans-81.8-27178.6-61.4-21.3000111.9C50 Y51C50-D53 HydrophobicContact CB-CB 4.04Å; C50-D53 WeakPolarHBondContact CB-OD2 3.39Å; C50-D53 PolarHBondContact O-N 2.76Å; Y51-D53 PolarHBondContact O-N 3.2Å
54I74.3Confident77.3Confident71 Ų71101 Ų10136%0.36446%0.463SS..Hα-helixtrans-90.3-45.6-178.7-56.1172.4000110.8V49 C50 Y51 Q56 V64 I68V49-I54 HydrophobicContact CG1-CD1 3.49Å; V49-I54 VanDerWaalsContact CG1-CD1 3.49Å; C50-I54 WeakPolarHBondContact O-CG1 3.42Å; C50-I54 PolarHBondContact O-N 2.9Å; Y51-I54 PolarHBondContact O-N 3.42Å; I54-Q56 PolarHBondContact O-N 2.7Å; I54-Q56 VanDerWaalsContact O-N 3.15Å; I54-V64 HydrophobicContact CB-CG1 4.46Å; I54-V64 HydrophobicContact CG2-CG1 3.52Å; I54-I68 HydrophobicContact CD1-CD1 4.25Å; I54-I68 HydrophobicContact CD1-CG1 4.38Å; I54-I68 HydrophobicContact CG2-CD1 4.38Å
55I73.4Confident77.1Confident31 Ų31107.9 Ų107.916%0.15949%0.486CS..  trans-87.284.7-179.6-56.3163.6000108.7Y51 Q61 V64Y51-I55 HydrophobicContact CD1-CD1 3.9Å; Y51-I55 WeakPolarHBondContact O-CB 3.15Å; Y51-I55 PolarHBondContact O-N 2.84Å; I55-Q61 HydrophobicContact CD1-CG 3.97Å; I55-Q61 HydrophobicContact CG2-CB 4.42Å; I55-V64 HydrophobicContact CD1-CG1 4.38Å; I55-V64 HydrophobicContact CG1-CB 4.01Å; I55-V64 HydrophobicContact CG1-CG1 3.47Å; I55-V64 VanDerWaalsContact CG1-CG1 3.47Å; I55-V64 HydrophobicContact CG1-CG2 4.4Å
56Q69.4Low76.8Confident181 Ų181104.4 Ų104.485%0.84648%0.476SS*.SBendtrans-75.6-29.7174.3-62.1-177.12.700112.1I54I54-Q56 PolarHBondContact O-N 2.7Å; I54-Q56 VanDerWaalsContact O-N 3.15Å
57N72.4Confident76.2Confident57 Ų57108.1 Ų108.131%0.30549%0.49SS..  trans-123.5110.8176.5-176.62000110.4R59 E60N57-R59 PolarHBondContact O-N 2.84Å; N57-R59 VanDerWaalsContact O-N 3.09Å; N57-R59 WeakPolarHBondContact OD1-CB 3.32Å; N57-R59 PolarHBondContact OD1-N 3.44Å; N57-R59 VanDerWaalsContact OD1-N 3.12Å; N57-E60 HydrophobicContact CB-CG 4.47Å; N57-E60 PolarHBondContact ND2-OE1 3.34Å; N57-E60 PolarHBondContact O-N 3.47Å
58W68.3Low75.9Confident188 Ų188104.8 Ų104.871%0.71247%0.473SS*.G310 helixtrans-62-20.6-178.865.8-95.7000113.5E60 Q61W58-E60 PolarHBondContact O-N 3.36Å; W58-Q61 VanDerWaalsContact O-CB 3.23Å; W58-Q61 WeakPolarHBondContact O-CB 3.33Å; W58-Q61 PolarHBondContact O-N 3.16Å
59R69.3Low75.4Confident185 Ų185105.5 Ų105.570%0.69848%0.479SS*.G310 helixtrans-65.7-25.7175-63.4-178.2176.5-179.3-0.3112.3N57N57-R59 PolarHBondContact O-N 2.84Å; N57-R59 VanDerWaalsContact O-N 3.09Å; N57-R59 WeakPolarHBondContact OD1-CB 3.32Å; N57-R59 PolarHBondContact OD1-N 3.44Å; N57-R59 VanDerWaalsContact OD1-N 3.12Å
60E71.3Confident75.1Confident100 Ų100107.3 Ų107.347%0.46748%0.483SS..G310 helixtrans-94.14.2179.9-68.3161.4-147.700112.5N57 W58 R62 D63 V64N57-E60 HydrophobicContact CB-CG 4.47Å; N57-E60 PolarHBondContact ND2-OE1 3.34Å; N57-E60 PolarHBondContact O-N 3.47Å; W58-E60 PolarHBondContact O-N 3.36Å; E60-R62 PolarHBondContact O-N 3.47Å; E60-D63 PolarHBondContact O-N 2.99Å; E60-V64 HydrophobicContact CB-CG2 4.34Å; E60-V64 WeakPolarHBondContact O-CG2 3.36Å; E60-V64 PolarHBondContact O-N 3.39Å
61Q71.8Confident74.6Confident113 Ų113110.1 Ų110.153%0.52850%0.502SS..Hα-helixtrans-54.3-30.3-174.6-177178.338.800113.4I55 W58 R65I55-Q61 HydrophobicContact CD1-CG 3.97Å; I55-Q61 HydrophobicContact CG2-CB 4.42Å; W58-Q61 VanDerWaalsContact O-CB 3.23Å; W58-Q61 WeakPolarHBondContact O-CB 3.33Å; W58-Q61 PolarHBondContact O-N 3.16Å; Q61-R65 WeakPolarHBondContact O-CB 3.5Å; Q61-R65 PolarHBondContact O-N 3.05Å
62R74.9Confident74.6Confident216 Ų216107.2 Ų107.282%0.81550%0.495SS*.Hα-helixtrans-66-42.8176.3-72.9-174.1178.1-177.41.2112.4E60 K66E60-R62 PolarHBondContact O-N 3.47Å; R62-K66 PolarHBondContact O-N 3.17Å
63D75.4Confident74.6Confident95 Ų95109.2 Ų109.251%0.50850%0.495SS..Hα-helixtrans-78.2-40.1-178.6-63.9-40.1000110.4E60 R65 K66 E67E60-D63 PolarHBondContact O-N 2.99Å; D63-R65 VanDerWaalsContact C-N 3.28Å; D63-R65 PolarHBondContact O-N 3.34Å; D63-K66 WeakPolarHBondContact O-CB 3.26Å; D63-K66 PolarHBondContact O-N 2.93Å; D63-K66 IonicContact OD1-NZ 3.4Å; D63-K66 PolarHBondContact OD1-NZ 2.97Å; D63-E67 PolarHBondContact O-N 3.48Å
64V74.6Confident74.6Confident14 Ų14111.6 Ų111.69%0.08550%0.496CS..Hα-helixtrans-59.3-39.3170.9179.50000111.4I54 I55 E60 K66 E67 I68I54-V64 HydrophobicContact CB-CG1 4.46Å; I54-V64 HydrophobicContact CG2-CG1 3.52Å; I55-V64 HydrophobicContact CD1-CG1 4.38Å; I55-V64 HydrophobicContact CG1-CB 4.01Å; I55-V64 HydrophobicContact CG1-CG1 3.47Å; I55-V64 VanDerWaalsContact CG1-CG1 3.47Å; I55-V64 HydrophobicContact CG1-CG2 4.4Å; E60-V64 HydrophobicContact CB-CG2 4.34Å; E60-V64 WeakPolarHBondContact O-CG2 3.36Å; E60-V64 PolarHBondContact O-N 3.39Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 3.4Å; V64-E67 PolarHBondContact O-N 3.32Å; V64-I68 HydrophobicContact CG1-CD1 3.86Å; V64-I68 HydrophobicContact CG1-CG1 4.26Å; V64-I68 VanDerWaalsContact O-CG1 3.3Å; V64-I68 WeakPolarHBondContact O-CG1 3.2Å; V64-I68 PolarHBondContact O-N 3.26Å
65R78.2Confident74.6Confident174 Ų174112.7 Ų112.766%0.65750%0.498SS*.Hα-helixtrans-63-39.6175.1-178.7177.9178.1177.31111.9Q61 D63 E67 L69Q61-R65 WeakPolarHBondContact O-CB 3.5Å; Q61-R65 PolarHBondContact O-N 3.05Å; D63-R65 VanDerWaalsContact C-N 3.28Å; D63-R65 PolarHBondContact O-N 3.34Å; R65-E67 VanDerWaalsContact C-N 3.35Å; R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CB 3.15Å; R65-L69 VanDerWaalsContact O-CG 3.23Å; R65-L69 WeakPolarHBondContact O-CG 3.27Å; R65-L69 PolarHBondContact O-N 3.26Å
66K77.8Confident74.6Confident132 Ų132112.3 Ų112.357%0.57450%0.498SS*.Hα-helixtrans-63.2-45174.7-71.3173.4-174.5162.30110.4R62 D63 V64 L69 E70R62-K66 PolarHBondContact O-N 3.17Å; D63-K66 WeakPolarHBondContact O-CB 3.26Å; D63-K66 PolarHBondContact O-N 2.93Å; D63-K66 IonicContact OD1-NZ 3.4Å; D63-K66 PolarHBondContact OD1-NZ 2.97Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 3.4Å; K66-L69 WeakPolarHBondContact O-CB 3.35Å; K66-L69 PolarHBondContact O-N 3.28Å; K66-E70 WeakPolarHBondContact O-CG 3.29Å; K66-E70 PolarHBondContact O-N 2.97Å
67E76.5Confident74.8Confident122 Ų122107.2 Ų107.257%0.5748%0.482SS*.Hα-helixtrans-61.6-45.7178.5-171.3175.5-174.200112.1D63 V64 R65 L69 E70 C71D63-E67 PolarHBondContact O-N 3.48Å; V64-E67 PolarHBondContact O-N 3.32Å; R65-E67 VanDerWaalsContact C-N 3.35Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.09Å; E67-E70 PolarHBondContact O-N 3.49Å; E67-C71 WeakPolarHBondContact O-CB 3.48Å; E67-C71 PolarHBondContact O-N 3.17Å; E67-C71 PolarHBondContact O-SG 3.49Å; E67-C71 VanDerWaalsContact O-SG 3.37Å
68I78.5Confident74.8Confident20 Ų20106.8 Ų106.810%0.10348%0.484CS..Hα-helixtrans-58.4-43.7174-69.6170.9000110.7Y51 I54 V64 C71 V72Y51-I68 HydrophobicContact CD1-CD1 3.68Å; Y51-I68 HydrophobicContact CE1-CD1 3.41Å; Y51-I68 VanDerWaalsContact CE1-CD1 3.41Å; I54-I68 HydrophobicContact CD1-CD1 4.25Å; I54-I68 HydrophobicContact CD1-CG1 4.38Å; I54-I68 HydrophobicContact CG2-CD1 4.38Å; V64-I68 HydrophobicContact CG1-CD1 3.86Å; V64-I68 HydrophobicContact CG1-CG1 4.26Å; V64-I68 VanDerWaalsContact O-CG1 3.3Å; V64-I68 WeakPolarHBondContact O-CG1 3.2Å; V64-I68 PolarHBondContact O-N 3.26Å; I68-C71 PolarHBondContact O-N 3.31Å; I68-V72 VanDerWaalsContact O-CG2 3.3Å; I68-V72 WeakPolarHBondContact O-CG2 3.49Å; I68-V72 PolarHBondContact O-N 2.98Å
69L78.1Confident74.9Confident83 Ų8398.9 Ų98.944%0.43546%0.459SS..Hα-helixtrans-64.6-40.1177.7-73.2171.7000112.1R65 K66 E67 V72 R73R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CB 3.15Å; R65-L69 VanDerWaalsContact O-CG 3.23Å; R65-L69 WeakPolarHBondContact O-CG 3.27Å; R65-L69 PolarHBondContact O-N 3.26Å; K66-L69 WeakPolarHBondContact O-CB 3.35Å; K66-L69 PolarHBondContact O-N 3.28Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.09Å; L69-V72 PolarHBondContact O-N 3.32Å; L69-R73 VanDerWaalsContact O-CG 3.3Å; L69-R73 WeakPolarHBondContact O-CG 3.44Å; L69-R73 PolarHBondContact O-N 2.92Å
70E77.5Confident74.6Confident116 Ų11691.1 Ų91.154%0.54243%0.43SS..Hα-helixtrans-66.4-41.6174.9-71.9-52.4133.400111.9K66 E67 V72 R73 Y74K66-E70 WeakPolarHBondContact O-CG 3.29Å; K66-E70 PolarHBondContact O-N 2.97Å; E67-E70 PolarHBondContact O-N 3.49Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 3.36Å; E70-R73 WeakPolarHBondContact O-CB 3.27Å; E70-R73 PolarHBondContact O-N 2.9Å; E70-R73 IonicContact OE1-NE 3.55Å; E70-Y74 WeakPolarHBondContact O-CB 3.48Å; E70-Y74 PolarHBondContact O-N 2.89Å
71C74.1Confident74.2Confident76 Ų7689.7 Ų89.751%0.51444%0.435SS..Hα-helixtrans-58.8-43.8172.4-74.80000111.8E67 I68 Y74 F75E67-C71 WeakPolarHBondContact O-CB 3.48Å; E67-C71 PolarHBondContact O-N 3.17Å; E67-C71 PolarHBondContact O-SG 3.49Å; E67-C71 VanDerWaalsContact O-SG 3.37Å; I68-C71 PolarHBondContact O-N 3.31Å; C71-Y74 PolarHBondContact O-N 3.2Å; C71-F75 WeakPolarHBondContact O-CB 3.49Å; C71-F75 PolarHBondContact O-N 3.32Å
72V77.4Confident73.5Confident52 Ų5290.8 Ų90.832%0.31544%0.444SS..Hα-helixtrans-63-46.3174.6169.60000110.7I13 I68 L69 E70 Y74 F75 C76I13-V72 HydrophobicContact CD1-CG1 3.49Å; I13-V72 VanDerWaalsContact CD1-CG1 3.49Å; I68-V72 VanDerWaalsContact O-CG2 3.3Å; I68-V72 WeakPolarHBondContact O-CG2 3.49Å; I68-V72 PolarHBondContact O-N 2.98Å; L69-V72 PolarHBondContact O-N 3.32Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 3.36Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 2.91Å; V72-F75 PolarHBondContact O-N 3.33Å; V72-C76 WeakPolarHBondContact O-CB 3.37Å; V72-C76 PolarHBondContact O-N 3.29Å; V72-C76 PolarHBondContact O-SG 2.82Å
73R76.3Confident72.6Confident153 Ų15384.1 Ų84.158%0.57742%0.419SS*.Hα-helixtrans-59.4-42.8176.8-75.1176.8-169.4-78.2-1.5112.2L69 E70 C76 S77L69-R73 VanDerWaalsContact O-CG 3.3Å; L69-R73 WeakPolarHBondContact O-CG 3.44Å; L69-R73 PolarHBondContact O-N 2.92Å; E70-R73 WeakPolarHBondContact O-CB 3.27Å; E70-R73 PolarHBondContact O-N 2.9Å; E70-R73 IonicContact OE1-NE 3.55Å; R73-C76 WeakPolarHBondContact O-CB 3.46Å; R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 2.81Å; R73-S77 PolarHBondContact O-OG 3.09Å
74Y76.3Confident71.7Confident165 Ų16582.2 Ų82.265%0.64741%0.413SS*.Hα-helixtrans-62.7-47.9176.1177.2-98.1000110.8E70 C71 V72 C76 S77 S78E70-Y74 WeakPolarHBondContact O-CB 3.48Å; E70-Y74 PolarHBondContact O-N 2.89Å; C71-Y74 PolarHBondContact O-N 3.2Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 2.91Å; Y74-C76 PolarHBondContact O-N 2.93Å; Y74-S77 PolarHBondContact O-N 3.42Å; Y74-S77 VanDerWaalsContact O-N 3.12Å; Y74-S78 WeakPolarHBondContact O-CB 3.32Å; Y74-S78 PolarHBondContact O-N 2.88Å; Y74-S78 PolarHBondContact O-OG 3.45Å; Y74-S78 VanDerWaalsContact O-OG 3.09Å
75F74.6Confident70.8Confident93 Ų9386.4 Ų86.441%0.40844%0.441SS..Hα-helixtrans-62.7-42.5178.9-165.2-110.4000112L11 I47 C71 V72 S77 S78 A79L11-F75 HydrophobicContact CD1-CD1 3.62Å; L11-F75 HydrophobicContact CD1-CE1 3.45Å; L11-F75 VanDerWaalsContact CD1-CE1 3.45Å; L11-F75 HydrophobicContact CD2-CD1 3.7Å; L11-F75 HydrophobicContact CD2-CE1 4.3Å; L11-F75 HydrophobicContact CG-CD1 4.28Å; L11-F75 HydrophobicContact CG-CE1 4.43Å; I47-F75 HydrophobicContact CD1-CE1 4.47Å; I47-F75 HydrophobicContact CD1-CE2 4.03Å; I47-F75 HydrophobicContact CD1-CZ 3.76Å; C71-F75 WeakPolarHBondContact O-CB 3.49Å; C71-F75 PolarHBondContact O-N 3.32Å; V72-F75 PolarHBondContact O-N 3.33Å; F75-S77 VanDerWaalsContact C-N 3.34Å; F75-S77 PolarHBondContact O-N 3.42Å; F75-S78 PolarHBondContact O-N 3.25Å; F75-A79 WeakPolarHBondContact O-CB 3.2Å; F75-A79 PolarHBondContact O-N 3.09Å
76C74.7Confident69.7Low23 Ų2386 Ų8616%0.15545%0.446CS..Hα-helixtrans-55-50.5171-68.40000110.7L11 V72 R73 Y74 S78 A79 Y80 V95L11-C76 HydrophobicContact CD2-CB 4.22Å; L11-C76 WeakPolarHBondContact CD2-SG 3.21Å; V72-C76 WeakPolarHBondContact O-CB 3.37Å; V72-C76 PolarHBondContact O-N 3.29Å; V72-C76 PolarHBondContact O-SG 2.82Å; R73-C76 WeakPolarHBondContact O-CB 3.46Å; Y74-C76 PolarHBondContact O-N 2.93Å; C76-S78 PolarHBondContact O-N 3.2Å; C76-A79 PolarHBondContact O-N 3.42Å; C76-Y80 WeakPolarHBondContact O-CD2 3.4Å; C76-Y80 WeakPolarHBondContact O-CE2 3.4Å; C76-V95 HydrophobicContact CB-CG2 4.41Å; C76-V95 VanDerWaalsContact SG-CG2 3.59Å
77S73.7Confident68.3Low74 Ų7487.3 Ų87.352%0.51745%0.448SS..Hα-helixtrans-63.5-43.6-177.5-57.50000112.1R73 Y74 F75 Y80 A81R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 2.81Å; R73-S77 PolarHBondContact O-OG 3.09Å; Y74-S77 PolarHBondContact O-N 3.42Å; Y74-S77 VanDerWaalsContact O-N 3.12Å; F75-S77 VanDerWaalsContact C-N 3.34Å; F75-S77 PolarHBondContact O-N 3.42Å; S77-Y80 PolarHBondContact O-N 3.25Å; S77-A81 PolarHBondContact O-N 3.26Å
78S72.3Confident67.2Low49 Ų4986.5 Ų86.534%0.34344%0.444SS..Hα-helixtrans-66.1-36.4179.5-63.90000112.9Y74 F75 C76 Y80 A81Y74-S78 WeakPolarHBondContact O-CB 3.32Å; Y74-S78 PolarHBondContact O-N 2.88Å; Y74-S78 PolarHBondContact O-OG 3.45Å; Y74-S78 VanDerWaalsContact O-OG 3.09Å; F75-S78 PolarHBondContact O-N 3.25Å; C76-S78 PolarHBondContact O-N 3.2Å; S78-Y80 PolarHBondContact O-N 2.84Å; S78-Y80 VanDerWaalsContact O-N 3.1Å; S78-A81 PolarHBondContact O-N 3.5Å
79A69.2Low65.7Low21 Ų2192.8 Ų92.817%0.17448%0.478CS..Hα-helixtrans-61.3-20.5176.500000113.5R10 F75 C76R10-A79 PolarHBondContact NH1-O 2.85Å; R10-A79 VanDerWaalsContact NH1-O 3.12Å; F75-A79 WeakPolarHBondContact O-CB 3.2Å; F75-A79 PolarHBondContact O-N 3.09Å; C76-A79 PolarHBondContact O-N 3.42Å
80Y64.4Low64.2Low23 Ų2395.3 Ų95.39%0.0949%0.49CS..Hα-helixtrans-106.5-14.1179.3-60.9-66.7000114.7C76 S77 S78 D82 K93 K94C76-Y80 WeakPolarHBondContact O-CD2 3.4Å; C76-Y80 WeakPolarHBondContact O-CE2 3.4Å; S77-Y80 PolarHBondContact O-N 3.25Å; S78-Y80 PolarHBondContact O-N 2.84Å; S78-Y80 VanDerWaalsContact O-N 3.1Å; Y80-D82 VanDerWaalsContact C-N 3.28Å; Y80-D82 PolarHBondContact O-N 2.91Å; Y80-K93 HydrophobicContact CD2-CB 4.18Å; Y80-K93 HydrophobicContact CD2-CG 3.99Å; Y80-K93 HydrophobicContact CE2-CB 4.08Å; Y80-K93 HydrophobicContact CE2-CG 4.39Å; Y80-K93 HydrophobicContact CG-CG 4.15Å; Y80-K94 PolarHBondContact OH-O 3Å
81A62.2Low62.8Low69 Ų6991.8 Ų91.857%0.5748%0.476SS*.Hα-helixtrans-67-27.8-179.200000113.1S77 S78 R83S77-A81 PolarHBondContact O-N 3.26Å; S78-A81 PolarHBondContact O-N 3.5Å; A81-R83 PolarHBondContact O-N 3.38Å
82D57.4Low61.6Low137 Ų13790.1 Ų90.173%0.73347%0.466SS*.SBendtrans-80.640.4-173.8-160.523.1000114.2Y80Y80-D82 VanDerWaalsContact C-N 3.28Å; Y80-D82 PolarHBondContact O-N 2.91Å
83R55.8Low60.7Low75 Ų7595.7 Ų95.728%0.28349%0.486SS..SBendtrans-126.5142.2174.8-75.7-167.1177.2-138.21.8111A81 R87 Q88A81-R83 PolarHBondContact O-N 3.38Å; R83-R87 HydrophobicContact CB-CB 4.17Å; R83-R87 HydrophobicContact CG-CB 4.39Å; R83-Q88 HydrophobicContact CB-CG 4.08Å; R83-Q88 PolarHBondContact O-NE2 3.13Å
84S56.2Low60.5Low56 Ų5692.9 Ų92.939%0.39248%0.478SS..  trans-51.5146.8166.160.60000110.2E86 R87 Q88S84-E86 PolarHBondContact O-N 3.43Å; S84-R87 PolarHBondContact O-N 2.96Å; S84-Q88 PolarHBondContact O-N 2.85Å
85P56Low60.7Low102 Ų10286.4 Ų86.466%0.66246%0.455SS*.Hα-helixtrans-50-35-179-26.632.9000113.1R87 Q88P85-R87 VanDerWaalsContact C-N 3.32Å; P85-R87 PolarHBondContact O-N 3.17Å; P85-Q88 PolarHBondContact O-N 3.45Å
86E54Low61.2Low164 Ų16482 Ų8277%0.76644%0.436SS*.Hα-helixtrans-63-32.3178.3-65.3166.7176.400113.4S84S84-E86 PolarHBondContact O-N 3.43Å
87R49.9Very low61.8Low160 Ų16082.8 Ų82.860%0.60444%0.437SS*.Hα-helixtrans-95.7-9179.7-66.7-172.1175.8-165.4-0.7113.9R83 S84 P85 N89R83-R87 HydrophobicContact CB-CB 4.17Å; R83-R87 HydrophobicContact CG-CB 4.39Å; S84-R87 PolarHBondContact O-N 2.96Å; P85-R87 VanDerWaalsContact C-N 3.32Å; P85-R87 PolarHBondContact O-N 3.17Å; R87-N89 VanDerWaalsContact C-N 3.28Å; R87-N89 PolarHBondContact O-N 3Å
88Q51.6Low62.5Low106 Ų10679.2 Ų79.250%0.49541%0.412SS..Hα-helixtrans-68.3-28.2177.8-72-178.511.700112.3R83 S84 P85R83-Q88 HydrophobicContact CB-CG 4.08Å; R83-Q88 PolarHBondContact O-NE2 3.13Å; S84-Q88 PolarHBondContact O-N 2.85Å; P85-Q88 PolarHBondContact O-N 3.45Å
89N48.1Very low63.5Low152 Ų15277.1 Ų77.181%0.81340%0.397SS*.THydrogen-bonded Turntrans-82.9-13.9-176.1-72.9-23.9000115R87R87-N89 VanDerWaalsContact C-N 3.28Å; R87-N89 PolarHBondContact O-N 3Å
90I46.4Very low64.6Low136 Ų13676.2 Ų76.270%0.69739%0.389SS*.THydrogen-bonded Turntrans-102.8-26.2-169.8-58.3177.2000112.7
91V47.3Very low65.9Low41 Ų4175.1 Ų75.125%0.24839%0.385CS..SBendtrans-96.7110.4-178.3-177.40000110.1K93V91-K93 PolarHBondContact O-N 3.35Å
92S50.2Low67.3Low41 Ų4172.1 Ų72.129%0.28736%0.359SS..  trans-49.8127.4167.8600000109.5K94S92-K94 PolarHBondContact O-N 3.29Å; S92-K94 WeakPolarHBondContact OG-CD 3.34Å; S92-K94 WeakPolarHBondContact OG-CE 3.26Å; S92-K94 VanDerWaalsContact OG-CG 3.28Å; S92-K94 WeakPolarHBondContact OG-CG 3.47Å
93K58.6Low68.9Low169 Ų16969 Ų6974%0.73534%0.34SS*.  trans-66.756173.7-65.8-178.4178.41790111.1Y80 V91Y80-K93 HydrophobicContact CD2-CB 4.18Å; Y80-K93 HydrophobicContact CD2-CG 3.99Å; Y80-K93 HydrophobicContact CE2-CB 4.08Å; Y80-K93 HydrophobicContact CE2-CG 4.39Å; Y80-K93 HydrophobicContact CG-CG 4.15Å; V91-K93 PolarHBondContact O-N 3.35Å
94K71.9Confident70.6Confident95 Ų9566.7 Ų66.741%0.41334%0.335SS..PPolyproline II helixtrans-89.9122.2-176.4-75.3177.7-169.6-176.70107.9C9 Y80 S92 A174C9-K94 WeakPolarHBondContact CB-O 3.44Å; C9-K94 PolarHBondContact SG-O 2.9Å; Y80-K94 PolarHBondContact OH-O 3Å; S92-K94 PolarHBondContact O-N 3.29Å; S92-K94 WeakPolarHBondContact OG-CD 3.34Å; S92-K94 WeakPolarHBondContact OG-CE 3.26Å; S92-K94 VanDerWaalsContact OG-CG 3.28Å; S92-K94 WeakPolarHBondContact OG-CG 3.47Å; K94-A174 HydrophobicContact CB-CB 3.63Å; K94-A174 HydrophobicContact CD-CB 3.38Å; K94-A174 HydrophobicContact CG-CB 3.82Å
95V80.5Confident72.3Confident29 Ų2969.8 Ų69.818%0.17635%0.346CS..PPolyproline II helixtrans-94.4128.9171.71750000106.6C9 L11 I13 C76 C175C9-V95 VanDerWaalsContact SG-C 3.59Å; L11-V95 HydrophobicContact CD2-CG1 4.29Å; L11-V95 HydrophobicContact CD2-CG2 4.23Å; L11-V95 HydrophobicContact CG-CG1 4.03Å; L11-V95 CarbonylContact O-C 3.55Å; L11-V95 WeakPolarHBondContact O-CA 3.43Å; I13-V95 HydrophobicContact CB-CG1 4.48Å; I13-V95 HydrophobicContact CD1-CG1 3.73Å; I13-V95 HydrophobicContact CG1-CG1 3.76Å; C76-V95 HydrophobicContact CB-CG2 4.41Å; C76-V95 VanDerWaalsContact SG-CG2 3.59Å; V95-C175 WeakPolarHBondContact O-CB 3.47Å; V95-C175 PolarHBondContact O-N 3.02Å
96G84.9Confident74.1Confident0 Ų066.8 Ų66.80%033%0.326CS..EExtended strand (participates in β ladder)trans-66.8146.3171.900000109.4C9 L11 A12 I13 C170 E173C9-G96 VanDerWaalsContact CB-N 3.32Å; C9-G96 VanDerWaalsContact SG-CA 3.59Å; C9-G96 PolarHBondContact SG-N 3.43Å; L11-G96 PolarHBondContact O-N 3.07Å; A12-G96 CarbonylContact C-O 3.52Å; A12-G96 VanDerWaalsContact CA-O 3.32Å; A12-G96 WeakPolarHBondContact CA-O 3.47Å; I13-G96 PolarHBondContact N-O 2.65Å; G96-C170 WeakPolarHBondContact CA-O 3.23Å; G96-E173 WeakPolarHBondContact CA-O 3.34Å
97F86.9Confident76Confident39 Ų3963.9 Ų63.917%0.17132%0.316CS..EExtended strand (participates in β ladder)trans-134.8134.3175.2174.5-95.4000110.1I13 L15 Q99 W144 N147 E173 C175I13-F97 WeakPolarHBondContact O-CA 3.4Å; I13-F97 WeakPolarHBondContact O-CD2 3.43Å; L15-F97 HydrophobicContact CB-CE2 4.38Å; L15-F97 HydrophobicContact CB-CZ 4.48Å; F97-Q99 HydrophobicContact CE1-CB 4.42Å; F97-Q99 HydrophobicContact CZ-CB 4.37Å; F97-W144 AromaticContact CE1-CE3 3.78Å; F97-W144 HydrophobicContact CE1-CE3 3.78Å; F97-W144 HydrophobicContact CE1-CZ3 4.35Å; F97-W144 WeakPolarHBondContact CE1-O 3.39Å; F97-W144 AromaticContact CZ-CE3 3.88Å; F97-W144 HydrophobicContact CZ-CE3 3.88Å; F97-W144 HydrophobicContact CZ-CZ3 4.09Å; F97-N147 PolarHBondContact O-ND2 3.4Å; F97-E173 PolarHBondContact N-O 3.33Å; F97-C175 HydrophobicContact CB-CB 3.69Å
98G89.5Confident78.1Confident0 Ų058 Ų580%030%0.298CS..EExtended strand (participates in β ladder)trans-138.7165.5169.400000111.6I13 V14 L15 N147I13-G98 PolarHBondContact O-N 2.88Å; V14-G98 CarbonylContact C-O 3.54Å; V14-G98 VanDerWaalsContact CA-O 3.26Å; V14-G98 WeakPolarHBondContact CA-O 3.16Å; L15-G98 PolarHBondContact N-O 3.27Å; G98-N147 CarbonylContact C-O 3.57Å; G98-N147 WeakPolarHBondContact CA-O 3.48Å
99Q91.9Very high80.1Confident5 Ų553 Ų532%0.02327%0.274CS..EExtended strand (participates in β ladder)trans-133.8138.4174.1-179.4170.3-107.100109.6L15 V17 F97 P137 N147 T148 L149 F166L15-Q99 HydrophobicContact CB-CG 4.48Å; L15-Q99 CarbonylContact O-C 3.48Å; L15-Q99 WeakPolarHBondContact O-CA 3.34Å; V17-Q99 HydrophobicContact CG2-CG 4.03Å; F97-Q99 HydrophobicContact CE1-CB 4.42Å; F97-Q99 HydrophobicContact CZ-CB 4.37Å; Q99-P137 HydrophobicContact CG-CG 4.47Å; Q99-N147 PolarHBondContact N-O 2.89Å; Q99-T148 HydrophobicContact CB-CG2 4.34Å; Q99-T148 HydrophobicContact CG-CG2 4.24Å; Q99-T148 PolarHBondContact NE2-OG1 2.81Å; Q99-T148 CarbonylContact O-C 3.6Å; Q99-T148 WeakPolarHBondContact O-CA 3.38Å; Q99-L149 PolarHBondContact O-N 2.85Å; Q99-F166 WeakPolarHBondContact O-CZ 3.3Å
100I92.6Very high82.4Confident2 Ų246.5 Ų46.51%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-119.6113.7173.6-60.1175.6000107.5V14 L15 M16 V17 L27 V102 L149 L151 V163 F166 L167V14-I100 HydrophobicContact CG1-CD1 3.89Å; V14-I100 HydrophobicContact CG1-CG1 3.88Å; L15-I100 PolarHBondContact O-N 3.46Å; M16-I100 HydrophobicContact CE-CB 4.28Å; M16-I100 HydrophobicContact CE-CG2 4.11Å; M16-I100 HydrophobicContact SD-CB 3.62Å; M16-I100 HydrophobicContact SD-CD1 3.77Å; M16-I100 HydrophobicContact SD-CG1 4.12Å; M16-I100 HydrophobicContact SD-CG2 4.1Å; V17-I100 PolarHBondContact N-O 2.95Å; L27-I100 HydrophobicContact CD2-CG2 4.22Å; I100-V102 HydrophobicContact CG2-CG2 4.33Å; I100-L149 CarbonylContact C-O 3.55Å; I100-L149 WeakPolarHBondContact CA-O 3.32Å; I100-L149 HydrophobicContact CG1-CB 4.33Å; I100-L151 HydrophobicContact CG2-CD1 3.37Å; I100-L151 HydrophobicContact CG2-CG 3.93Å; I100-V163 HydrophobicContact CD1-CG1 3.86Å; I100-F166 HydrophobicContact CD1-CD1 4.07Å; I100-F166 HydrophobicContact CD1-CE1 4.17Å; I100-F166 HydrophobicContact CG1-CD1 3.9Å; I100-F166 HydrophobicContact CG1-CE1 3.59Å; I100-L167 HydrophobicContact CD1-CD2 4.02Å
101A92.2Very high84.7Confident0 Ų047.2 Ų47.20%023%0.234CC..EExtended strand (participates in β ladder)trans-96.5110175.800000109.7V17 Q103 M136 P137 T148 L149 L150 L151V17-A101 CarbonylContact O-C 3.59Å; V17-A101 WeakPolarHBondContact O-CA 3.37Å; A101-Q103 PolarHBondContact O-N 3.38Å; A101-M136 HydrophobicContact CB-SD 4.32Å; A101-P137 HydrophobicContact CB-CG 3.91Å; A101-T148 HydrophobicContact CB-CG2 4.21Å; A101-L149 PolarHBondContact N-O 3.35Å; A101-L150 HydrophobicContact CB-CD1 3.84Å; A101-L151 PolarHBondContact O-N 3.26Å
102V91.9Very high86.9Confident6 Ų651.3 Ų51.34%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-8897.3175.6-170.90000108.5M16 V17 A22 K24 L27 I100M16-V102 HydrophobicContact CE-CG2 4.26Å; V17-V102 PolarHBondContact O-N 3.19Å; A22-V102 HydrophobicContact CB-CB 4.3Å; A22-V102 HydrophobicContact CB-CG1 4.04Å; A22-V102 WeakPolarHBondContact O-CG1 3.26Å; K24-V102 HydrophobicContact CG-CB 4.42Å; K24-V102 HydrophobicContact CG-CG2 4.14Å; L27-V102 HydrophobicContact CD2-CG2 4.43Å; I100-V102 HydrophobicContact CG2-CG2 4.33Å
103Q90.3Very high88.9Confident72 Ų7249.6 Ų49.634%0.33623%0.233SC..  trans-76.6129.9175.9-174.4169.42300109.3A101 M136 L150 L151A101-Q103 PolarHBondContact O-N 3.38Å; Q103-M136 HydrophobicContact CB-CE 4.16Å; Q103-M136 HydrophobicContact CG-CE 4.09Å; Q103-L150 HydrophobicContact CB-CD1 4.07Å; Q103-L151 PolarHBondContact N-O 3.27Å
104T90.6Very high90.5Very high26 Ų2643.6 Ų43.616%0.1621%0.214CC..  trans-151.4135.3-179.6-59.80000108.3A22 V108 A109A22-T104 PolarHBondContact O-OG1 3.42Å; T104-V108 HydrophobicContact CG2-CB 3.9Å; T104-V108 HydrophobicContact CG2-CG1 3.81Å; T104-A109 HydrophobicContact CG2-CB 4.16Å
105D92Very high91.4Very high120 Ų12045.5 Ų45.564%0.64223%0.228SC*.  trans-59.9140.7174.3-62.4-45000110.7D107 V108 A109D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 2.87Å; D105-V108 HydrophobicContact CB-CB 4.41Å; D105-V108 HydrophobicContact CB-CG2 4.1Å; D105-V108 WeakPolarHBondContact O-CB 3.27Å; D105-V108 PolarHBondContact O-N 2.83Å; D105-A109 PolarHBondContact O-N 3.38Å
106V94.9Very high91.6Very high40 Ų4046.9 Ų46.924%0.24223%0.23CC..Hα-helixtrans-57.3-40.9-174.1660000111.9L19 V108 A109 V110 I127 F128 A131L19-V106 HydrophobicContact CD1-CB 4.49Å; V106-V108 VanDerWaalsContact C-N 3.31Å; V106-V108 PolarHBondContact O-N 3.18Å; V106-A109 WeakPolarHBondContact O-CB 3.22Å; V106-A109 PolarHBondContact O-N 2.9Å; V106-A109 VanDerWaalsContact O-N 3.15Å; V106-V110 HydrophobicContact CG2-CG2 4.46Å; V106-V110 WeakPolarHBondContact O-CG2 3.39Å; V106-V110 PolarHBondContact O-N 2.58Å; V106-I127 HydrophobicContact CG2-CG2 4.24Å; V106-F128 HydrophobicContact CG1-CE1 4.3Å; V106-F128 HydrophobicContact CG2-CD1 3.59Å; V106-F128 HydrophobicContact CG2-CE1 3.8Å; V106-A131 HydrophobicContact CB-CB 4.05Å; V106-A131 HydrophobicContact CG2-CB 3.67Å
107D94.5Very high91.2Very high102 Ų10253.3 Ų53.355%0.54528%0.275SS..Hα-helixtrans-65-36178.8-58.7-34.5000112.4D105 R111D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 2.87Å; D107-R111 WeakPolarHBondContact O-CB 3.27Å; D107-R111 PolarHBondContact O-N 3.03Å
108V93.4Very high90.4Very high37 Ų3754 Ų5422%0.22429%0.294CS..Hα-helixtrans-69.9-41.2175.6177.60000109.9T104 D105 V106 R111 R112T104-V108 HydrophobicContact CG2-CB 3.9Å; T104-V108 HydrophobicContact CG2-CG1 3.81Å; D105-V108 HydrophobicContact CB-CB 4.41Å; D105-V108 HydrophobicContact CB-CG2 4.1Å; D105-V108 WeakPolarHBondContact O-CB 3.27Å; D105-V108 PolarHBondContact O-N 2.83Å; V106-V108 VanDerWaalsContact C-N 3.31Å; V106-V108 PolarHBondContact O-N 3.18Å; V108-R111 PolarHBondContact O-N 3.38Å; V108-R112 HydrophobicContact CG1-CG 4.41Å; V108-R112 WeakPolarHBondContact O-CB 3.48Å; V108-R112 VanDerWaalsContact O-CG 3.3Å; V108-R112 WeakPolarHBondContact O-CG 3.19Å; V108-R112 PolarHBondContact O-N 2.88Å
109A94.1Very high89.5Confident0 Ų057.4 Ų57.40%033%0.329CS..Hα-helixtrans-62.7-46.8177.400000111.7L19 P20 T104 D105 V106 R112 N113 I127L19-A109 HydrophobicContact CB-CB 4.01Å; L19-A109 HydrophobicContact CD1-CB 4.01Å; P20-A109 WeakPolarHBondContact O-CB 3.35Å; T104-A109 HydrophobicContact CG2-CB 4.16Å; D105-A109 PolarHBondContact O-N 3.38Å; V106-A109 WeakPolarHBondContact O-CB 3.22Å; V106-A109 PolarHBondContact O-N 2.9Å; V106-A109 VanDerWaalsContact O-N 3.15Å; A109-R112 PolarHBondContact O-N 2.67Å; A109-N113 VanDerWaalsContact O-CB 3.27Å; A109-N113 WeakPolarHBondContact O-CB 3.49Å; A109-N113 PolarHBondContact O-N 3.44Å; A109-I127 HydrophobicContact CB-CG2 4.34Å
110V96.3Very high88.8Confident16 Ų1663.9 Ų63.910%0.09736%0.362CS..Hα-helixtrans-58.3-51.6174.8169.60000110.7V106 R112 N113 A114 E124 I127 F128V106-V110 HydrophobicContact CG2-CG2 4.46Å; V106-V110 WeakPolarHBondContact O-CG2 3.39Å; V106-V110 PolarHBondContact O-N 2.58Å; V110-R112 PolarHBondContact O-N 2.76Å; V110-N113 WeakPolarHBondContact O-CB 3.3Å; V110-N113 PolarHBondContact O-N 2.7Å; V110-N113 VanDerWaalsContact O-N 3.14Å; V110-A114 PolarHBondContact O-N 3Å; V110-E124 HydrophobicContact CG1-CB 4.48Å; V110-E124 HydrophobicContact CG1-CG 3.9Å; V110-I127 HydrophobicContact CG2-CB 4.14Å; V110-I127 HydrophobicContact CG2-CD1 4.3Å; V110-I127 HydrophobicContact CG2-CG2 3.83Å; V110-F128 HydrophobicContact CG2-CE1 4.42Å; V110-F128 HydrophobicContact CG2-CE2 4.29Å; V110-F128 HydrophobicContact CG2-CZ 4.05Å
111R94.4Very high88.6Confident151 Ų15170.8 Ų70.857%0.5739%0.388SS*.Hα-helixtrans-58.4-46179-168.7-171.9-51135.19.3112.2D107 V108 N113 A114 L115D107-R111 WeakPolarHBondContact O-CB 3.27Å; D107-R111 PolarHBondContact O-N 3.03Å; V108-R111 PolarHBondContact O-N 3.38Å; R111-N113 VanDerWaalsContact C-N 3.34Å; R111-A114 PolarHBondContact O-N 2.81Å; R111-L115 HydrophobicContact CG-CD1 4.43Å; R111-L115 WeakPolarHBondContact O-CG 3.45Å; R111-L115 PolarHBondContact O-N 3.27Å; R111-L115 VanDerWaalsContact O-N 3.16Å
112R92.8Very high88.4Confident128 Ų12872.6 Ų72.648%0.48340%0.399SS..Hα-helixtrans-65.6-37.3177.7-75.6177175.3172.4-0.5112.2G21 A22 V108 A109 V110 L115 R116G21-R112 WeakPolarHBondContact O-CB 3.36Å; G21-R112 WeakPolarHBondContact O-CD 3.3Å; A22-R112 PolarHBondContact O-NH1 3.46Å; V108-R112 HydrophobicContact CG1-CG 4.41Å; V108-R112 WeakPolarHBondContact O-CB 3.48Å; V108-R112 VanDerWaalsContact O-CG 3.3Å; V108-R112 WeakPolarHBondContact O-CG 3.19Å; V108-R112 PolarHBondContact O-N 2.88Å; A109-R112 PolarHBondContact O-N 2.67Å; V110-R112 PolarHBondContact O-N 2.76Å; R112-L115 PolarHBondContact O-N 2.92Å; R112-R116 PolarHBondContact O-N 2.89Å
113N92.1Very high88.4Confident5 Ų578.1 Ų78.13%0.02743%0.429CS..Hα-helixtrans-65.6-41.4175.517778.1000111.8A109 V110 R111 L115 R116 V122 I127A109-N113 VanDerWaalsContact O-CB 3.27Å; A109-N113 WeakPolarHBondContact O-CB 3.49Å; A109-N113 PolarHBondContact O-N 3.44Å; V110-N113 WeakPolarHBondContact O-CB 3.3Å; V110-N113 PolarHBondContact O-N 2.7Å; V110-N113 VanDerWaalsContact O-N 3.14Å; R111-N113 VanDerWaalsContact C-N 3.34Å; N113-L115 VanDerWaalsContact C-N 3.28Å; N113-L115 PolarHBondContact O-N 2.89Å; N113-R116 WeakPolarHBondContact O-CB 3.38Å; N113-R116 VanDerWaalsContact O-CG 3.29Å; N113-R116 WeakPolarHBondContact O-CG 3.41Å; N113-R116 PolarHBondContact O-N 3.46Å; N113-R116 PolarHBondContact OD1-NH1 3.16Å; N113-V122 PolarHBondContact ND2-O 2.7Å; N113-V122 PolarHBondContact OD1-N 3.49Å; N113-I127 HydrophobicContact CB-CD1 3.62Å
114A92.1Very high88.5Confident42 Ų4279.7 Ų79.735%0.34744%0.436SS..Hα-helixtrans-62.6-33.717600000112.8V110 R111 R116 R121V110-A114 PolarHBondContact O-N 3Å; R111-A114 PolarHBondContact O-N 2.81Å; A114-R116 VanDerWaalsContact C-N 3.28Å; A114-R116 PolarHBondContact O-N 3.28Å; A114-R121 PolarHBondContact O-NH1 2.6Å; A114-R121 PolarHBondContact O-NH2 3.11Å
115L91.2Very high88.6Confident135 Ų13585.3 Ų85.371%0.70746%0.46SS*.THydrogen-bonded Turntrans-81.31.7178.4-66.1172.9000114.3R111 R112 N113 S117R111-L115 HydrophobicContact CG-CD1 4.43Å; R111-L115 WeakPolarHBondContact O-CG 3.45Å; R111-L115 PolarHBondContact O-N 3.27Å; R111-L115 VanDerWaalsContact O-N 3.16Å; R112-L115 PolarHBondContact O-N 2.92Å; N113-L115 VanDerWaalsContact C-N 3.28Å; N113-L115 PolarHBondContact O-N 2.89Å; L115-S117 PolarHBondContact O-N 3.01Å; L115-S117 VanDerWaalsContact O-N 3.16Å
116R85.5Confident88.6Confident58 Ų5882.6 Ų82.622%0.21945%0.448CS..  trans-61.7120.1178.4-73.6174.4171.5-169.1-8.6110.4G21 R112 N113 A114 I120 R121G21-R116 VanDerWaalsContact N-NH2 3.15Å; R112-R116 PolarHBondContact O-N 2.89Å; N113-R116 WeakPolarHBondContact O-CB 3.38Å; N113-R116 VanDerWaalsContact O-CG 3.29Å; N113-R116 WeakPolarHBondContact O-CG 3.41Å; N113-R116 PolarHBondContact O-N 3.46Å; N113-R116 PolarHBondContact OD1-NH1 3.16Å; A114-R116 VanDerWaalsContact C-N 3.28Å; A114-R116 PolarHBondContact O-N 3.28Å; R116-I120 PolarHBondContact NH1-O 3.08Å; R116-R121 HydrophobicContact CB-CG 4.27Å; R116-R121 PolarHBondContact O-NE 3.42Å; R116-R121 VanDerWaalsContact O-NE 3.13Å; R116-R121 PolarHBondContact O-NH2 3.36Å
117S76.9Confident88.5Confident135 Ų13580.7 Ų80.794%0.94444%0.437SS*.SBendtrans-88.1-17.317253.80000113.1L115L115-S117 PolarHBondContact O-N 3.01Å; L115-S117 VanDerWaalsContact O-N 3.16Å
118G69.2Low88.5Confident54 Ų5480.1 Ų80.156%0.55743%0.429SS*.SBendtrans-137.9151177.400000112.3
119G70.5Confident88.4Confident72 Ų7281.1 Ų81.174%0.74243%0.434SS*.SBendtrans82.9173.6-175.600000113.9R121G119-R121 PolarHBondContact O-N 3.38Å
120I77.9Confident88.3Confident141 Ų14184.8 Ų84.872%0.72345%0.451SS*.PPolyproline II helixtrans-74.9125.2179.5-61.8167.7000109R116R116-I120 PolarHBondContact NH1-O 3.08Å
121R87.2Confident88Confident147 Ų14785.8 Ų85.856%0.55546%0.462SS*.PPolyproline II helixtrans-73.6135.4169.5-67.5-177.7-177.1-179.8-0.4108.4A114 R116 G119A114-R121 PolarHBondContact O-NH1 2.6Å; A114-R121 PolarHBondContact O-NH2 3.11Å; R116-R121 HydrophobicContact CB-CG 4.27Å; R116-R121 PolarHBondContact O-NE 3.42Å; R116-R121 VanDerWaalsContact O-NE 3.13Å; R116-R121 PolarHBondContact O-NH2 3.36Å; G119-R121 PolarHBondContact O-N 3.38Å
122V88.7Confident87.7Confident37 Ų3785.2 Ų85.222%0.22447%0.465CS..PPolyproline II helixtrans-91.7135.6175.6-179.50000108.3P20 N113 V126 I127P20-V122 HydrophobicContact CB-CB 4.03Å; P20-V122 HydrophobicContact CB-CG1 4.42Å; P20-V122 HydrophobicContact CB-CG2 3.91Å; P20-V122 HydrophobicContact CG-CB 4.25Å; P20-V122 HydrophobicContact CG-CG1 4.12Å; P20-V122 HydrophobicContact CG-CG2 4.12Å; N113-V122 PolarHBondContact ND2-O 2.7Å; N113-V122 PolarHBondContact OD1-N 3.49Å; V122-V126 HydrophobicContact CG1-CB 3.67Å; V122-V126 HydrophobicContact CG1-CG1 3.53Å; V122-I127 HydrophobicContact CB-CG1 4.36Å; V122-I127 HydrophobicContact CG1-CG1 4.09Å
123D91.4Very high87.5Confident123 Ų12386.2 Ų86.266%0.65847%0.473SS*.PPolyproline II helixtrans-58143177.8-67.6-34.1000111.5E125 V126 I127D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 PolarHBondContact O-N 3.39Å; D123-V126 HydrophobicContact CB-CG2 4.16Å; D123-V126 WeakPolarHBondContact O-CA 3.47Å; D123-V126 WeakPolarHBondContact O-CB 3.41Å; D123-V126 PolarHBondContact O-N 3.48Å; D123-I127 PolarHBondContact O-N 2.8Å; D123-I127 VanDerWaalsContact O-N 3.16Å
124E93.5Very high87.3Confident105 Ų10588.2 Ų88.249%0.49148%0.483SS..Hα-helixtrans-59.4-40.7-176-59.7-170.5170.400111.8V110 V126 I127 F128V110-E124 HydrophobicContact CG1-CB 4.48Å; V110-E124 HydrophobicContact CG1-CG 3.9Å; E124-V126 PolarHBondContact O-N 2.56Å; E124-I127 WeakPolarHBondContact O-CA 3.4Å; E124-I127 WeakPolarHBondContact O-CB 3.49Å; E124-I127 PolarHBondContact O-N 2.93Å; E124-F128 HydrophobicContact CB-CD2 4.35Å; E124-F128 HydrophobicContact CB-CE2 4.08Å; E124-F128 WeakPolarHBondContact O-CD2 3.47Å; E124-F128 PolarHBondContact O-N 2.75Å
125E92.6Very high86.9Confident143 Ų14391.5 Ų91.567%0.66849%0.491SS*.Hα-helixtrans-57.9-37.9176.2-164.6-168.5160.100111.6D123 I127 F128 N129D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 PolarHBondContact O-N 3.39Å; E125-I127 VanDerWaalsContact C-N 3.34Å; E125-F128 PolarHBondContact O-N 2.94Å; E125-N129 WeakPolarHBondContact O-CB 3.48Å; E125-N129 PolarHBondContact O-N 2.81Å; E125-N129 PolarHBondContact O-ND2 3.34Å
126V91.1Very high86.6Confident64 Ų6488.7 Ų88.739%0.38848%0.475SS..Hα-helixtrans-65.9-39.8175.2176.20000110.4V122 D123 E124 N129 M130V122-V126 HydrophobicContact CG1-CB 3.67Å; V122-V126 HydrophobicContact CG1-CG1 3.53Å; D123-V126 HydrophobicContact CB-CG2 4.16Å; D123-V126 WeakPolarHBondContact O-CA 3.47Å; D123-V126 WeakPolarHBondContact O-CB 3.41Å; D123-V126 PolarHBondContact O-N 3.48Å; E124-V126 PolarHBondContact O-N 2.56Å; V126-N129 PolarHBondContact O-N 3.44Å; V126-M130 HydrophobicContact CG1-CG 4.38Å; V126-M130 HydrophobicContact CG1-SD 4.24Å; V126-M130 WeakPolarHBondContact O-CB 3.48Å; V126-M130 VanDerWaalsContact O-CG 3.23Å; V126-M130 WeakPolarHBondContact O-CG 3.23Å; V126-M130 PolarHBondContact O-N 2.82Å
127I93.9Very high86.6Confident0 Ų087.4 Ų87.40%048%0.475CS..Hα-helixtrans-65.1-44.9176.9-58.8176.6000111P20 V106 A109 V110 N113 V122 D123 E124 E125 M130 A131P20-I127 HydrophobicContact CB-CD1 4.17Å; P20-I127 HydrophobicContact CB-CG1 4.03Å; P20-I127 HydrophobicContact CG-CG1 4.11Å; V106-I127 HydrophobicContact CG2-CG2 4.24Å; A109-I127 HydrophobicContact CB-CG2 4.34Å; V110-I127 HydrophobicContact CG2-CB 4.14Å; V110-I127 HydrophobicContact CG2-CD1 4.3Å; V110-I127 HydrophobicContact CG2-CG2 3.83Å; N113-I127 HydrophobicContact CB-CD1 3.62Å; V122-I127 HydrophobicContact CB-CG1 4.36Å; V122-I127 HydrophobicContact CG1-CG1 4.09Å; D123-I127 PolarHBondContact O-N 2.8Å; D123-I127 VanDerWaalsContact O-N 3.16Å; E124-I127 WeakPolarHBondContact O-CA 3.4Å; E124-I127 WeakPolarHBondContact O-CB 3.49Å; E124-I127 PolarHBondContact O-N 2.93Å; E125-I127 VanDerWaalsContact C-N 3.34Å; I127-M130 PolarHBondContact O-N 3.25Å; I127-A131 WeakPolarHBondContact O-CB 3.45Å; I127-A131 PolarHBondContact O-N 3.37Å
128F93.6Very high86.8Confident90 Ų9084.2 Ų84.240%0.39545%0.447SS..Hα-helixtrans-61.7-46.2175.3-71.3-63.4000111.5V106 V110 E124 E125 M130 A131 E132V106-F128 HydrophobicContact CG1-CE1 4.3Å; V106-F128 HydrophobicContact CG2-CD1 3.59Å; V106-F128 HydrophobicContact CG2-CE1 3.8Å; V110-F128 HydrophobicContact CG2-CE1 4.42Å; V110-F128 HydrophobicContact CG2-CE2 4.29Å; V110-F128 HydrophobicContact CG2-CZ 4.05Å; E124-F128 HydrophobicContact CB-CD2 4.35Å; E124-F128 HydrophobicContact CB-CE2 4.08Å; E124-F128 WeakPolarHBondContact O-CD2 3.47Å; E124-F128 PolarHBondContact O-N 2.75Å; E125-F128 PolarHBondContact O-N 2.94Å; F128-M130 VanDerWaalsContact C-N 3.29Å; F128-M130 PolarHBondContact O-N 2.93Å; F128-A131 PolarHBondContact O-N 3.03Å; F128-A131 VanDerWaalsContact O-N 3.14Å; F128-E132 PolarHBondContact O-N 3.37Å
129N90.9Very high87.2Confident58 Ų5883.6 Ų83.631%0.3144%0.437SS..Hα-helixtrans-60.5-38.1175.5-79.5-37.8000112.2E125 V126 K133E125-N129 WeakPolarHBondContact O-CB 3.48Å; E125-N129 PolarHBondContact O-N 2.81Å; E125-N129 PolarHBondContact O-ND2 3.34Å; V126-N129 PolarHBondContact O-N 3.44Å; N129-K133 WeakPolarHBondContact O-CB 3.3Å; N129-K133 WeakPolarHBondContact O-CG 3.48Å; N129-K133 PolarHBondContact O-N 2.85Å
130M91.6Very high87.5Confident76 Ų7685.2 Ų85.237%0.37444%0.436SS..Hα-helixtrans-67.2-44.8173.6-76.9-17772.900111L19 P20 V126 I127 F128 E132 K133 M134L19-M130 HydrophobicContact CD2-CB 3.82Å; P20-M130 VanDerWaalsContact CD-SD 3.57Å; P20-M130 HydrophobicContact CG-CE 4.21Å; P20-M130 HydrophobicContact CG-SD 3.62Å; V126-M130 HydrophobicContact CG1-CG 4.38Å; V126-M130 HydrophobicContact CG1-SD 4.24Å; V126-M130 WeakPolarHBondContact O-CB 3.48Å; V126-M130 VanDerWaalsContact O-CG 3.23Å; V126-M130 WeakPolarHBondContact O-CG 3.23Å; V126-M130 PolarHBondContact O-N 2.82Å; I127-M130 PolarHBondContact O-N 3.25Å; F128-M130 VanDerWaalsContact C-N 3.29Å; F128-M130 PolarHBondContact O-N 2.93Å; M130-E132 VanDerWaalsContact C-N 3.31Å; M130-E132 PolarHBondContact O-N 3.18Å; M130-K133 PolarHBondContact O-N 3.39Å; M130-M134 WeakPolarHBondContact O-CA 3.1Å; M130-M134 WeakPolarHBondContact O-CB 3.47Å; M130-M134 PolarHBondContact O-N 3.34Å
131A91.5Very high87.4Confident38 Ų3880.8 Ų80.831%0.31441%0.411SS..Hα-helixtrans-60.7-39.1179.100000112.6L19 V106 I127 F128L19-A131 HydrophobicContact CD1-CB 3.96Å; L19-A131 HydrophobicContact CD2-CB 4.07Å; V106-A131 HydrophobicContact CB-CB 4.05Å; V106-A131 HydrophobicContact CG2-CB 3.67Å; I127-A131 WeakPolarHBondContact O-CB 3.45Å; I127-A131 PolarHBondContact O-N 3.37Å; F128-A131 PolarHBondContact O-N 3.03Å; F128-A131 VanDerWaalsContact O-N 3.14Å
132E88.1Confident86.9Confident138 Ų13875.2 Ų75.265%0.64539%0.391SS*.Hα-helixtrans-68.5-36.9176.8-165.5-169.1173.700112.5F128 M130F128-E132 PolarHBondContact O-N 3.37Å; M130-E132 VanDerWaalsContact C-N 3.31Å; M130-E132 PolarHBondContact O-N 3.18Å
133K87.5Confident86.2Confident150 Ų15081.8 Ų81.865%0.65241%0.411SS*.Hα-helixtrans-93.9-22-173.3-67.7173.9-175.31670114.1N129 M130 Q135N129-K133 WeakPolarHBondContact O-CB 3.3Å; N129-K133 WeakPolarHBondContact O-CG 3.48Å; N129-K133 PolarHBondContact O-N 2.85Å; M130-K133 PolarHBondContact O-N 3.39Å; K133-Q135 PolarHBondContact O-N 3.17Å
134M88.1Confident85.5Confident47 Ų4780.3 Ų80.323%0.23240%0.397CS..PPolyproline II helixtrans-71118.4-174.4178.1174161.200109.7V17 G18 L19 M130 M136V17-M134 HydrophobicContact CG1-CE 3.74Å; G18-M134 VanDerWaalsContact CA-CE 3.41Å; L19-M134 HydrophobicContact CD2-SD 3.81Å; L19-M134 HydrophobicContact CG-SD 4.2Å; M130-M134 WeakPolarHBondContact O-CA 3.1Å; M130-M134 WeakPolarHBondContact O-CB 3.47Å; M130-M134 PolarHBondContact O-N 3.34Å; M134-M136 HydrophobicContact CE-CE 3.7Å; M134-M136 HydrophobicContact CE-SD 4.14Å
135Q83.8Confident85.1Confident111 Ų11176.4 Ų76.452%0.51938%0.378SS..PPolyproline II helixtrans-90132.3172.5-63.8-178.9-0.800108.3K133K133-Q135 PolarHBondContact O-N 3.17Å
136M84.3Confident84.6Confident76 Ų7677.8 Ų77.837%0.37438%0.377SS..PPolyproline II helixtrans-72152.2168.6-73.9-65.4167.200109.5A101 Q103 M134 D138 L150A101-M136 HydrophobicContact CB-SD 4.32Å; Q103-M136 HydrophobicContact CB-CE 4.16Å; Q103-M136 HydrophobicContact CG-CE 4.09Å; M134-M136 HydrophobicContact CE-CE 3.7Å; M134-M136 HydrophobicContact CE-SD 4.14Å; M136-D138 PolarHBondContact O-N 2.85Å; M136-L150 HydrophobicContact SD-CD1 4.31Å
137P85.5Confident84.4Confident31 Ų3175.3 Ų75.320%0.20136%0.362CS..PPolyproline II helixtrans-55.8137.3178.1-29.340.1000112.2Q99 A101 E145 T148Q99-P137 HydrophobicContact CG-CG 4.47Å; A101-P137 HydrophobicContact CB-CG 3.91Å; P137-E145 WeakPolarHBondContact CA-OE2 3.43Å; P137-E145 HydrophobicContact CB-CB 4.25Å; P137-E145 HydrophobicContact CB-CG 4.43Å; P137-T148 HydrophobicContact CB-CG2 3.79Å; P137-T148 HydrophobicContact CG-CG2 3.78Å
138D81.6Confident84.2Confident67 Ų6777 Ų7736%0.35837%0.372SS..  trans-130.589.6-177.7-177.6-1.9000109.6M136 S140 R141 F142 E145M136-D138 PolarHBondContact O-N 2.85Å; D138-S140 PolarHBondContact O-N 3.4Å; D138-S140 VanDerWaalsContact OD1-CB 3.27Å; D138-S140 WeakPolarHBondContact OD1-CB 3.47Å; D138-S140 PolarHBondContact OD1-N 2.87Å; D138-S140 PolarHBondContact OD1-OG 3.16Å; D138-S140 PolarHBondContact OD2-OG 2.78Å; D138-R141 HydrophobicContact CB-CB 4.13Å; D138-R141 PolarHBondContact O-N 3.16Å; D138-R141 PolarHBondContact OD1-N 3.12Å; D138-R141 WeakPolarHBondContact OD2-CB 3.32Å; D138-F142 PolarHBondContact O-N 3.17Å; D138-E145 PolarHBondContact N-OE2 3.4Å
139A78.5Confident84.1Confident42 Ų4273.8 Ų73.835%0.34736%0.359SS..THydrogen-bonded Turntrans-60.2-16.7177.700000114.1R146A139-R146 HydrophobicContact CB-CB 4.44Å; A139-R146 HydrophobicContact CB-CG 3.89Å
140S76.9Confident84Confident105 Ų10574.9 Ų74.973%0.73437%0.365SS*.THydrogen-bonded Turntrans-75.9-33.2173.781.40000111.5D138D138-S140 PolarHBondContact O-N 3.4Å; D138-S140 VanDerWaalsContact OD1-CB 3.27Å; D138-S140 WeakPolarHBondContact OD1-CB 3.47Å; D138-S140 PolarHBondContact OD1-N 2.87Å; D138-S140 PolarHBondContact OD1-OG 3.16Å; D138-S140 PolarHBondContact OD2-OG 2.78Å
141R75.1Confident83.9Confident49 Ų4971.7 Ų71.719%0.18535%0.349CS..THydrogen-bonded Turntrans-90.1-40.1-179.6-171.9175-179.2-158.4-2.7112.6D138D138-R141 HydrophobicContact CB-CB 4.13Å; D138-R141 PolarHBondContact O-N 3.16Å; D138-R141 PolarHBondContact OD1-N 3.12Å; D138-R141 WeakPolarHBondContact OD2-CB 3.32Å
142F77.5Confident83.5Confident30 Ų3076.7 Ų76.713%0.13236%0.363CS..  trans-124.4108.8-175.7-60.6-65.6000110.9D138 W144 E145D138-F142 PolarHBondContact O-N 3.17Å; F142-W144 HydrophobicContact CB-CZ2 4.38Å; F142-W144 HydrophobicContact CG-CZ2 4.5Å; F142-W144 PolarHBondContact O-N 3.24Å; F142-W144 VanDerWaalsContact O-N 3.13Å; F142-E145 HydrophobicContact CB-CB 4.25Å; F142-E145 HydrophobicContact CB-CG 3.8Å; F142-E145 WeakPolarHBondContact CD2-OE2 3.35Å; F142-E145 WeakPolarHBondContact O-CB 3.12Å; F142-E145 PolarHBondContact O-N 3.43Å
143R73.5Confident82.9Confident175 Ų17580.1 Ų80.166%0.6637%0.37SS*.G310 helixtrans-55.4-35.4-176.9-172.2-173-65.7-166.40.9113.2E145 R146R143-E145 PolarHBondContact O-N 3.46Å; R143-R146 WeakPolarHBondContact O-CB 3.39Å; R143-R146 WeakPolarHBondContact O-CD 3.49Å; R143-R146 VanDerWaalsContact O-CG 3.26Å; R143-R146 WeakPolarHBondContact O-CG 3.15Å; R143-R146 PolarHBondContact O-N 3.45Å
144W76.4Confident82Confident92 Ų9275.3 Ų75.335%0.34835%0.352SS..G310 helixtrans-71.5-16.3179.860.4-92.9000112.9F97 F142 R146F97-W144 AromaticContact CE1-CE3 3.78Å; F97-W144 HydrophobicContact CE1-CE3 3.78Å; F97-W144 HydrophobicContact CE1-CZ3 4.35Å; F97-W144 WeakPolarHBondContact CE1-O 3.39Å; F97-W144 AromaticContact CZ-CE3 3.88Å; F97-W144 HydrophobicContact CZ-CE3 3.88Å; F97-W144 HydrophobicContact CZ-CZ3 4.09Å; F142-W144 HydrophobicContact CB-CZ2 4.38Å; F142-W144 HydrophobicContact CG-CZ2 4.5Å; F142-W144 PolarHBondContact O-N 3.24Å; F142-W144 VanDerWaalsContact O-N 3.13Å; W144-R146 VanDerWaalsContact C-N 3.28Å; W144-R146 PolarHBondContact O-N 3.04Å
145E84.4Confident81Confident22 Ų2278 Ų7810%0.10337%0.371CS..G310 helixtrans-83.80.2174.1-64-174.4150.700113.1P137 D138 F142 R143 N147 T148P137-E145 WeakPolarHBondContact CA-OE2 3.43Å; P137-E145 HydrophobicContact CB-CB 4.25Å; P137-E145 HydrophobicContact CB-CG 4.43Å; D138-E145 PolarHBondContact N-OE2 3.4Å; F142-E145 HydrophobicContact CB-CB 4.25Å; F142-E145 HydrophobicContact CB-CG 3.8Å; F142-E145 WeakPolarHBondContact CD2-OE2 3.35Å; F142-E145 WeakPolarHBondContact O-CB 3.12Å; F142-E145 PolarHBondContact O-N 3.43Å; R143-E145 PolarHBondContact O-N 3.46Å; E145-N147 PolarHBondContact O-N 3.32Å; E145-T148 VanDerWaalsContact O-CB 3.27Å; E145-T148 WeakPolarHBondContact O-CB 3.25Å; E145-T148 PolarHBondContact O-N 2.96Å; E145-T148 PolarHBondContact O-OG1 3.15Å
146R83.1Confident80.7Confident173 Ų17376.3 Ų76.365%0.65337%0.365SS*.G310 helixtrans-59.2-36174.8-76.2176.6179.8-174.8-1.9112.8A139 R143 W144 T148A139-R146 HydrophobicContact CB-CB 4.44Å; A139-R146 HydrophobicContact CB-CG 3.89Å; R143-R146 WeakPolarHBondContact O-CB 3.39Å; R143-R146 WeakPolarHBondContact O-CD 3.49Å; R143-R146 VanDerWaalsContact O-CG 3.26Å; R143-R146 WeakPolarHBondContact O-CG 3.15Å; R143-R146 PolarHBondContact O-N 3.45Å; W144-R146 VanDerWaalsContact C-N 3.28Å; W144-R146 PolarHBondContact O-N 3.04Å; R146-T148 PolarHBondContact O-N 3.23Å; R146-T148 VanDerWaalsContact O-N 3.09Å
147N86.6Confident80.5Confident11 Ų1178.4 Ų78.46%0.05938%0.378CS..SBendtrans-87.660.6175.3-159.413.9000110.9F97 G98 Q99 E145 F166 E173F97-N147 PolarHBondContact O-ND2 3.4Å; G98-N147 CarbonylContact C-O 3.57Å; G98-N147 WeakPolarHBondContact CA-O 3.48Å; Q99-N147 PolarHBondContact N-O 2.89Å; E145-N147 PolarHBondContact O-N 3.32Å; N147-F166 WeakPolarHBondContact OD1-CE2 3.29Å; N147-E173 WeakPolarHBondContact CB-OE2 3.18Å; N147-E173 PolarHBondContact ND2-OE2 3.41Å; N147-E173 PolarHBondContact OD1-OE2 3.37Å
148T90Very high80.3Confident36 Ų3684.3 Ų84.322%0.22140%0.403CS..EExtended strand (participates in β ladder)trans-115.5126.4177.3-61.50000111.2Q99 A101 P137 E145 R146Q99-T148 HydrophobicContact CB-CG2 4.34Å; Q99-T148 HydrophobicContact CG-CG2 4.24Å; Q99-T148 PolarHBondContact NE2-OG1 2.81Å; Q99-T148 CarbonylContact O-C 3.6Å; Q99-T148 WeakPolarHBondContact O-CA 3.38Å; A101-T148 HydrophobicContact CB-CG2 4.21Å; P137-T148 HydrophobicContact CB-CG2 3.79Å; P137-T148 HydrophobicContact CG-CG2 3.78Å; E145-T148 VanDerWaalsContact O-CB 3.27Å; E145-T148 WeakPolarHBondContact O-CB 3.25Å; E145-T148 PolarHBondContact O-N 2.96Å; E145-T148 PolarHBondContact O-OG1 3.15Å; R146-T148 PolarHBondContact O-N 3.23Å; R146-T148 VanDerWaalsContact O-N 3.09Å
149L90.7Very high80.5Confident23 Ų2381.7 Ų81.712%0.1239%0.392CS..EExtended strand (participates in β ladder)trans-92.1116.4164.3-17963.4000110.3Q99 I100 A101 L151 L162 V163 F166Q99-L149 PolarHBondContact O-N 2.85Å; I100-L149 CarbonylContact C-O 3.55Å; I100-L149 WeakPolarHBondContact CA-O 3.32Å; I100-L149 HydrophobicContact CG1-CB 4.33Å; A101-L149 PolarHBondContact N-O 3.35Å; L149-L151 HydrophobicContact CD1-CD2 4.38Å; L149-L151 HydrophobicContact CD2-CD2 3.8Å; L149-L151 HydrophobicContact CD2-CG 4.22Å; L149-L151 HydrophobicContact CG-CD2 3.85Å; L149-L151 HydrophobicContact CG-CG 4.13Å; L149-L162 HydrophobicContact CD1-CD2 4.18Å; L149-L162 HydrophobicContact CD1-CG 4.28Å; L149-V163 HydrophobicContact CD2-CB 4.46Å; L149-V163 HydrophobicContact CD2-CG2 3.92Å; L149-F166 HydrophobicContact CB-CD1 3.88Å; L149-F166 HydrophobicContact CB-CD2 3.81Å; L149-F166 HydrophobicContact CB-CE1 3.92Å; L149-F166 HydrophobicContact CB-CE2 3.83Å; L149-F166 HydrophobicContact CB-CG 3.83Å; L149-F166 HydrophobicContact CB-CZ 3.89Å; L149-F166 HydrophobicContact CD2-CB 3.83Å; L149-F166 HydrophobicContact CD2-CD1 4.03Å; L149-F166 HydrophobicContact CD2-CG 3.87Å; L149-F166 HydrophobicContact CG-CG 4.39Å
150L89.6Confident80.9Confident81 Ų8180.6 Ų80.642%0.42438%0.38SS..EExtended strand (participates in β ladder)trans-90.9111.8174-178.165.7000110.5A101 Q103 M136 K152A101-L150 HydrophobicContact CB-CD1 3.84Å; Q103-L150 HydrophobicContact CB-CD1 4.07Å; M136-L150 HydrophobicContact SD-CD1 4.31Å; L150-K152 HydrophobicContact CG-CG 4.44Å
151L89.1Confident81.4Confident8 Ų880.5 Ų80.54%0.04237%0.37CS..EExtended strand (participates in β ladder)trans-100.1107.9178.5-63.5178.3000110.3L27 I100 A101 Q103 L149 L154 V163L27-L151 HydrophobicContact CD2-CD1 3.43Å; L27-L151 VanDerWaalsContact CD2-CD1 3.43Å; I100-L151 HydrophobicContact CG2-CD1 3.37Å; I100-L151 HydrophobicContact CG2-CG 3.93Å; A101-L151 PolarHBondContact O-N 3.26Å; Q103-L151 PolarHBondContact N-O 3.27Å; L149-L151 HydrophobicContact CD1-CD2 4.38Å; L149-L151 HydrophobicContact CD2-CD2 3.8Å; L149-L151 HydrophobicContact CD2-CG 4.22Å; L149-L151 HydrophobicContact CG-CD2 3.85Å; L149-L151 HydrophobicContact CG-CG 4.13Å; L151-L154 HydrophobicContact CD1-CD1 4.09Å; L151-L154 HydrophobicContact CD1-CD2 4.21Å; L151-L154 HydrophobicContact CD1-CG 4.34Å; L151-V163 HydrophobicContact CD1-CG2 3.66Å; L151-V163 HydrophobicContact CD2-CG2 3.94Å; L151-V163 HydrophobicContact CG-CG2 4.42Å
152K83.7Confident82Confident143 Ų14382.7 Ų82.762%0.62239%0.385SS*.SBendtrans-86-35177.8-63.4-173175.8177.20112.9L150L150-K152 HydrophobicContact CG-CG 4.44Å
153R74.3Confident82.7Confident210 Ų21081.2 Ų81.279%0.79238%0.379SS*.  trans-147.4140179.1-68.1-172.6-73.5-154.9-0.6108.5T155R153-T155 HydrophobicContact CB-CG2 4.3Å
154L69.2Low83.4Confident49 Ų4975.6 Ų75.626%0.25736%0.358SS..  trans-120.895170.3-78.5157.4000105.9L27 L151 F160 V163L27-L154 HydrophobicContact CB-CD1 4.34Å; L27-L154 HydrophobicContact CD1-CD1 4.21Å; L27-L154 HydrophobicContact CD1-CD2 4.22Å; L27-L154 HydrophobicContact CD2-CD1 3.88Å; L27-L154 HydrophobicContact CG-CD1 4.37Å; L151-L154 HydrophobicContact CD1-CD1 4.09Å; L151-L154 HydrophobicContact CD1-CD2 4.21Å; L151-L154 HydrophobicContact CD1-CG 4.34Å; L154-F160 HydrophobicContact CD2-CD1 4.37Å; L154-F160 HydrophobicContact CD2-CE1 4.27Å; L154-V163 HydrophobicContact CD2-CG2 4.36Å
155T66.4Low83.9Confident105 Ų10574.3 Ų74.364%0.64436%0.363SS*.  trans-114.3-23.1-171.540.30000113.8R153R153-T155 HydrophobicContact CB-CG2 4.3Å
156D77.4Confident84.2Confident74 Ų7473.9 Ų73.940%0.39636%0.361SS..SBendtrans-151.6173.3-16444.950.7000111.8E158 G159 F160D156-E158 PolarHBondContact O-N 2.95Å; D156-E158 PolarHBondContact OD1-N 2.9Å; D156-G159 PolarHBondContact O-N 2.74Å; D156-G159 PolarHBondContact OD1-N 3.33Å; D156-F160 WeakPolarHBondContact O-CD2 2.97Å; D156-F160 PolarHBondContact O-N 3.07Å
157D80.6Confident84.5Confident120 Ų12066.8 Ų66.864%0.64234%0.335SS*.Hα-helixtrans-63-29.5178.4-67.3-31.9000112.5F160 L161D157-F160 PolarHBondContact O-N 3.25Å; D157-L161 WeakPolarHBondContact O-CG 3.42Å; D157-L161 PolarHBondContact O-N 3.39Å
158E81.9Confident84.5Confident155 Ų15568.8 Ų68.872%0.72435%0.345SS*.Hα-helixtrans-63.4-44.5176.5-172.1179.6179.800111.1D156 F160 L161 L162D156-E158 PolarHBondContact O-N 2.95Å; D156-E158 PolarHBondContact OD1-N 2.9Å; E158-F160 VanDerWaalsContact C-N 3.28Å; E158-F160 PolarHBondContact O-N 2.74Å; E158-L161 PolarHBondContact O-N 2.9Å; E158-L162 PolarHBondContact O-N 3.49Å
159G84.7Confident84.3Confident13 Ų1371.5 Ų71.513%0.13436%0.356CS..Hα-helixtrans-57.8-39.3173.600000112.8D156 V163D156-G159 PolarHBondContact O-N 2.74Å; D156-G159 PolarHBondContact OD1-N 3.33Å; G159-V163 WeakPolarHBondContact O-CG2 3.44Å; G159-V163 PolarHBondContact O-N 3.07Å
160F88.5Confident84.2Confident18 Ų1870.4 Ų70.48%0.07935%0.35CS..Hα-helixtrans-71.6-37.2176.7-67.4-62.3000112.9F26 L27 K30 M31 I34 L154 D156 D157 E158 L162 V163 R164F26-F160 HydrophobicContact CE1-CE1 4.32Å; F26-F160 AromaticContact CE1-CZ 3.88Å; F26-F160 HydrophobicContact CE1-CZ 3.88Å; F26-F160 HydrophobicContact CZ-CZ 4.31Å; L27-F160 HydrophobicContact CD1-CD1 3.88Å; L27-F160 HydrophobicContact CD1-CE1 3.87Å; K30-F160 HydrophobicContact CB-CD1 4.43Å; K30-F160 HydrophobicContact CB-CE1 4.05Å; K30-F160 HydrophobicContact CG-CD1 3.73Å; K30-F160 HydrophobicContact CG-CE1 3.57Å; K30-F160 HydrophobicContact CG-CE2 4.44Å; K30-F160 HydrophobicContact CG-CG 4.25Å; K30-F160 HydrophobicContact CG-CZ 3.95Å; M31-F160 HydrophobicContact CE-CB 3.92Å; M31-F160 HydrophobicContact CE-CD1 3.58Å; M31-F160 HydrophobicContact CE-CG 4.2Å; I34-F160 HydrophobicContact CD1-CB 3.84Å; I34-F160 HydrophobicContact CD1-CG 4.36Å; L154-F160 HydrophobicContact CD2-CD1 4.37Å; L154-F160 HydrophobicContact CD2-CE1 4.27Å; D156-F160 WeakPolarHBondContact O-CD2 2.97Å; D156-F160 PolarHBondContact O-N 3.07Å; D157-F160 PolarHBondContact O-N 3.25Å; E158-F160 VanDerWaalsContact C-N 3.28Å; E158-F160 PolarHBondContact O-N 2.74Å; F160-L162 VanDerWaalsContact C-N 3.34Å; F160-V163 PolarHBondContact O-N 3.26Å; F160-R164 PolarHBondContact O-N 3.2Å
161L85.7Confident83.9Confident103 Ų10368.9 Ų68.954%0.53934%0.34SS..Hα-helixtrans-65-38173.9-72.5173.2000111.9D157 E158 R164 S165D157-L161 WeakPolarHBondContact O-CG 3.42Å; D157-L161 PolarHBondContact O-N 3.39Å; E158-L161 PolarHBondContact O-N 2.9Å; L161-R164 WeakPolarHBondContact O-CB 3.4Å; L161-R164 PolarHBondContact O-N 3.29Å; L161-S165 PolarHBondContact O-N 3.41Å; L161-S165 PolarHBondContact O-OG 2.93Å; L161-S165 VanDerWaalsContact O-OG 3.11Å
162L89Confident83.4Confident95 Ų9572.1 Ų72.150%0.49736%0.364SS..Hα-helixtrans-60.4-46173177.862.8000111.3L149 E158 F160 R164 S165 F166L149-L162 HydrophobicContact CD1-CD2 4.18Å; L149-L162 HydrophobicContact CD1-CG 4.28Å; E158-L162 PolarHBondContact O-N 3.49Å; F160-L162 VanDerWaalsContact C-N 3.34Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 2.94Å; L162-S165 PolarHBondContact O-N 3.15Å; L162-F166 WeakPolarHBondContact O-CB 3.12Å; L162-F166 PolarHBondContact O-N 3.47Å
163V91.1Very high82.7Confident0 Ų068.7 Ų68.70%035%0.35CS..Hα-helixtrans-62.1-43.4176.1178.70000110.8L27 M31 I100 L149 L151 L154 G159 F160 S165 F166 L167L27-V163 HydrophobicContact CD1-CG1 4.22Å; L27-V163 HydrophobicContact CD1-CG2 4.23Å; L27-V163 HydrophobicContact CD2-CG1 4.46Å; L27-V163 HydrophobicContact CD2-CG2 4.35Å; M31-V163 HydrophobicContact CE-CB 4.05Å; M31-V163 HydrophobicContact CE-CG1 4.08Å; M31-V163 HydrophobicContact CG-CG1 3.89Å; M31-V163 HydrophobicContact SD-CB 3.97Å; M31-V163 HydrophobicContact SD-CG1 3.52Å; M31-V163 VanDerWaalsContact SD-CG1 3.52Å; I100-V163 HydrophobicContact CD1-CG1 3.86Å; L149-V163 HydrophobicContact CD2-CB 4.46Å; L149-V163 HydrophobicContact CD2-CG2 3.92Å; L151-V163 HydrophobicContact CD1-CG2 3.66Å; L151-V163 HydrophobicContact CD2-CG2 3.94Å; L151-V163 HydrophobicContact CG-CG2 4.42Å; L154-V163 HydrophobicContact CD2-CG2 4.36Å; G159-V163 WeakPolarHBondContact O-CG2 3.44Å; G159-V163 PolarHBondContact O-N 3.07Å; F160-V163 PolarHBondContact O-N 3.26Å; V163-S165 PolarHBondContact O-N 2.93Å; V163-F166 PolarHBondContact O-N 3.42Å; V163-L167 HydrophobicContact CG1-CD1 4.04Å; V163-L167 HydrophobicContact CG1-CG 4.28Å; V163-L167 VanDerWaalsContact O-CG 3.27Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.03Å
164R88.8Confident82.1Confident56 Ų5660.1 Ų60.121%0.21132%0.323CS..Hα-helixtrans-56.8-51.4175.5-179.4-174169.7-79.5-0.2111.4I34 F35 D38 F160 L161 L162 F166 L167 I168I34-R164 HydrophobicContact CG2-CG 4.44Å; F35-R164 HydrophobicContact CE1-CG 4.17Å; F35-R164 HydrophobicContact CE2-CB 4.48Å; F35-R164 HydrophobicContact CE2-CG 4.03Å; F35-R164 HydrophobicContact CZ-CB 4.45Å; F35-R164 HydrophobicContact CZ-CG 3.66Å; D38-R164 IonicContact OD2-CZ 3.26Å; D38-R164 VanDerWaalsContact OD2-CZ 3.26Å; D38-R164 IonicContact OD2-NE 3.01Å; D38-R164 PolarHBondContact OD2-NE 3.42Å; D38-R164 IonicContact OD2-NH2 2.67Å; D38-R164 PolarHBondContact OD2-NH2 3.04Å; F160-R164 PolarHBondContact O-N 3.2Å; L161-R164 WeakPolarHBondContact O-CB 3.4Å; L161-R164 PolarHBondContact O-N 3.29Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 2.94Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 PolarHBondContact O-N 2.75Å; R164-L167 PolarHBondContact O-N 3.25Å; R164-L167 VanDerWaalsContact O-N 3.17Å; R164-I168 HydrophobicContact CG-CD1 4.2Å; R164-I168 WeakPolarHBondContact O-CG1 3.38Å; R164-I168 PolarHBondContact O-N 2.92Å
165S87.4Confident81.7Confident65 Ų6560.2 Ų60.246%0.45533%0.328SS..Hα-helixtrans-60.2-41180-63.70000112L161 L162 V163 I168 Q169L161-S165 PolarHBondContact O-N 3.41Å; L161-S165 PolarHBondContact O-OG 2.93Å; L161-S165 VanDerWaalsContact O-OG 3.11Å; L162-S165 PolarHBondContact O-N 3.15Å; V163-S165 PolarHBondContact O-N 2.93Å; S165-I168 PolarHBondContact O-N 2.97Å; S165-Q169 PolarHBondContact O-N 2.99Å
166F90.3Very high81.1Confident14 Ų1461 Ų616%0.06133%0.327CS..Hα-helixtrans-62.6-43.6174.2174.8-99.2000112.6V14 Q99 I100 N147 L149 L162 V163 R164 I168 Q169 C170V14-F166 HydrophobicContact CG1-CE1 4.48Å; Q99-F166 WeakPolarHBondContact O-CZ 3.3Å; I100-F166 HydrophobicContact CD1-CD1 4.07Å; I100-F166 HydrophobicContact CD1-CE1 4.17Å; I100-F166 HydrophobicContact CG1-CD1 3.9Å; I100-F166 HydrophobicContact CG1-CE1 3.59Å; N147-F166 WeakPolarHBondContact OD1-CE2 3.29Å; L149-F166 HydrophobicContact CB-CD1 3.88Å; L149-F166 HydrophobicContact CB-CD2 3.81Å; L149-F166 HydrophobicContact CB-CE1 3.92Å; L149-F166 HydrophobicContact CB-CE2 3.83Å; L149-F166 HydrophobicContact CB-CG 3.83Å; L149-F166 HydrophobicContact CB-CZ 3.89Å; L149-F166 HydrophobicContact CD2-CB 3.83Å; L149-F166 HydrophobicContact CD2-CD1 4.03Å; L149-F166 HydrophobicContact CD2-CG 3.87Å; L149-F166 HydrophobicContact CG-CG 4.39Å; L162-F166 WeakPolarHBondContact O-CB 3.12Å; L162-F166 PolarHBondContact O-N 3.47Å; V163-F166 PolarHBondContact O-N 3.42Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 PolarHBondContact O-N 2.75Å; F166-I168 VanDerWaalsContact C-N 3.28Å; F166-I168 PolarHBondContact O-N 3.23Å; F166-Q169 WeakPolarHBondContact O-CB 3.45Å; F166-Q169 PolarHBondContact O-N 3.4Å; F166-C170 PolarHBondContact O-N 3.13Å; F166-C170 PolarHBondContact O-SG 3.09Å
167L89.4Confident79.7Confident23 Ų2362.7 Ų62.712%0.1234%0.342CS..Hα-helixtrans-62.2-36.7177.6-70.1174.4000111.9V14 M31 F35 I100 V163 R164 C170 F171V14-L167 HydrophobicContact CB-CD2 4.01Å; V14-L167 HydrophobicContact CG1-CD2 3.8Å; V14-L167 HydrophobicContact CG2-CD2 3.67Å; M31-L167 HydrophobicContact CB-CD1 4.2Å; M31-L167 HydrophobicContact CG-CD1 3.84Å; M31-L167 HydrophobicContact SD-CD1 3.84Å; F35-L167 HydrophobicContact CE2-CB 4.18Å; F35-L167 HydrophobicContact CE2-CD1 3.71Å; F35-L167 HydrophobicContact CZ-CB 4.06Å; F35-L167 HydrophobicContact CZ-CD1 4.44Å; I100-L167 HydrophobicContact CD1-CD2 4.02Å; V163-L167 HydrophobicContact CG1-CD1 4.04Å; V163-L167 HydrophobicContact CG1-CG 4.28Å; V163-L167 VanDerWaalsContact O-CG 3.27Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.03Å; R164-L167 PolarHBondContact O-N 3.25Å; R164-L167 VanDerWaalsContact O-N 3.17Å; L167-C170 WeakPolarHBondContact O-CB 3.39Å; L167-C170 PolarHBondContact O-N 3.12Å; L167-F171 WeakPolarHBondContact O-CD2 3.44Å
168I87.1Confident77.9Confident53 Ų5359.8 Ų59.827%0.27233%0.331SS..Hα-helixtrans-67.5-45.2173.1-65.5168000110.5F35 R164 S165 F166 C170 F171F35-I168 HydrophobicContact CE1-CD1 4.32Å; F35-I168 HydrophobicContact CE1-CG1 4.07Å; F35-I168 HydrophobicContact CZ-CG1 4.1Å; R164-I168 HydrophobicContact CG-CD1 4.2Å; R164-I168 WeakPolarHBondContact O-CG1 3.38Å; R164-I168 PolarHBondContact O-N 2.92Å; S165-I168 PolarHBondContact O-N 2.97Å; F166-I168 VanDerWaalsContact C-N 3.28Å; F166-I168 PolarHBondContact O-N 3.23Å; I168-C170 PolarHBondContact O-N 3.34Å; I168-F171 WeakPolarHBondContact O-CB 3.37Å; I168-F171 PolarHBondContact O-N 2.8Å
169Q85.7Confident75.8Confident94 Ų9457.8 Ų57.844%0.43933%0.331SS..Hα-helixtrans-58.3-31.6177177.9-179.2-15.400112.7S165 F166 F171 S172 E173S165-Q169 PolarHBondContact O-N 2.99Å; F166-Q169 WeakPolarHBondContact O-CB 3.45Å; F166-Q169 PolarHBondContact O-N 3.4Å; Q169-F171 PolarHBondContact O-N 3.44Å; Q169-F171 VanDerWaalsContact O-N 3.08Å; Q169-S172 WeakPolarHBondContact O-CB 3.17Å; Q169-S172 PolarHBondContact O-N 3.27Å; Q169-E173 PolarHBondContact NE2-OE1 3.03Å; Q169-E173 PolarHBondContact O-N 2.94Å
170C87.7Confident73.8Confident0 Ų066.7 Ų66.70%037%0.366CS..Hα-helixtrans-58-23.6176.8-67.40000113.2A12 V14 G96 F166 L167 I168A12-C170 HydrophobicContact CB-CB 3.88Å; V14-C170 HydrophobicContact CG2-CB 4.31Å; G96-C170 WeakPolarHBondContact CA-O 3.23Å; F166-C170 PolarHBondContact O-N 3.13Å; F166-C170 PolarHBondContact O-SG 3.09Å; L167-C170 WeakPolarHBondContact O-CB 3.39Å; L167-C170 PolarHBondContact O-N 3.12Å; I168-C170 PolarHBondContact O-N 3.34Å
171F84.6Confident71.6Confident48 Ų4869.8 Ų69.821%0.21138%0.383CS..Hα-helixtrans-73.9-29.8173.6-69.3-85.4000112.4G8 C9 A12 V44 L167 I168 Q169G8-F171 CarbonylContact C-O 3.58Å; G8-F171 VanDerWaalsContact CA-O 3.27Å; G8-F171 WeakPolarHBondContact CA-O 3.27Å; C9-F171 HydrophobicContact CB-CD1 4.49Å; C9-F171 WeakPolarHBondContact CB-O 3.06Å; C9-F171 PolarHBondContact N-O 3.49Å; C9-F171 VanDerWaalsContact O-CD1 3.22Å; C9-F171 WeakPolarHBondContact O-CD1 3.28Å; C9-F171 PolarHBondContact SG-O 3.33Å; A12-F171 HydrophobicContact CB-CD1 3.99Å; A12-F171 HydrophobicContact CB-CD2 4.15Å; A12-F171 HydrophobicContact CB-CE1 3.91Å; A12-F171 HydrophobicContact CB-CE2 4.03Å; A12-F171 HydrophobicContact CB-CG 4.15Å; A12-F171 HydrophobicContact CB-CZ 3.93Å; V44-F171 HydrophobicContact CG1-CE2 3.92Å; V44-F171 HydrophobicContact CG1-CZ 4.05Å; V44-F171 HydrophobicContact CG2-CE2 4.28Å; L167-F171 WeakPolarHBondContact O-CD2 3.44Å; I168-F171 WeakPolarHBondContact O-CB 3.37Å; I168-F171 PolarHBondContact O-N 2.8Å; Q169-F171 PolarHBondContact O-N 3.44Å; Q169-F171 VanDerWaalsContact O-N 3.08Å
172S77.8Confident69.3Low77 Ų7773.6 Ų73.654%0.53840%0.398SS..Hα-helixtrans-77.3-24.1176.6-56.80000112.6Q169 A174Q169-S172 WeakPolarHBondContact O-CB 3.17Å; Q169-S172 PolarHBondContact O-N 3.27Å; S172-A174 PolarHBondContact O-N 2.9Å
173E68.3Low67.2Low71 Ų7172.2 Ų72.233%0.33239%0.393SS..SBendtrans-9683.6179.7-67.3-165.6-154.500111.5G96 F97 N147 Q169 C175G96-E173 WeakPolarHBondContact CA-O 3.34Å; F97-E173 PolarHBondContact N-O 3.33Å; N147-E173 WeakPolarHBondContact CB-OE2 3.18Å; N147-E173 PolarHBondContact ND2-OE2 3.41Å; N147-E173 PolarHBondContact OD1-OE2 3.37Å; Q169-E173 PolarHBondContact NE2-OE1 3.03Å; Q169-E173 PolarHBondContact O-N 2.94Å; E173-C175 PolarHBondContact O-N 2.8Å
174A63.2Low64.7Low29 Ų2976.5 Ų76.524%0.2443%0.429CS..BIsolated β-bridgetrans-56126.3171.400000111.4K94 S172 I176K94-A174 HydrophobicContact CB-CB 3.63Å; K94-A174 HydrophobicContact CD-CB 3.38Å; K94-A174 HydrophobicContact CG-CB 3.82Å; S172-A174 PolarHBondContact O-N 2.9Å; A174-I176 PolarHBondContact O-N 3.17Å
175C60.4Low62.6Low52 Ų5276.8 Ų76.835%0.35143%0.434SS..  trans-59.4107.8171.2-164.20000107.6V95 F97 E173 P177V95-C175 WeakPolarHBondContact O-CB 3.47Å; V95-C175 PolarHBondContact O-N 3.02Å; F97-C175 HydrophobicContact CB-CB 3.69Å; E173-C175 PolarHBondContact O-N 2.8Å; C175-P177 VanDerWaalsContact O-CD 3.29Å; C175-P177 WeakPolarHBondContact O-CD 3.36Å
176I53.3Low60.3Low122 Ų12276 Ų7663%0.62644%0.436SS*.  trans-66.2117.7168.6-57171.8000103.9A174 S178A174-I176 PolarHBondContact O-N 3.17Å; I176-S178 PolarHBondContact O-N 2.91Å
177P48.6Very low58.2Low109 Ų10980 Ų8071%0.70847%0.472SS*.  trans-54.1111.7172.7-14.625.8000105.3C175 P179C175-P177 VanDerWaalsContact O-CD 3.29Å; C175-P177 WeakPolarHBondContact O-CD 3.36Å; P177-P179 WeakPolarHBondContact O-CD 3.18Å
178S42.3Very low56.1Low59 Ų5982.3 Ų82.341%0.41349%0.494SS..  trans-61.8121.317266.70000103.9I176 K180 I181I176-S178 PolarHBondContact O-N 2.91Å; S178-K180 PolarHBondContact O-N 3.47Å; S178-I181 WeakPolarHBondContact OG-CG1 3.33Å
179P38.9Very low54.5Low113 Ų11385.4 Ų85.473%0.73451%0.511SS*.  trans-46.2137.5162.121.4-31.2000106.3P177 I181P177-P179 WeakPolarHBondContact O-CD 3.18Å; P179-I181 WeakPolarHBondContact O-CA 3.41Å; P179-I181 PolarHBondContact O-N 3.27Å
180K40.7Very low52.9Low200 Ų20086.6 Ų86.687%0.8752%0.517SS*.SBendtrans-27.9110179.9-73.4178.2179.4176.30106.8S178 E182S178-K180 PolarHBondContact O-N 3.47Å; K180-E182 PolarHBondContact O-N 2.72Å
181I42.7Very low51.7Low83 Ų8390.7 Ų90.743%0.42654%0.539SS..  trans-60.688.1-164.5-58.3173.2000107.1S178 P179 V183S178-I181 WeakPolarHBondContact OG-CG1 3.33Å; P179-I181 WeakPolarHBondContact O-CA 3.41Å; P179-I181 PolarHBondContact O-N 3.27Å; I181-V183 HydrophobicContact CG2-CB 4.18Å; I181-V183 HydrophobicContact CG2-CG2 3.58Å; I181-V183 PolarHBondContact O-N 2.83Å
182E39Very low51.1Low182 Ų18290.1 Ų90.185%0.8554%0.541SS*.  trans-56.599.7137.4-72.3-177.3-175.300100.9K180 A184K180-E182 PolarHBondContact O-N 2.72Å; E182-A184 PolarHBondContact O-N 3.23Å
183V43.4Very low51.1Low66 Ų6688.9 Ų88.940%0.453%0.528SS..  trans-58.794.8169.8-176.40000102I181 I185I181-V183 HydrophobicContact CG2-CB 4.18Å; I181-V183 HydrophobicContact CG2-CG2 3.58Å; I181-V183 PolarHBondContact O-N 2.83Å; V183-I185 HydrophobicContact CB-CG1 4.43Å; V183-I185 HydrophobicContact CG1-CG1 3.96Å; V183-I185 PolarHBondContact O-N 2.81Å
184A39.4Very low51.4Low90 Ų9088.6 Ų88.674%0.74453%0.534SS*.  trans-64.490.2162.800000101.6E182 G186E182-A184 PolarHBondContact O-N 3.23Å; A184-G186 PolarHBondContact O-N 3.31Å
185I44.4Very low51.9Low62 Ų6288.3 Ų88.332%0.31853%0.528SS..  trans-58.492.5171.8-59.4164.2000101.7V183 A187 E190V183-I185 HydrophobicContact CB-CG1 4.43Å; V183-I185 HydrophobicContact CG1-CG1 3.96Å; V183-I185 PolarHBondContact O-N 2.81Å; I185-A187 PolarHBondContact O-N 3.49Å; I185-E190 HydrophobicContact CB-CG 4.46Å; I185-E190 HydrophobicContact CG2-CG 3.85Å
186G39.6Very low53.1Low49 Ų4985.9 Ų85.951%0.50551%0.512SS..  trans-50.5145.5168.500000105.5A184 A188A184-G186 PolarHBondContact O-N 3.31Å; G186-A188 WeakPolarHBondContact O-CA 3.23Å; G186-A188 PolarHBondContact O-N 3.26Å
187A44.8Very low54.7Low99 Ų9981.5 Ų81.582%0.81849%0.489SS*.SBendtrans-55.312.7-174.800000115.9I185 N189I185-A187 PolarHBondContact O-N 3.49Å; A187-N189 PolarHBondContact O-N 3.39Å
188A46.7Very low56.3Low71 Ų7180.4 Ų80.459%0.58747%0.472SS*.SBendtrans-52.979.3152.300000110G186 E190 N195G186-A188 WeakPolarHBondContact O-CA 3.23Å; G186-A188 PolarHBondContact O-N 3.26Å; A188-E190 PolarHBondContact O-N 3.21Å; A188-N195 PolarHBondContact O-ND2 3.25Å; A188-N195 VanDerWaalsContact O-ND2 3.11Å
189N52.2Low58.3Low118 Ų11882.2 Ų82.263%0.63147%0.47SS*.  trans21.796.9177.3-79.5-18.6000112.5A187 N191 S192 N195A187-N189 PolarHBondContact O-N 3.39Å; N189-N191 PolarHBondContact O-N 3.37Å; N189-S192 WeakPolarHBondContact O-CB 3.35Å; N189-S192 PolarHBondContact O-N 3.14Å; N189-N195 PolarHBondContact O-ND2 2.83Å; N189-N195 VanDerWaalsContact O-ND2 3.16Å
190E53.4Low60.8Low119 Ų11976.9 Ų76.956%0.55644%0.435SS*.THydrogen-bonded Turntrans-47-25.4168.5-69.2-172.1148.500111.8I185 A188 N196I185-E190 HydrophobicContact CB-CG 4.46Å; I185-E190 HydrophobicContact CG2-CG 3.85Å; A188-E190 PolarHBondContact O-N 3.21Å; E190-N196 PolarHBondContact O-OD1 2.81Å
191N61.4Low63.2Low85 Ų8568.6 Ų68.646%0.45540%0.4SS..THydrogen-bonded Turntrans-102.818.6177.7-63.2-23.2000115.5N189 N196N189-N191 PolarHBondContact O-N 3.37Å; N191-N196 WeakPolarHBondContact CA-ND2 3.44Å
192S73.3Confident65.3Low37 Ų3768.1 Ų68.126%0.25940%0.397SS..  trans-64.6142171.781.60000109.8N189 S194 N195 N196N189-S192 WeakPolarHBondContact O-CB 3.35Å; N189-S192 PolarHBondContact O-N 3.14Å; S192-S194 PolarHBondContact O-N 3.26Å; S192-N195 PolarHBondContact O-N 3.16Å; S192-N195 WeakPolarHBondContact OG-CB 3.27Å; S192-N195 VanDerWaalsContact OG-CG 3.23Å; S192-N195 PolarHBondContact OG-N 2.97Å; S192-N195 PolarHBondContact OG-ND2 3.43Å; S192-N195 VanDerWaalsContact OG-ND2 3.12Å; S192-N196 PolarHBondContact O-N 2.73Å
193L76.4Confident67.7Low51 Ų5160 Ų6027%0.26736%0.362SS..Hα-helixtrans-53.8-41.1-179.4178.858.4000112.1N196 L197 G252 F254L193-N196 PolarHBondContact O-N 2.89Å; L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 3.98Å; L193-L197 HydrophobicContact CG-CD1 3.88Å; L193-L197 HydrophobicContact CG-CG 4.42Å; L193-L197 VanDerWaalsContact O-CB 3.32Å; L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 3.13Å; L193-G252 VanDerWaalsContact CD1-O 3.29Å; L193-G252 WeakPolarHBondContact CD1-O 3.35Å; L193-F254 HydrophobicContact CD1-CD1 3.73Å; L193-F254 HydrophobicContact CD1-CE1 3.46Å; L193-F254 VanDerWaalsContact CD1-CE1 3.46Å
194S75.5Confident70.3Confident65 Ų6556.9 Ų56.946%0.45534%0.343SS..Hα-helixtrans-65.3-42.5178.6-170.50000112.3S192 Y198S192-S194 PolarHBondContact O-N 3.26Å; S194-Y198 WeakPolarHBondContact O-CB 3.29Å; S194-Y198 PolarHBondContact O-N 3.19Å; S194-Y198 VanDerWaalsContact O-N 3.07Å
195N74.5Confident72.8Confident23 Ų2359.7 Ų59.712%0.12333%0.334CS..Hα-helixtrans-65.5-45.3176.9-76.5-22.2000111.4A188 N189 S192 Y198 R199A188-N195 PolarHBondContact O-ND2 3.25Å; A188-N195 VanDerWaalsContact O-ND2 3.11Å; N189-N195 PolarHBondContact O-ND2 2.83Å; N189-N195 VanDerWaalsContact O-ND2 3.16Å; S192-N195 PolarHBondContact O-N 3.16Å; S192-N195 WeakPolarHBondContact OG-CB 3.27Å; S192-N195 VanDerWaalsContact OG-CG 3.23Å; S192-N195 PolarHBondContact OG-N 2.97Å; S192-N195 PolarHBondContact OG-ND2 3.43Å; S192-N195 VanDerWaalsContact OG-ND2 3.12Å; N195-Y198 PolarHBondContact O-N 3.41Å; N195-R199 VanDerWaalsContact O-CG 3.29Å; N195-R199 WeakPolarHBondContact O-CG 3.32Å; N195-R199 PolarHBondContact O-N 3.16Å
196N84.5Confident75.1Confident0 Ų064.2 Ų64.20%035%0.347CS..Hα-helixtrans-69.1-40.2-179.3-76-13.3000112.2E190 N191 S192 L193 Y198 R199 C200 F254E190-N196 PolarHBondContact O-OD1 2.81Å; N191-N196 WeakPolarHBondContact CA-ND2 3.44Å; S192-N196 PolarHBondContact O-N 2.73Å; L193-N196 PolarHBondContact O-N 2.89Å; N196-Y198 VanDerWaalsContact C-N 3.31Å; N196-Y198 PolarHBondContact O-N 3.48Å; N196-R199 PolarHBondContact O-N 3.47Å; N196-C200 WeakPolarHBondContact O-CB 3.38Å; N196-C200 PolarHBondContact O-N 2.97Å; N196-C200 PolarHBondContact O-SG 2.87Å; N196-F254 HydrophobicContact CB-CD2 4.4Å; N196-F254 HydrophobicContact CB-CE2 3.77Å; N196-F254 HydrophobicContact CB-CZ 3.91Å; N196-F254 PolarHBondContact ND2-O 3.36Å
197L86.9Confident77.8Confident30 Ų3062 Ų6216%0.15732%0.324CS..Hα-helixtrans-60.5-40.7172.7-76.1171000112.4L193 C200 D201 L245 L248 K249 F254L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 3.98Å; L193-L197 HydrophobicContact CG-CD1 3.88Å; L193-L197 HydrophobicContact CG-CG 4.42Å; L193-L197 VanDerWaalsContact O-CB 3.32Å; L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 3.13Å; L197-C200 PolarHBondContact O-N 2.89Å; L197-D201 PolarHBondContact O-N 3.37Å; L197-L245 HydrophobicContact CD2-CD2 4.43Å; L197-L248 HydrophobicContact CD2-CB 3.96Å; L197-K249 HydrophobicContact CD1-CB 3.86Å; L197-K249 HydrophobicContact CD1-CD 4.43Å; L197-K249 HydrophobicContact CD1-CG 3.9Å; L197-K249 HydrophobicContact CD2-CB 4.12Å; L197-F254 HydrophobicContact CD2-CE1 3.93Å; L197-F254 HydrophobicContact CD2-CZ 3.98Å; L197-F254 HydrophobicContact CG-CE1 4.1Å; L197-F254 HydrophobicContact CG-CZ 4.18Å
198Y82.8Confident80.1Confident87 Ų8758 Ų5834%0.34129%0.289SS..Hα-helixtrans-64.1-45.6175.9175.6-101.8000112.1S194 N195 N196 D201 I202S194-Y198 WeakPolarHBondContact O-CB 3.29Å; S194-Y198 PolarHBondContact O-N 3.19Å; S194-Y198 VanDerWaalsContact O-N 3.07Å; N195-Y198 PolarHBondContact O-N 3.41Å; N196-Y198 VanDerWaalsContact C-N 3.31Å; N196-Y198 PolarHBondContact O-N 3.48Å; Y198-D201 PolarHBondContact O-N 3.38Å; Y198-I202 HydrophobicContact CD1-CD1 3.99Å; Y198-I202 HydrophobicContact CE1-CD1 3.32Å; Y198-I202 HydrophobicContact CE1-CG1 4.36Å; Y198-I202 HydrophobicContact CE2-CD1 4.16Å; Y198-I202 VanDerWaalsContact CZ-CD1 3.44Å; Y198-I202 PolarHBondContact O-N 2.86Å
199R84.4Confident82.2Confident97 Ų9757.1 Ų57.137%0.36628%0.282SS..Hα-helixtrans-62.8-41.9176.8-70.3170.870-168.55111.5N195 N196 I202 A203 M256N195-R199 VanDerWaalsContact O-CG 3.29Å; N195-R199 WeakPolarHBondContact O-CG 3.32Å; N195-R199 PolarHBondContact O-N 3.16Å; N196-R199 PolarHBondContact O-N 3.47Å; R199-I202 PolarHBondContact O-N 3.38Å; R199-A203 WeakPolarHBondContact O-CB 3.36Å; R199-A203 PolarHBondContact O-N 3.16Å; R199-M256 HydrophobicContact CB-CE 3.93Å; R199-M256 HydrophobicContact CB-SD 3.57Å; R199-M256 VanDerWaalsContact CB-SD 3.57Å
200C91.8Very high84.1Confident0 Ų056 Ų560%027%0.273CS..Hα-helixtrans-58.9-47.1171.9-73.90000111.7N196 L197 I202 A203 L204 L245 L248N196-C200 WeakPolarHBondContact O-CB 3.38Å; N196-C200 PolarHBondContact O-N 2.97Å; N196-C200 PolarHBondContact O-SG 2.87Å; L197-C200 PolarHBondContact O-N 2.89Å; C200-I202 VanDerWaalsContact C-N 3.34Å; C200-I202 PolarHBondContact O-N 3.39Å; C200-A203 PolarHBondContact O-N 3.25Å; C200-L204 HydrophobicContact CB-CD1 4.48Å; C200-L204 VanDerWaalsContact O-CB 3.27Å; C200-L204 WeakPolarHBondContact O-CB 3.34Å; C200-L204 WeakPolarHBondContact O-CD1 3.45Å; C200-L204 WeakPolarHBondContact O-CG 3.29Å; C200-L204 PolarHBondContact O-N 2.65Å; C200-L245 HydrophobicContact CB-CD2 3.89Å; C200-L248 HydrophobicContact CB-CD1 4.4Å
201D90.8Very high85.9Confident26 Ų2651.5 Ų51.514%0.13925%0.252CS..Hα-helixtrans-61.9-40.9178.8-178.246.9000111.8L197 Y198 R205 K241 L245L197-D201 PolarHBondContact O-N 3.37Å; Y198-D201 PolarHBondContact O-N 3.38Å; D201-R205 VanDerWaalsContact CG-NE 3.3Å; D201-R205 WeakPolarHBondContact O-CB 3.48Å; D201-R205 WeakPolarHBondContact O-CG 3.3Å; D201-R205 PolarHBondContact O-N 2.89Å; D201-R205 IonicContact OD1-CZ 3.98Å; D201-R205 IonicContact OD1-NE 3.17Å; D201-R205 PolarHBondContact OD1-NE 3.22Å; D201-R205 IonicContact OD1-NH2 2.66Å; D201-R205 IonicContact OD2-CZ 3.15Å; D201-R205 IonicContact OD2-NE 2.8Å; D201-R205 PolarHBondContact OD2-NE 2.85Å; D201-R205 IonicContact OD2-NH2 2.81Å; D201-R205 PolarHBondContact OD2-NH2 3.14Å; D201-K241 IonicContact OD1-NZ 3.85Å; D201-K241 PolarHBondContact OD1-NZ 3.35Å; D201-L245 HydrophobicContact CB-CD1 3.84Å; D201-L245 HydrophobicContact CB-CD2 4.25Å
202I85.9Confident87.2Confident73 Ų7349 Ų4937%0.37424%0.239SC..Hα-helixtrans-61.3-50.9174-71.3177000111.2Y198 R199 C200 R205 R206Y198-I202 HydrophobicContact CD1-CD1 3.99Å; Y198-I202 HydrophobicContact CE1-CD1 3.32Å; Y198-I202 HydrophobicContact CE1-CG1 4.36Å; Y198-I202 HydrophobicContact CE2-CD1 4.16Å; Y198-I202 VanDerWaalsContact CZ-CD1 3.44Å; Y198-I202 PolarHBondContact O-N 2.86Å; R199-I202 PolarHBondContact O-N 3.38Å; C200-I202 VanDerWaalsContact C-N 3.34Å; C200-I202 PolarHBondContact O-N 3.39Å; I202-R205 PolarHBondContact O-N 3.04Å; I202-R206 PolarHBondContact O-N 2.97Å; I202-R206 VanDerWaalsContact O-N 3.12Å
203A90.7Very high87.9Confident12 Ų1250.4 Ų50.410%0.09925%0.246CC..Hα-helixtrans-61.2-47-178.900000111.2R199 C200 R205 R206 I207 M256 L262R199-A203 WeakPolarHBondContact O-CB 3.36Å; R199-A203 PolarHBondContact O-N 3.16Å; C200-A203 PolarHBondContact O-N 3.25Å; A203-R205 PolarHBondContact O-N 2.91Å; A203-R206 WeakPolarHBondContact O-CB 3.37Å; A203-R206 PolarHBondContact O-N 2.85Å; A203-R206 VanDerWaalsContact O-N 3.13Å; A203-I207 WeakPolarHBondContact O-CG1 3.34Å; A203-I207 PolarHBondContact O-N 3.16Å; A203-M256 HydrophobicContact CB-CE 4.2Å; A203-L262 HydrophobicContact CB-CD1 3.74Å
204L96Very high88.5Confident0 Ų051.3 Ų51.30%025%0.252CS..Hα-helixtrans-63.9-38.7177.9-68.1165.8000112.2C200 R206 I207 V208 K241 L244 L245 L262 L266C200-L204 HydrophobicContact CB-CD1 4.48Å; C200-L204 VanDerWaalsContact O-CB 3.27Å; C200-L204 WeakPolarHBondContact O-CB 3.34Å; C200-L204 WeakPolarHBondContact O-CD1 3.45Å; C200-L204 WeakPolarHBondContact O-CG 3.29Å; C200-L204 PolarHBondContact O-N 2.65Å; L204-R206 VanDerWaalsContact C-N 3.28Å; L204-R206 PolarHBondContact O-N 3.35Å; L204-I207 HydrophobicContact CD2-CD1 4.43Å; L204-I207 PolarHBondContact O-N 3.44Å; L204-V208 VanDerWaalsContact O-CG2 3.28Å; L204-V208 WeakPolarHBondContact O-CG2 3.37Å; L204-V208 PolarHBondContact O-N 2.87Å; L204-K241 HydrophobicContact CB-CD 3.87Å; L204-K241 HydrophobicContact CB-CG 3.72Å; L204-K241 HydrophobicContact CD1-CG 4Å; L204-K241 HydrophobicContact CG-CG 4.42Å; L204-L244 HydrophobicContact CD1-CD2 4Å; L204-L244 HydrophobicContact CD1-CG 4.44Å; L204-L244 HydrophobicContact CD2-CD2 3.77Å; L204-L245 HydrophobicContact CD1-CD2 3.9Å; L204-L245 HydrophobicContact CD1-CG 3.98Å; L204-L262 HydrophobicContact CD2-CB 4.14Å; L204-L266 HydrophobicContact CD2-CB 4.04Å; L204-L266 HydrophobicContact CD2-CD1 4.4Å; L204-L266 HydrophobicContact CD2-CD2 4.28Å; L204-L266 HydrophobicContact CD2-CG 4.48Å
205R92.8Very high88.9Confident149 Ų14951.3 Ų51.356%0.56225%0.246SC*.Hα-helixtrans-59.7-39.5173.3-77.7173-166.6-136.511.3112D201 I202 A203 A209 K241D201-R205 VanDerWaalsContact CG-NE 3.3Å; D201-R205 WeakPolarHBondContact O-CB 3.48Å; D201-R205 WeakPolarHBondContact O-CG 3.3Å; D201-R205 PolarHBondContact O-N 2.89Å; D201-R205 IonicContact OD1-CZ 3.98Å; D201-R205 IonicContact OD1-NE 3.17Å; D201-R205 PolarHBondContact OD1-NE 3.22Å; D201-R205 IonicContact OD1-NH2 2.66Å; D201-R205 IonicContact OD2-CZ 3.15Å; D201-R205 IonicContact OD2-NE 2.8Å; D201-R205 PolarHBondContact OD2-NE 2.85Å; D201-R205 IonicContact OD2-NH2 2.81Å; D201-R205 PolarHBondContact OD2-NH2 3.14Å; I202-R205 PolarHBondContact O-N 3.04Å; A203-R205 PolarHBondContact O-N 2.91Å; R205-A209 WeakPolarHBondContact O-CB 3.35Å; R205-A209 PolarHBondContact O-N 3.12Å; R205-K241 HydrophobicContact CG-CD 4.31Å
206R92.4Very high89.3Confident157 Ų15751.6 Ų51.659%0.59225%0.25SC*.Hα-helixtrans-65.3-48.4175.5-70.717556.9-166.3-6.4111.2I202 A203 L204 V208 A209 E210I202-R206 PolarHBondContact O-N 2.97Å; I202-R206 VanDerWaalsContact O-N 3.12Å; A203-R206 WeakPolarHBondContact O-CB 3.37Å; A203-R206 PolarHBondContact O-N 2.85Å; A203-R206 VanDerWaalsContact O-N 3.13Å; L204-R206 VanDerWaalsContact C-N 3.28Å; L204-R206 PolarHBondContact O-N 3.35Å; R206-V208 PolarHBondContact O-N 2.97Å; R206-A209 PolarHBondContact O-N 3.3Å; R206-A209 VanDerWaalsContact O-N 3.16Å; R206-E210 WeakPolarHBondContact O-CB 3.43Å; R206-E210 WeakPolarHBondContact O-CG 3.44Å; R206-E210 PolarHBondContact O-N 3.1Å
207I95.7Very high89Confident4 Ų458.1 Ų58.12%0.02127%0.274CS..Hα-helixtrans-56.6-50.6177.1-64.2164.8000110.1A203 L204 A209 E210 E211 V259 L262 K263 L266A203-I207 WeakPolarHBondContact O-CG1 3.34Å; A203-I207 PolarHBondContact O-N 3.16Å; L204-I207 HydrophobicContact CD2-CD1 4.43Å; L204-I207 PolarHBondContact O-N 3.44Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 3.01Å; I207-E210 PolarHBondContact O-N 3.33Å; I207-E211 HydrophobicContact CG2-CG 4.28Å; I207-E211 VanDerWaalsContact O-CG 3.29Å; I207-E211 WeakPolarHBondContact O-CG 3.29Å; I207-E211 PolarHBondContact O-N 3.46Å; I207-V259 HydrophobicContact CD1-CG1 4.16Å; I207-V259 HydrophobicContact CG1-CG1 4.35Å; I207-L262 HydrophobicContact CD1-CB 4.11Å; I207-K263 HydrophobicContact CD1-CB 4.06Å; I207-K263 HydrophobicContact CG2-CB 4.34Å; I207-K263 HydrophobicContact CG2-CD 4.46Å; I207-K263 HydrophobicContact CG2-CG 3.98Å; I207-L266 HydrophobicContact CB-CD2 4.46Å; I207-L266 HydrophobicContact CG2-CD2 3.82Å
208V94.1Very high88.7Confident14 Ų1457.9 Ų57.99%0.08528%0.28CS..Hα-helixtrans-57.3-45.4177.5172.90000111.3L204 R206 E211 V212 L237 L266L204-V208 VanDerWaalsContact O-CG2 3.28Å; L204-V208 WeakPolarHBondContact O-CG2 3.37Å; L204-V208 PolarHBondContact O-N 2.87Å; R206-V208 PolarHBondContact O-N 2.97Å; V208-E211 PolarHBondContact O-N 3.41Å; V208-V212 HydrophobicContact CG1-CG2 4.29Å; V208-V212 WeakPolarHBondContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.28Å; V208-V212 PolarHBondContact O-N 3.3Å; V208-L237 HydrophobicContact CG1-CB 3.96Å; V208-L237 HydrophobicContact CG2-CB 4.05Å; V208-L266 HydrophobicContact CG2-CD2 3.94Å
209A89.7Confident88.3Confident53 Ų5355.7 Ų55.744%0.43827%0.272SS..Hα-helixtrans-64.1-42.3179.100000112.4R205 R206 I207 T213R205-A209 WeakPolarHBondContact O-CB 3.35Å; R205-A209 PolarHBondContact O-N 3.12Å; R206-A209 PolarHBondContact O-N 3.3Å; R206-A209 VanDerWaalsContact O-N 3.16Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 3.01Å; A209-T213 VanDerWaalsContact O-CB 3.3Å; A209-T213 WeakPolarHBondContact O-CB 3.43Å; A209-T213 PolarHBondContact O-N 3.48Å; A209-T213 PolarHBondContact O-OG1 2.91Å
210E92.3Very high87.4Confident93 Ų9357.5 Ų57.544%0.43529%0.286SS..Hα-helixtrans-62.3-46.2177-74.5170.1-161.700111.2R206 I207 T213 N214R206-E210 WeakPolarHBondContact O-CB 3.43Å; R206-E210 WeakPolarHBondContact O-CG 3.44Å; R206-E210 PolarHBondContact O-N 3.1Å; I207-E210 PolarHBondContact O-N 3.33Å; E210-T213 PolarHBondContact O-N 2.92Å; E210-N214 WeakPolarHBondContact O-CB 3.5Å; E210-N214 PolarHBondContact O-N 3.32Å; E210-N214 PolarHBondContact O-ND2 3.05Å
211E91.9Very high86.3Confident25 Ų2564.2 Ų64.212%0.11732%0.322CS..Hα-helixtrans-65.7-44.5179.6-66.3-56.714300112.6I207 V208 T213 N214 I215 L237 K263 F267I207-E211 HydrophobicContact CG2-CG 4.28Å; I207-E211 VanDerWaalsContact O-CG 3.29Å; I207-E211 WeakPolarHBondContact O-CG 3.29Å; I207-E211 PolarHBondContact O-N 3.46Å; V208-E211 PolarHBondContact O-N 3.41Å; E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 3.43Å; E211-N214 PolarHBondContact O-N 3.17Å; E211-I215 PolarHBondContact O-N 2.9Å; E211-L237 HydrophobicContact CB-CD1 3.96Å; E211-K263 WeakPolarHBondContact OE1-CE 3.33Å; E211-K263 IonicContact OE1-NZ 2.72Å; E211-K263 PolarHBondContact OE1-NZ 3.36Å; E211-F267 HydrophobicContact CG-CE2 4.13Å; E211-F267 HydrophobicContact CG-CZ 3.78Å
212V89.6Confident85.3Confident32 Ų3269 Ų6919%0.19434%0.344CS..Hα-helixtrans-59.5-40.3173.5169.90000110.8V208 S216 V230 L233 L237V208-V212 HydrophobicContact CG1-CG2 4.29Å; V208-V212 WeakPolarHBondContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.28Å; V208-V212 PolarHBondContact O-N 3.3Å; V212-S216 VanDerWaalsContact O-CB 3.27Å; V212-S216 WeakPolarHBondContact O-CB 3.39Å; V212-S216 PolarHBondContact O-N 3.23Å; V212-V230 HydrophobicContact CG1-CG1 3.77Å; V212-L233 HydrophobicContact CG2-CD2 4.48Å; V212-L237 HydrophobicContact CG2-CD1 4.37Å
213T88Confident84.3Confident67 Ų6775.1 Ų75.141%0.41137%0.368SS..Hα-helixtrans-70.7-41.2179.5-55.30000112A209 E210 E211 I215 S216 R217A209-T213 VanDerWaalsContact O-CB 3.3Å; A209-T213 WeakPolarHBondContact O-CB 3.43Å; A209-T213 PolarHBondContact O-N 3.48Å; A209-T213 PolarHBondContact O-OG1 2.91Å; E210-T213 PolarHBondContact O-N 2.92Å; E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 3.43Å; T213-I215 VanDerWaalsContact C-N 3.34Å; T213-S216 PolarHBondContact O-N 2.94Å; T213-R217 PolarHBondContact O-N 2.96Å
214N87.9Confident83Confident71 Ų7179.2 Ų79.238%0.3839%0.387SS..Hα-helixtrans-63.3-41.7179.1-71.8-20.4000111.1E210 E211 R217 G218E210-N214 WeakPolarHBondContact O-CB 3.5Å; E210-N214 PolarHBondContact O-N 3.32Å; E210-N214 PolarHBondContact O-ND2 3.05Å; E211-N214 PolarHBondContact O-N 3.17Å; N214-R217 PolarHBondContact O-N 3.07Å; N214-R217 PolarHBondContact OD1-NH2 3Å; N214-G218 PolarHBondContact O-N 3.37Å
215I83.4Confident81.6Confident64 Ų6485 Ų8533%0.32842%0.418SS..Hα-helixtrans-72.1-39.5177.1-75.4170.1000111.5E211 T213 R217 G218 F219 V230 L233E211-I215 PolarHBondContact O-N 2.9Å; T213-I215 VanDerWaalsContact C-N 3.34Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 2.86Å; I215-G218 PolarHBondContact O-N 3.44Å; I215-F219 HydrophobicContact CG2-CD2 3.59Å; I215-F219 HydrophobicContact CG2-CE2 3.27Å; I215-F219 HydrophobicContact CG2-CZ 4.32Å; I215-F219 WeakPolarHBondContact O-CD2 3.37Å; I215-F219 PolarHBondContact O-N 3.3Å; I215-V230 HydrophobicContact CG2-CG2 4.47Å; I215-L233 HydrophobicContact CB-CD2 4.04Å; I215-L233 HydrophobicContact CD1-CD1 4.46Å; I215-L233 HydrophobicContact CD1-CD2 3.3Å; I215-L233 HydrophobicContact CD1-CG 4.5Å; I215-L233 HydrophobicContact CG1-CD2 4.21Å; I215-L233 HydrophobicContact CG2-CD2 4.08Å
216S82.7Confident80.4Confident30 Ų3078.6 Ų78.621%0.2140%0.397CS..Hα-helixtrans-58.9-41.5173.4179.90000112.1V212 T213 F219 M220V212-S216 VanDerWaalsContact O-CB 3.27Å; V212-S216 WeakPolarHBondContact O-CB 3.39Å; V212-S216 PolarHBondContact O-N 3.23Å; T213-S216 PolarHBondContact O-N 2.94Å; S216-F219 PolarHBondContact O-N 3.27Å; S216-M220 WeakPolarHBondContact O-CG 3.21Å; S216-M220 PolarHBondContact O-N 3.4Å; S216-M220 VanDerWaalsContact O-N 3.15Å
217R79.9Confident79.6Confident136 Ų13676.4 Ų76.451%0.51340%0.397SS..Hα-helixtrans-62.5-47.3172.8-83.5-175.4-97.2135.23.6111.7T213 N214 I215 F219 M220 D221T213-R217 PolarHBondContact O-N 2.96Å; N214-R217 PolarHBondContact O-N 3.07Å; N214-R217 PolarHBondContact OD1-NH2 3Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 2.86Å; R217-F219 VanDerWaalsContact C-N 3.29Å; R217-F219 PolarHBondContact O-N 3.28Å; R217-M220 PolarHBondContact O-N 3.01Å; R217-M220 VanDerWaalsContact O-N 3.11Å; R217-D221 PolarHBondContact O-N 3.05Å
218G79.1Confident78.7Confident26 Ų2678.9 Ų78.927%0.26842%0.418SS..Hα-helixtrans-58.4-36.217800000114.1N214 I215 Q222N214-G218 PolarHBondContact O-N 3.37Å; I215-G218 PolarHBondContact O-N 3.44Å; G218-Q222 VanDerWaalsContact O-CG 3.32Å; G218-Q222 WeakPolarHBondContact O-CG 3.35Å; G218-Q222 PolarHBondContact O-N 3.35Å
219F74.6Confident78.1Confident41 Ų4182.4 Ų82.418%0.1844%0.436CS..Hα-helixtrans-73.9-35.1175.1-75-61.3000113.6I215 S216 R217 D221 Q222 K223 L224 A226 N229 V230I215-F219 HydrophobicContact CG2-CD2 3.59Å; I215-F219 HydrophobicContact CG2-CE2 3.27Å; I215-F219 HydrophobicContact CG2-CZ 4.32Å; I215-F219 WeakPolarHBondContact O-CD2 3.37Å; I215-F219 PolarHBondContact O-N 3.3Å; S216-F219 PolarHBondContact O-N 3.27Å; R217-F219 VanDerWaalsContact C-N 3.29Å; R217-F219 PolarHBondContact O-N 3.28Å; F219-D221 VanDerWaalsContact C-N 3.32Å; F219-Q222 CarbonylContact O-C 3.56Å; F219-Q222 PolarHBondContact O-N 3.33Å; F219-K223 PolarHBondContact O-N 3.37Å; F219-K223 VanDerWaalsContact O-N 3.09Å; F219-L224 HydrophobicContact CD1-CB 3.99Å; F219-L224 HydrophobicContact CD1-CD1 4.09Å; F219-L224 HydrophobicContact CE1-CD1 4.34Å; F219-L224 PolarHBondContact O-N 3.12Å; F219-A226 HydrophobicContact CB-CB 3.48Å; F219-A226 VanDerWaalsContact CB-CB 3.48Å; F219-A226 HydrophobicContact CD2-CB 4.38Å; F219-A226 HydrophobicContact CG-CB 4.13Å; F219-N229 HydrophobicContact CE2-CB 3.78Å; F219-N229 HydrophobicContact CZ-CB 3.77Å; F219-V230 HydrophobicContact CD2-CG2 3.93Å; F219-V230 HydrophobicContact CE2-CG2 4.33Å
220M65Low77.8Confident135 Ų13580.9 Ų80.967%0.66542%0.421SS*.Hα-helixtrans-62.5-41.7174.4-74-173.7-170.500111.2S216 R217 Q222 K223S216-M220 WeakPolarHBondContact O-CG 3.21Å; S216-M220 PolarHBondContact O-N 3.4Å; S216-M220 VanDerWaalsContact O-N 3.15Å; R217-M220 PolarHBondContact O-N 3.01Å; R217-M220 VanDerWaalsContact O-N 3.11Å; M220-Q222 PolarHBondContact O-N 3.47Å; M220-K223 PolarHBondContact O-N 3.08Å
221D70.4Confident77.5Confident140 Ų14082.7 Ų82.775%0.74943%0.43SS*.Hα-helixtrans-63.6-27.7176.5-66.2-23.3000112.1R217 F219R217-D221 PolarHBondContact O-N 3.05Å; F219-D221 VanDerWaalsContact C-N 3.32Å
222Q69.2Low77.3Confident128 Ų12883.9 Ų83.960%0.59844%0.439SS*.THydrogen-bonded Turntrans-96-1-179-66.8176.523.800114.6G218 F219 M220 L224G218-Q222 VanDerWaalsContact O-CG 3.32Å; G218-Q222 WeakPolarHBondContact O-CG 3.35Å; G218-Q222 PolarHBondContact O-N 3.35Å; F219-Q222 CarbonylContact O-C 3.56Å; F219-Q222 PolarHBondContact O-N 3.33Å; M220-Q222 PolarHBondContact O-N 3.47Å; Q222-L224 HydrophobicContact CB-CD1 3.92Å; Q222-L224 HydrophobicContact CB-CG 4.21Å; Q222-L224 PolarHBondContact O-N 2.94Å; Q222-L224 VanDerWaalsContact O-N 3.15Å
223K64.7Low77.2Confident201 Ų20183.3 Ų83.387%0.87444%0.435SS*.THydrogen-bonded Turntrans51.730-175.7-64.1-177.4177.2177.60114.6F219 M220F219-K223 PolarHBondContact O-N 3.37Å; F219-K223 VanDerWaalsContact O-N 3.09Å; M220-K223 PolarHBondContact O-N 3.08Å
224L64.5Low77.4Confident97 Ų9780.8 Ų80.851%0.50842%0.422SS..  trans-88.1159.7176-73.7164.2000110.8F219 Q222 A226F219-L224 HydrophobicContact CD1-CB 3.99Å; F219-L224 HydrophobicContact CD1-CD1 4.09Å; F219-L224 HydrophobicContact CE1-CD1 4.34Å; F219-L224 PolarHBondContact O-N 3.12Å; Q222-L224 HydrophobicContact CB-CD1 3.92Å; Q222-L224 HydrophobicContact CB-CG 4.21Å; Q222-L224 PolarHBondContact O-N 2.94Å; Q222-L224 VanDerWaalsContact O-N 3.15Å; L224-A226 VanDerWaalsContact C-N 3.3Å; L224-A226 PolarHBondContact O-N 3.4Å
225D65.4Low77.5Confident122 Ų12284.9 Ų84.965%0.65243%0.432SS*.  trans-66.491171.8-170.6-3.2000110
226A67.3Low78.1Confident14 Ų1483.1 Ų83.112%0.11642%0.423CS..Hα-helixtrans-73.1-28.2-171.600000112.5F219 L224 N229 V230F219-A226 HydrophobicContact CB-CB 3.48Å; F219-A226 VanDerWaalsContact CB-CB 3.48Å; F219-A226 HydrophobicContact CD2-CB 4.38Å; F219-A226 HydrophobicContact CG-CB 4.13Å; L224-A226 VanDerWaalsContact C-N 3.3Å; L224-A226 PolarHBondContact O-N 3.4Å; A226-N229 PolarHBondContact O-N 3.46Å; A226-V230 HydrophobicContact CB-CG2 4.41Å; A226-V230 VanDerWaalsContact O-CB 3.24Å; A226-V230 WeakPolarHBondContact O-CB 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.09Å; A226-V230 PolarHBondContact O-N 3.31Å
227N75.4Confident78.7Confident112 Ų11281.7 Ų81.760%0.59941%0.413SS*.Hα-helixtrans-69.5-47.5-160.3-82.4-22.5000112.8N229 Q231N227-N229 PolarHBondContact O-N 3.38Å; N227-Q231 WeakPolarHBondContact O-CB 3.5Å; N227-Q231 WeakPolarHBondContact O-CG 3.43Å; N227-Q231 PolarHBondContact O-N 2.93Å
228A78.3Confident79.4Confident55 Ų5577.9 Ų77.946%0.45541%0.407SS..Hα-helixtrans-65.4-40.3-178.800000112.2T232A228-T232 WeakPolarHBondContact O-CB 3.38Å; A228-T232 PolarHBondContact O-N 2.83Å; A228-T232 PolarHBondContact O-OG1 3.33Å
229N80.9Confident80.2Confident88 Ų8880.3 Ų80.347%0.47141%0.411SS..Hα-helixtrans-69.2-44.4179.6-71.1-36000111.7F219 A226 N227 T232 L233F219-N229 HydrophobicContact CE2-CB 3.78Å; F219-N229 HydrophobicContact CZ-CB 3.77Å; A226-N229 PolarHBondContact O-N 3.46Å; N227-N229 PolarHBondContact O-N 3.38Å; N229-T232 PolarHBondContact O-N 3.23Å; N229-L233 WeakPolarHBondContact O-CB 3.02Å; N229-L233 PolarHBondContact O-N 3.37Å
230V84.1Confident81.3Confident21 Ų2178.3 Ų78.313%0.12740%0.403CS..Hα-helixtrans-64.3-41177.8172.40000111V212 I215 F219 A226 G234V212-V230 HydrophobicContact CG1-CG1 3.77Å; I215-V230 HydrophobicContact CG2-CG2 4.47Å; F219-V230 HydrophobicContact CD2-CG2 3.93Å; F219-V230 HydrophobicContact CE2-CG2 4.33Å; A226-V230 HydrophobicContact CB-CG2 4.41Å; A226-V230 VanDerWaalsContact O-CB 3.24Å; A226-V230 WeakPolarHBondContact O-CB 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.09Å; A226-V230 PolarHBondContact O-N 3.31Å; V230-G234 PolarHBondContact O-N 3Å
231Q85Confident82.9Confident131 Ų13173.4 Ų73.461%0.61238%0.377SS*.Hα-helixtrans-65-44.7175.3-74.6176.915.100112.3N227 G234 R235N227-Q231 WeakPolarHBondContact O-CB 3.5Å; N227-Q231 WeakPolarHBondContact O-CG 3.43Å; N227-Q231 PolarHBondContact O-N 2.93Å; Q231-G234 PolarHBondContact O-N 3.13Å; Q231-R235 WeakPolarHBondContact O-CB 3.27Å; Q231-R235 PolarHBondContact O-N 3.46Å
232T87.1Confident84Confident50 Ų5069.4 Ų69.431%0.30736%0.364SS..Hα-helixtrans-59.9-50.2177.9-60.70000110.4A228 N229 G234 R235 E236A228-T232 WeakPolarHBondContact O-CB 3.38Å; A228-T232 PolarHBondContact O-N 2.83Å; A228-T232 PolarHBondContact O-OG1 3.33Å; N229-T232 PolarHBondContact O-N 3.23Å; T232-G234 PolarHBondContact O-N 3.48Å; T232-R235 WeakPolarHBondContact O-CB 3.29Å; T232-R235 PolarHBondContact O-N 3.28Å; T232-E236 HydrophobicContact CG2-CG 4.48Å; T232-E236 VanDerWaalsContact O-CG 3.3Å; T232-E236 WeakPolarHBondContact O-CG 3.27Å; T232-E236 PolarHBondContact O-N 3.17Å
233L89.2Confident85.3Confident20 Ų2065.7 Ų65.711%0.10535%0.348CS..Hα-helixtrans-59-47.8176.5177.376.1000112.1V212 I215 N229 R235 E236 L237 Y270V212-L233 HydrophobicContact CG2-CD2 4.48Å; I215-L233 HydrophobicContact CB-CD2 4.04Å; I215-L233 HydrophobicContact CD1-CD1 4.46Å; I215-L233 HydrophobicContact CD1-CD2 3.3Å; I215-L233 HydrophobicContact CD1-CG 4.5Å; I215-L233 HydrophobicContact CG1-CD2 4.21Å; I215-L233 HydrophobicContact CG2-CD2 4.08Å; N229-L233 WeakPolarHBondContact O-CB 3.02Å; N229-L233 PolarHBondContact O-N 3.37Å; L233-R235 PolarHBondContact O-N 2.98Å; L233-E236 PolarHBondContact O-N 3.07Å; L233-E236 VanDerWaalsContact O-N 3.15Å; L233-L237 HydrophobicContact CD1-CD1 3.93Å; L233-L237 HydrophobicContact CD1-CG 3.97Å; L233-L237 HydrophobicContact CD2-CD1 4.25Å; L233-L237 HydrophobicContact CG-CD1 3.83Å; L233-L237 HydrophobicContact CG-CG 4.18Å; L233-L237 WeakPolarHBondContact O-CB 3.2Å; L233-L237 WeakPolarHBondContact O-CG 3.46Å; L233-L237 PolarHBondContact O-N 2.66Å; L233-Y270 WeakPolarHBondContact CD1-OH 3.24Å
234G91Very high86.8Confident15 Ų1556.5 Ų56.516%0.15531%0.308CS..Hα-helixtrans-58.8-38.3-179.300000112.3V230 Q231 T232 S238V230-G234 PolarHBondContact O-N 3Å; Q231-G234 PolarHBondContact O-N 3.13Å; T232-G234 PolarHBondContact O-N 3.48Å; G234-S238 VanDerWaalsContact O-CB 3.27Å; G234-S238 WeakPolarHBondContact O-CB 3.44Å; G234-S238 PolarHBondContact O-N 3.49Å; G234-S238 VanDerWaalsContact O-N 3.11Å; G234-S238 PolarHBondContact O-OG 3.28Å
235R91.3Very high88.2Confident156 Ų15653.2 Ų53.259%0.58929%0.291SS*.Hα-helixtrans-65.1-50.3173.1-177.4-179.763.3-157.5-3.5111.5Q231 T232 L233 L237 S238 E239Q231-R235 WeakPolarHBondContact O-CB 3.27Å; Q231-R235 PolarHBondContact O-N 3.46Å; T232-R235 WeakPolarHBondContact O-CB 3.29Å; T232-R235 PolarHBondContact O-N 3.28Å; L233-R235 PolarHBondContact O-N 2.98Å; R235-L237 PolarHBondContact O-N 3.08Å; R235-S238 WeakPolarHBondContact O-CB 3.34Å; R235-S238 PolarHBondContact O-N 2.98Å; R235-E239 PolarHBondContact O-N 3.45Å
236E94.3Very high89.6Confident28 Ų2853.4 Ų53.413%0.13129%0.286CS..Hα-helixtrans-64.5-41.6-177.3-64.1177.1159.200113T232 L233 S238 E239 A240 Y270 R277T232-E236 HydrophobicContact CG2-CG 4.48Å; T232-E236 VanDerWaalsContact O-CG 3.3Å; T232-E236 WeakPolarHBondContact O-CG 3.27Å; T232-E236 PolarHBondContact O-N 3.17Å; L233-E236 PolarHBondContact O-N 3.07Å; L233-E236 VanDerWaalsContact O-N 3.15Å; E236-S238 VanDerWaalsContact C-N 3.31Å; E236-S238 PolarHBondContact O-N 3.49Å; E236-E239 WeakPolarHBondContact O-CB 3.34Å; E236-E239 PolarHBondContact O-N 2.91Å; E236-A240 WeakPolarHBondContact O-CB 3.47Å; E236-A240 PolarHBondContact O-N 3.5Å; E236-Y270 HydrophobicContact CB-CD2 4.09Å; E236-Y270 HydrophobicContact CB-CE2 3.51Å; E236-Y270 HydrophobicContact CG-CE2 4.31Å; E236-Y270 WeakPolarHBondContact OE2-CE2 3.36Å; E236-Y270 PolarHBondContact OE2-OH 2.77Å; E236-R277 IonicContact OE1-NH1 3.36Å; E236-R277 PolarHBondContact OE1-NH1 2.71Å
237L96.8Very high90.9Very high0 Ų056.8 Ų56.80%030%0.296CS..Hα-helixtrans-66.7-35.3175.4-71.7179.8000111.7V208 E211 V212 L233 R235 E239 A240 K241 F267 Y270V208-L237 HydrophobicContact CG1-CB 3.96Å; V208-L237 HydrophobicContact CG2-CB 4.05Å; E211-L237 HydrophobicContact CB-CD1 3.96Å; V212-L237 HydrophobicContact CG2-CD1 4.37Å; L233-L237 HydrophobicContact CD1-CD1 3.93Å; L233-L237 HydrophobicContact CD1-CG 3.97Å; L233-L237 HydrophobicContact CD2-CD1 4.25Å; L233-L237 HydrophobicContact CG-CD1 3.83Å; L233-L237 HydrophobicContact CG-CG 4.18Å; L233-L237 WeakPolarHBondContact O-CB 3.2Å; L233-L237 WeakPolarHBondContact O-CG 3.46Å; L233-L237 PolarHBondContact O-N 2.66Å; R235-L237 PolarHBondContact O-N 3.08Å; L237-E239 VanDerWaalsContact C-N 3.31Å; L237-A240 PolarHBondContact O-N 3.22Å; L237-K241 WeakPolarHBondContact O-CB 3.37Å; L237-K241 PolarHBondContact O-N 3.11Å; L237-F267 HydrophobicContact CD2-CE1 4.3Å; L237-Y270 HydrophobicContact CD2-CD1 4.24Å; L237-Y270 HydrophobicContact CD2-CD2 4.23Å; L237-Y270 HydrophobicContact CD2-CG 4.03Å
238S94.8Very high91.7Very high56 Ų5652.4 Ų52.439%0.39227%0.273SS..Hα-helixtrans-66.5-35.1174.9-64.30000112.3G234 R235 E236 K241 A242G234-S238 VanDerWaalsContact O-CB 3.27Å; G234-S238 WeakPolarHBondContact O-CB 3.44Å; G234-S238 PolarHBondContact O-N 3.49Å; G234-S238 VanDerWaalsContact O-N 3.11Å; G234-S238 PolarHBondContact O-OG 3.28Å; R235-S238 WeakPolarHBondContact O-CB 3.34Å; R235-S238 PolarHBondContact O-N 2.98Å; E236-S238 VanDerWaalsContact C-N 3.31Å; E236-S238 PolarHBondContact O-N 3.49Å; S238-K241 WeakPolarHBondContact O-CB 3.5Å; S238-A242 PolarHBondContact O-N 2.85Å
239E95.7Very high92.3Very high76 Ų7655.2 Ų55.236%0.35528%0.275SS..Hα-helixtrans-70.6-46.3174.5-173.3179.8162.800111.8R235 E236 L237 K241 A242 L243 L273 R277R235-E239 PolarHBondContact O-N 3.45Å; E236-E239 WeakPolarHBondContact O-CB 3.34Å; E236-E239 PolarHBondContact O-N 2.91Å; L237-E239 VanDerWaalsContact C-N 3.31Å; E239-K241 VanDerWaalsContact C-N 3.27Å; E239-K241 PolarHBondContact O-N 3.34Å; E239-A242 WeakPolarHBondContact O-CB 3.35Å; E239-A242 PolarHBondContact O-N 3.38Å; E239-A242 VanDerWaalsContact O-N 3.08Å; E239-L243 PolarHBondContact O-N 2.89Å; E239-L273 HydrophobicContact CG-CD1 4.14Å; E239-R277 IonicContact OE1-NH2 2.86Å; E239-R277 PolarHBondContact OE1-NH2 2.93Å; E239-R277 IonicContact OE2-CZ 3.81Å; E239-R277 IonicContact OE2-NH2 2.6Å; E239-R277 PolarHBondContact OE2-NH2 3.38Å
240A97.8Very high92.7Very high0 Ų057.7 Ų57.70%028%0.283CS..Hα-helixtrans-57-42.4173.200000111.5E236 L237 L243 L244 L266 V269 L273E236-A240 WeakPolarHBondContact O-CB 3.47Å; E236-A240 PolarHBondContact O-N 3.5Å; L237-A240 PolarHBondContact O-N 3.22Å; A240-L243 PolarHBondContact O-N 2.9Å; A240-L244 WeakPolarHBondContact O-CB 3.44Å; A240-L244 PolarHBondContact O-N 3.01Å; A240-L266 HydrophobicContact CB-CD1 3.9Å; A240-V269 HydrophobicContact CB-CB 4.45Å; A240-V269 HydrophobicContact CB-CG1 4.08Å; A240-V269 WeakPolarHBondContact O-CG1 3.47Å; A240-L273 HydrophobicContact CB-CD1 4.01Å
241K97Very high93Very high31 Ų3161.2 Ų61.214%0.13531%0.309CS..Hα-helixtrans-58.2-49.2172.8179.7-167.974.2141.70111.9D201 L204 R205 L237 S238 E239 L243 L244 L245 L266D201-K241 IonicContact OD1-NZ 3.85Å; D201-K241 PolarHBondContact OD1-NZ 3.35Å; L204-K241 HydrophobicContact CB-CD 3.87Å; L204-K241 HydrophobicContact CB-CG 3.72Å; L204-K241 HydrophobicContact CD1-CG 4Å; L204-K241 HydrophobicContact CG-CG 4.42Å; R205-K241 HydrophobicContact CG-CD 4.31Å; L237-K241 WeakPolarHBondContact O-CB 3.37Å; L237-K241 PolarHBondContact O-N 3.11Å; S238-K241 WeakPolarHBondContact O-CB 3.5Å; E239-K241 VanDerWaalsContact C-N 3.27Å; E239-K241 PolarHBondContact O-N 3.34Å; K241-L243 VanDerWaalsContact C-N 3.29Å; K241-L243 PolarHBondContact O-N 3.08Å; K241-L244 PolarHBondContact O-N 3.07Å; K241-L245 HydrophobicContact CG-CD1 4.1Å; K241-L245 WeakPolarHBondContact O-CG 3.06Å; K241-L245 PolarHBondContact O-N 3.35Å; K241-L266 HydrophobicContact CB-CD1 4.01Å
242A94.3Very high93Very high57 Ų5755.9 Ų55.947%0.47129%0.289SS..Hα-helixtrans-60.8-41.9-178.900000111.4S238 E239 K246S238-A242 PolarHBondContact O-N 2.85Å; E239-A242 WeakPolarHBondContact O-CB 3.35Å; E239-A242 PolarHBondContact O-N 3.38Å; E239-A242 VanDerWaalsContact O-N 3.08Å; A242-K246 PolarHBondContact O-N 3.11Å
243L95.9Very high92.9Very high49 Ų4959 Ų5926%0.25731%0.31SS..Hα-helixtrans-67.3-41.7176.4-177.456.4000112.3E239 A240 K241 K246 R247 V269 L273E239-L243 PolarHBondContact O-N 2.89Å; A240-L243 PolarHBondContact O-N 2.9Å; K241-L243 VanDerWaalsContact C-N 3.29Å; K241-L243 PolarHBondContact O-N 3.08Å; L243-K246 WeakPolarHBondContact O-CB 3.44Å; L243-K246 PolarHBondContact O-N 3.15Å; L243-R247 WeakPolarHBondContact O-CG 3.4Å; L243-R247 PolarHBondContact O-N 2.95Å; L243-V269 HydrophobicContact CB-CG1 3.97Å; L243-V269 HydrophobicContact CD2-CG1 3.78Å; L243-V269 HydrophobicContact CG-CG1 3.95Å; L243-L273 HydrophobicContact CD2-CD1 4.3Å; L243-L273 HydrophobicContact CD2-CD2 3.83Å; L243-L273 HydrophobicContact CD2-CG 4.13Å
244L97.3Very high92.8Very high8 Ų859.7 Ų59.74%0.04231%0.313CS..Hα-helixtrans-60.6-46.7175.5177.956.8000111.4L204 A240 K241 K246 R247 L248 L265 L266 V269L204-L244 HydrophobicContact CD1-CD2 4Å; L204-L244 HydrophobicContact CD1-CG 4.44Å; L204-L244 HydrophobicContact CD2-CD2 3.77Å; A240-L244 WeakPolarHBondContact O-CB 3.44Å; A240-L244 PolarHBondContact O-N 3.01Å; K241-L244 PolarHBondContact O-N 3.07Å; L244-K246 VanDerWaalsContact C-N 3.28Å; L244-K246 PolarHBondContact O-N 2.94Å; L244-R247 PolarHBondContact O-N 3.07Å; L244-L248 HydrophobicContact CD1-CD1 4.33Å; L244-L248 HydrophobicContact CD1-CG 4.21Å; L244-L248 HydrophobicContact CG-CD1 4.2Å; L244-L248 WeakPolarHBondContact O-CG 3.21Å; L244-L248 PolarHBondContact O-N 3.28Å; L244-L265 HydrophobicContact CD1-CB 4.03Å; L244-L265 HydrophobicContact CD2-CB 3.99Å; L244-L266 HydrophobicContact CD2-CB 4.2Å; L244-V269 HydrophobicContact CB-CG2 4.2Å; L244-V269 HydrophobicContact CD1-CG2 4.22Å
245L94.4Very high92.6Very high29 Ų2966.2 Ų66.215%0.15234%0.339CS..Hα-helixtrans-61.4-37.4176.4-73.2171.1000112.1L197 C200 D201 L204 K241 K249L197-L245 HydrophobicContact CD2-CD2 4.43Å; C200-L245 HydrophobicContact CB-CD2 3.89Å; D201-L245 HydrophobicContact CB-CD1 3.84Å; D201-L245 HydrophobicContact CB-CD2 4.25Å; L204-L245 HydrophobicContact CD1-CD2 3.9Å; L204-L245 HydrophobicContact CD1-CG 3.98Å; K241-L245 HydrophobicContact CG-CD1 4.1Å; K241-L245 WeakPolarHBondContact O-CG 3.06Å; K241-L245 PolarHBondContact O-N 3.35Å; L245-K249 WeakPolarHBondContact O-CB 3.21Å; L245-K249 PolarHBondContact O-N 3.29Å
246K92.9Very high92.4Very high126 Ų12661 Ų6155%0.54832%0.322SS..Hα-helixtrans-63-45.5174-174.9178.4179.41790111.5A242 L243 L244 K249 Q250A242-K246 PolarHBondContact O-N 3.11Å; L243-K246 WeakPolarHBondContact O-CB 3.44Å; L243-K246 PolarHBondContact O-N 3.15Å; L244-K246 VanDerWaalsContact C-N 3.28Å; L244-K246 PolarHBondContact O-N 2.94Å; K246-K249 PolarHBondContact O-N 3.27Å; K246-Q250 VanDerWaalsContact O-CG 3.29Å; K246-Q250 WeakPolarHBondContact O-CG 3.24Å; K246-Q250 PolarHBondContact O-N 3.47Å
247R95.2Very high92.2Very high84 Ų8460.5 Ų60.532%0.31732%0.321SS..Hα-helixtrans-60.5-49.2176.5-70176.4-174.1-170.72.1111.1L243 L244 K249 Q250 S251 Q272L243-R247 WeakPolarHBondContact O-CG 3.4Å; L243-R247 PolarHBondContact O-N 2.95Å; L244-R247 PolarHBondContact O-N 3.07Å; R247-K249 VanDerWaalsContact C-N 3.31Å; R247-K249 PolarHBondContact O-N 3.01Å; R247-Q250 PolarHBondContact O-N 2.98Å; R247-Q250 VanDerWaalsContact O-N 3.08Å; R247-S251 PolarHBondContact O-N 2.95Å; R247-S251 PolarHBondContact O-OG 2.94Å; R247-S251 VanDerWaalsContact O-OG 3.12Å; R247-Q272 VanDerWaalsContact CZ-OE1 3.32Å
248L93.2Very high92Very high21 Ų2163.1 Ų63.111%0.1134%0.343CS..Hα-helixtrans-58.7-40.8177-70.1174.1000112.4L197 C200 L244 Q250 S251 F254L197-L248 HydrophobicContact CD2-CB 3.96Å; C200-L248 HydrophobicContact CB-CD1 4.4Å; L244-L248 HydrophobicContact CD1-CD1 4.33Å; L244-L248 HydrophobicContact CD1-CG 4.21Å; L244-L248 HydrophobicContact CG-CD1 4.2Å; L244-L248 WeakPolarHBondContact O-CG 3.21Å; L244-L248 PolarHBondContact O-N 3.28Å; L248-Q250 VanDerWaalsContact C-N 3.32Å; L248-Q250 PolarHBondContact O-N 3.19Å; L248-S251 PolarHBondContact O-N 2.99Å; L248-F254 HydrophobicContact CB-CE1 3.89Å; L248-F254 HydrophobicContact CB-CZ 4.1Å; L248-F254 HydrophobicContact CD1-CZ 4.4Å
249K89.5Confident91.9Very high113 Ų11363.9 Ų63.949%0.49135%0.345SS..Hα-helixtrans-63.8-37.9176-176.4179.1177.9-175.60112L197 L245 K246 R247L197-K249 HydrophobicContact CD1-CB 3.86Å; L197-K249 HydrophobicContact CD1-CD 4.43Å; L197-K249 HydrophobicContact CD1-CG 3.9Å; L197-K249 HydrophobicContact CD2-CB 4.12Å; L245-K249 WeakPolarHBondContact O-CB 3.21Å; L245-K249 PolarHBondContact O-N 3.29Å; K246-K249 PolarHBondContact O-N 3.27Å; R247-K249 VanDerWaalsContact C-N 3.31Å; R247-K249 PolarHBondContact O-N 3.01Å
250Q90.9Very high91.8Very high140 Ų14067.2 Ų67.265%0.65436%0.36SS*.Hα-helixtrans-75.4-25.6-179.8-72172.9-21.100113.2K246 R247 L248 G252K246-Q250 VanDerWaalsContact O-CG 3.29Å; K246-Q250 WeakPolarHBondContact O-CG 3.24Å; K246-Q250 PolarHBondContact O-N 3.47Å; R247-Q250 PolarHBondContact O-N 2.98Å; R247-Q250 VanDerWaalsContact O-N 3.08Å; L248-Q250 VanDerWaalsContact C-N 3.32Å; L248-Q250 PolarHBondContact O-N 3.19Å; Q250-G252 PolarHBondContact O-N 3.49Å
251S88.8Confident91.8Very high95 Ų9572.1 Ų72.166%0.66438%0.384SS*.THydrogen-bonded Turntrans-70.5-7.5176.7-61.70000114.3R247 L248R247-S251 PolarHBondContact O-N 2.95Å; R247-S251 PolarHBondContact O-OG 2.94Å; R247-S251 VanDerWaalsContact O-OG 3.12Å; L248-S251 PolarHBondContact O-N 2.99Å
252G85.4Confident91.8Very high20 Ų2070.7 Ų70.721%0.20638%0.377CS..  trans81.7-162.3-17700000112.5L193 Q250 F254L193-G252 VanDerWaalsContact CD1-O 3.29Å; L193-G252 WeakPolarHBondContact CD1-O 3.35Å; Q250-G252 PolarHBondContact O-N 3.49Å; G252-F254 WeakPolarHBondContact O-CD1 3.5Å; G252-F254 PolarHBondContact O-N 3.48Å
253P85.5Confident91.9Very high115 Ų11571.8 Ų71.875%0.74737%0.371SS*.SBendtrans-58.9133.4178.6-21.933.4000112.1
254F86Confident92Very high34 Ų3476 Ų7615%0.14939%0.388CS..  trans-141.6157.217963.3-91.9000110.2L193 N196 L197 L248 G252L193-F254 HydrophobicContact CD1-CD1 3.73Å; L193-F254 HydrophobicContact CD1-CE1 3.46Å; L193-F254 VanDerWaalsContact CD1-CE1 3.46Å; N196-F254 HydrophobicContact CB-CD2 4.4Å; N196-F254 HydrophobicContact CB-CE2 3.77Å; N196-F254 HydrophobicContact CB-CZ 3.91Å; N196-F254 PolarHBondContact ND2-O 3.36Å; L197-F254 HydrophobicContact CD2-CE1 3.93Å; L197-F254 HydrophobicContact CD2-CZ 3.98Å; L197-F254 HydrophobicContact CG-CE1 4.1Å; L197-F254 HydrophobicContact CG-CZ 4.18Å; L248-F254 HydrophobicContact CB-CE1 3.89Å; L248-F254 HydrophobicContact CB-CZ 4.1Å; L248-F254 HydrophobicContact CD1-CZ 4.4Å; G252-F254 WeakPolarHBondContact O-CD1 3.5Å; G252-F254 PolarHBondContact O-N 3.48Å
255E87.7Confident92.1Very high153 Ų15377.8 Ų77.872%0.71540%0.397SS*.  trans-80.5142.9170.8-66.4-171.5167.200110.9P257E255-P257 WeakPolarHBondContact O-CD 3.41Å; E255-P257 VanDerWaalsContact O-N 3.08Å
256M87.4Confident92.3Very high45 Ų4576.4 Ų76.422%0.22239%0.39CS..  trans-56.2115.4179.9-179.967.2-169.200110.7R199 A203 L262R199-M256 HydrophobicContact CB-CE 3.93Å; R199-M256 HydrophobicContact CB-SD 3.57Å; R199-M256 VanDerWaalsContact CB-SD 3.57Å; A203-M256 HydrophobicContact CB-CE 4.2Å; M256-L262 HydrophobicContact CE-CD1 3.7Å
257P90.7Very high92.5Very high19 Ų1973.4 Ų73.412%0.12338%0.377CS..  trans-68.8157.5-179.5-14.929000111.5E255 E261 L262E255-P257 WeakPolarHBondContact O-CD 3.41Å; E255-P257 VanDerWaalsContact O-N 3.08Å; P257-E261 HydrophobicContact CB-CB 4.29Å; P257-E261 HydrophobicContact CB-CG 4.23Å; P257-L262 HydrophobicContact CB-CD2 4.12Å; P257-L262 HydrophobicContact CB-CG 4.07Å; P257-L262 HydrophobicContact CG-CD2 3.93Å; P257-L262 HydrophobicContact CG-CG 4.37Å
258A92.6Very high92.6Very high54 Ų5474 Ų7445%0.44638%0.383SS..  trans-61.8154.9172.700000110.9E260 E261 L262A258-E260 VanDerWaalsContact C-N 3.27Å; A258-E260 PolarHBondContact O-N 3.15Å; A258-E261 HydrophobicContact CB-CB 4.24Å; A258-E261 WeakPolarHBondContact O-CB 3.48Å; A258-E261 PolarHBondContact O-N 2.86Å; A258-E261 VanDerWaalsContact O-N 3.1Å; A258-L262 PolarHBondContact O-N 2.91Å
259V91.2Very high92.9Very high73 Ų7373.2 Ų73.244%0.44238%0.379SS..Hα-helixtrans-61.7-39.3-178.7176.60000110.9I207 E261 L262 K263I207-V259 HydrophobicContact CD1-CG1 4.16Å; I207-V259 HydrophobicContact CG1-CG1 4.35Å; V259-E261 VanDerWaalsContact C-N 3.32Å; V259-E261 PolarHBondContact O-N 2.93Å; V259-L262 PolarHBondContact O-N 3.46Å; V259-K263 WeakPolarHBondContact O-CB 3.47Å; V259-K263 PolarHBondContact O-N 2.96Å
260E94.7Very high93.2Very high145 Ų14568.5 Ų68.568%0.67836%0.359SS*.Hα-helixtrans-63.8-37.6176.3-69.366.2-149.200111.8A258 K263 K264A258-E260 VanDerWaalsContact C-N 3.27Å; A258-E260 PolarHBondContact O-N 3.15Å; E260-K263 PolarHBondContact O-N 3.01Å; E260-K264 PolarHBondContact O-N 3.3Å
261E96.7Very high93.5Very high104 Ų10466.7 Ų66.749%0.48635%0.35SS..Hα-helixtrans-70.1-45.9176.3-173.3178.4-173.200111.3P257 A258 V259 K263 K264 L265P257-E261 HydrophobicContact CB-CB 4.29Å; P257-E261 HydrophobicContact CB-CG 4.23Å; A258-E261 HydrophobicContact CB-CB 4.24Å; A258-E261 WeakPolarHBondContact O-CB 3.48Å; A258-E261 PolarHBondContact O-N 2.86Å; A258-E261 VanDerWaalsContact O-N 3.1Å; V259-E261 VanDerWaalsContact C-N 3.32Å; V259-E261 PolarHBondContact O-N 2.93Å; E261-K263 PolarHBondContact O-N 2.89Å; E261-K264 WeakPolarHBondContact O-CB 3.19Å; E261-K264 PolarHBondContact O-N 2.91Å; E261-K264 VanDerWaalsContact O-N 3.13Å; E261-L265 HydrophobicContact CG-CD1 4.29Å; E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 3.44Å
262L96.8Very high93.8Very high0 Ų065.8 Ų65.80%034%0.335CS..Hα-helixtrans-57.6-39.8173-75.8178.3000111.9A203 L204 I207 M256 P257 A258 V259 L266A203-L262 HydrophobicContact CB-CD1 3.74Å; L204-L262 HydrophobicContact CD2-CB 4.14Å; I207-L262 HydrophobicContact CD1-CB 4.11Å; M256-L262 HydrophobicContact CE-CD1 3.7Å; P257-L262 HydrophobicContact CB-CD2 4.12Å; P257-L262 HydrophobicContact CB-CG 4.07Å; P257-L262 HydrophobicContact CG-CD2 3.93Å; P257-L262 HydrophobicContact CG-CG 4.37Å; A258-L262 PolarHBondContact O-N 2.91Å; V259-L262 PolarHBondContact O-N 3.46Å; L262-L266 VanDerWaalsContact O-CB 3.29Å; L262-L266 WeakPolarHBondContact O-CB 3.49Å; L262-L266 PolarHBondContact O-N 3.35Å
263K97.8Very high94.2Very high81 Ų8166 Ų6635%0.35233%0.332SS..Hα-helixtrans-61.4-49.5175.3-173.3174-174.2169.40110.4I207 E211 V259 E260 E261 L265 L266 F267I207-K263 HydrophobicContact CD1-CB 4.06Å; I207-K263 HydrophobicContact CG2-CB 4.34Å; I207-K263 HydrophobicContact CG2-CD 4.46Å; I207-K263 HydrophobicContact CG2-CG 3.98Å; E211-K263 WeakPolarHBondContact OE1-CE 3.33Å; E211-K263 IonicContact OE1-NZ 2.72Å; E211-K263 PolarHBondContact OE1-NZ 3.36Å; V259-K263 WeakPolarHBondContact O-CB 3.47Å; V259-K263 PolarHBondContact O-N 2.96Å; E260-K263 PolarHBondContact O-N 3.01Å; E261-K263 PolarHBondContact O-N 2.89Å; K263-L265 PolarHBondContact O-N 3.29Å; K263-L266 PolarHBondContact O-N 2.99Å; K263-F267 HydrophobicContact CD-CE2 4.49Å; K263-F267 HydrophobicContact CG-CD2 3.9Å; K263-F267 HydrophobicContact CG-CE2 3.84Å; K263-F267 VanDerWaalsContact O-CD2 3.24Å; K263-F267 WeakPolarHBondContact O-CD2 3.49Å; K263-F267 PolarHBondContact O-N 3.42Å; K263-F267 VanDerWaalsContact O-N 3.08Å
264K98Very high94.6Very high137 Ų13764.1 Ų64.160%0.59631%0.312SS*.Hα-helixtrans-56.9-51177.4-171.6-174178.1-163.10111.5E260 E261 L266 F267 E268E260-K264 PolarHBondContact O-N 3.3Å; E261-K264 WeakPolarHBondContact O-CB 3.19Å; E261-K264 PolarHBondContact O-N 2.91Å; E261-K264 VanDerWaalsContact O-N 3.13Å; K264-L266 VanDerWaalsContact C-N 3.33Å; K264-L266 PolarHBondContact O-N 3.41Å; K264-F267 PolarHBondContact O-N 2.9Å; K264-E268 WeakPolarHBondContact CE-OE1 3.42Å; K264-E268 IonicContact NZ-OE1 3.89Å; K264-E268 WeakPolarHBondContact O-CG 3.47Å; K264-E268 PolarHBondContact O-N 2.99Å
265L98.2Very high94.8Very high46 Ų4667.8 Ų67.824%0.24133%0.332CS..Hα-helixtrans-59.5-41.5178.5-69.2172.2000112.4L244 E261 K263 F267 E268 V269L244-L265 HydrophobicContact CD1-CB 4.03Å; L244-L265 HydrophobicContact CD2-CB 3.99Å; E261-L265 HydrophobicContact CG-CD1 4.29Å; E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 3.44Å; K263-L265 PolarHBondContact O-N 3.29Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 2.6Å; L265-E268 PolarHBondContact O-N 2.99Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.35Å
266L98.4Very high94.9Very high0 Ų063.9 Ų63.90%032%0.316CS..Hα-helixtrans-59.7-45.4176.8177.266.1000111.2L204 I207 V208 A240 K241 L244 L262 K263 K264 V269 Y270L204-L266 HydrophobicContact CD2-CB 4.04Å; L204-L266 HydrophobicContact CD2-CD1 4.4Å; L204-L266 HydrophobicContact CD2-CD2 4.28Å; L204-L266 HydrophobicContact CD2-CG 4.48Å; I207-L266 HydrophobicContact CB-CD2 4.46Å; I207-L266 HydrophobicContact CG2-CD2 3.82Å; V208-L266 HydrophobicContact CG2-CD2 3.94Å; A240-L266 HydrophobicContact CB-CD1 3.9Å; K241-L266 HydrophobicContact CB-CD1 4.01Å; L244-L266 HydrophobicContact CD2-CB 4.2Å; L262-L266 VanDerWaalsContact O-CB 3.29Å; L262-L266 WeakPolarHBondContact O-CB 3.49Å; L262-L266 PolarHBondContact O-N 3.35Å; K263-L266 PolarHBondContact O-N 2.99Å; K264-L266 VanDerWaalsContact C-N 3.33Å; K264-L266 PolarHBondContact O-N 3.41Å; L266-V269 PolarHBondContact O-N 3.37Å; L266-Y270 WeakPolarHBondContact O-CB 3.32Å; L266-Y270 PolarHBondContact O-N 2.82Å
267F97.8Very high95Very high62 Ų6265.7 Ų65.727%0.27232%0.321SS..Hα-helixtrans-70.9-33.4179.4-81.6-73.4000112.7E211 L237 K263 K264 L265 Y270 Q271E211-F267 HydrophobicContact CG-CE2 4.13Å; E211-F267 HydrophobicContact CG-CZ 3.78Å; L237-F267 HydrophobicContact CD2-CE1 4.3Å; K263-F267 HydrophobicContact CD-CE2 4.49Å; K263-F267 HydrophobicContact CG-CD2 3.9Å; K263-F267 HydrophobicContact CG-CE2 3.84Å; K263-F267 VanDerWaalsContact O-CD2 3.24Å; K263-F267 WeakPolarHBondContact O-CD2 3.49Å; K263-F267 PolarHBondContact O-N 3.42Å; K263-F267 VanDerWaalsContact O-N 3.08Å; K264-F267 PolarHBondContact O-N 2.9Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 2.6Å; F267-Y270 HydrophobicContact CD1-CD1 4.02Å; F267-Y270 HydrophobicContact CE1-CD1 4.45Å; F267-Y270 PolarHBondContact O-N 2.8Å; F267-Q271 VanDerWaalsContact O-CG 3.26Å; F267-Q271 WeakPolarHBondContact O-CG 3.4Å; F267-Q271 PolarHBondContact O-N 2.86Å
268E97.8Very high94.7Very high97 Ų9770 Ų7045%0.45334%0.342SS..Hα-helixtrans-61.2-48.2171.3-73.4172.9-174.800111.3K264 L265 Y270 Q271 Q272K264-E268 WeakPolarHBondContact CE-OE1 3.42Å; K264-E268 IonicContact NZ-OE1 3.89Å; K264-E268 WeakPolarHBondContact O-CG 3.47Å; K264-E268 PolarHBondContact O-N 2.99Å; L265-E268 PolarHBondContact O-N 2.99Å; E268-Y270 VanDerWaalsContact C-N 3.31Å; E268-Y270 PolarHBondContact O-N 2.77Å; E268-Q271 PolarHBondContact O-N 3.15Å; E268-Q272 WeakPolarHBondContact O-CB 3.19Å; E268-Q272 PolarHBondContact O-N 3.19Å
269V98.1Very high94.1Very high5 Ų570.6 Ų70.63%0.0334%0.343CS..Hα-helixtrans-62.2-40.21761770000111.3A240 L243 L244 L265 L266 Q272 L273A240-V269 HydrophobicContact CB-CB 4.45Å; A240-V269 HydrophobicContact CB-CG1 4.08Å; A240-V269 WeakPolarHBondContact O-CG1 3.47Å; L243-V269 HydrophobicContact CB-CG1 3.97Å; L243-V269 HydrophobicContact CD2-CG1 3.78Å; L243-V269 HydrophobicContact CG-CG1 3.95Å; L244-V269 HydrophobicContact CB-CG2 4.2Å; L244-V269 HydrophobicContact CD1-CG2 4.22Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.35Å; L266-V269 PolarHBondContact O-N 3.37Å; V269-Q272 PolarHBondContact O-N 3.37Å; V269-L273 HydrophobicContact CG1-CD1 4.36Å; V269-L273 WeakPolarHBondContact O-CG 3.48Å; V269-L273 PolarHBondContact O-N 3.09Å
270Y97.5Very high93.5Very high14 Ų1472.1 Ų72.16%0.05535%0.348CS..Hα-helixtrans-62.3-46.4177172.3-122.7000112.8L233 E236 L237 L266 F267 E268 Q272 L273 K274L233-Y270 WeakPolarHBondContact CD1-OH 3.24Å; E236-Y270 HydrophobicContact CB-CD2 4.09Å; E236-Y270 HydrophobicContact CB-CE2 3.51Å; E236-Y270 HydrophobicContact CG-CE2 4.31Å; E236-Y270 WeakPolarHBondContact OE2-CE2 3.36Å; E236-Y270 PolarHBondContact OE2-OH 2.77Å; L237-Y270 HydrophobicContact CD2-CD1 4.24Å; L237-Y270 HydrophobicContact CD2-CD2 4.23Å; L237-Y270 HydrophobicContact CD2-CG 4.03Å; L266-Y270 WeakPolarHBondContact O-CB 3.32Å; L266-Y270 PolarHBondContact O-N 2.82Å; F267-Y270 HydrophobicContact CD1-CD1 4.02Å; F267-Y270 HydrophobicContact CE1-CD1 4.45Å; F267-Y270 PolarHBondContact O-N 2.8Å; E268-Y270 VanDerWaalsContact C-N 3.31Å; E268-Y270 PolarHBondContact O-N 2.77Å; Y270-Q272 VanDerWaalsContact C-N 3.32Å; Y270-Q272 PolarHBondContact O-N 2.98Å; Y270-L273 PolarHBondContact O-N 3.07Å; Y270-K274 HydrophobicContact CE1-CD 4.17Å; Y270-K274 HydrophobicContact CE2-CD 4.14Å; Y270-K274 HydrophobicContact CE2-CG 4.21Å; Y270-K274 PolarHBondContact O-N 3.25Å; Y270-K274 VanDerWaalsContact O-N 3.07Å; Y270-K274 WeakPolarHBondContact OH-CE 3.28Å; Y270-K274 PolarHBondContact OH-NZ 3.15Å
271Q96.5Very high92.6Very high101 Ų10168.7 Ų68.747%0.47234%0.34SS..Hα-helixtrans-65.1-38.9177.5-68.1-63.3-8.300111.4F267 E268 K274 L275F267-Q271 VanDerWaalsContact O-CG 3.26Å; F267-Q271 WeakPolarHBondContact O-CG 3.4Å; F267-Q271 PolarHBondContact O-N 2.86Å; E268-Q271 PolarHBondContact O-N 3.15Å; Q271-K274 WeakPolarHBondContact O-CB 3.26Å; Q271-K274 PolarHBondContact O-N 3.36Å; Q271-L275 WeakPolarHBondContact O-CG 2.96Å; Q271-L275 PolarHBondContact O-N 3.5Å
272Q95.1Very high91.3Very high77 Ų7769.7 Ų69.736%0.3635%0.349SS..Hα-helixtrans-58.7-49.1173.8-173.8179.14.100111.5R247 E268 V269 Y270 K274 L275 D276R247-Q272 VanDerWaalsContact CZ-OE1 3.32Å; E268-Q272 WeakPolarHBondContact O-CB 3.19Å; E268-Q272 PolarHBondContact O-N 3.19Å; V269-Q272 PolarHBondContact O-N 3.37Å; Y270-Q272 VanDerWaalsContact C-N 3.32Å; Y270-Q272 PolarHBondContact O-N 2.98Å; Q272-K274 PolarHBondContact O-N 3.33Å; Q272-L275 PolarHBondContact O-N 3.49Å; Q272-L275 VanDerWaalsContact O-N 3.09Å; Q272-D276 VanDerWaalsContact O-CG 3.26Å; Q272-D276 PolarHBondContact O-N 3.22Å
273L94.4Very high89.5Confident25 Ų2572.2 Ų72.213%0.13138%0.375CS..Hα-helixtrans-59.5-35.1177.2-74.7173.3000112.8E239 A240 L243 V269 Y270 R277E239-L273 HydrophobicContact CG-CD1 4.14Å; A240-L273 HydrophobicContact CB-CD1 4.01Å; L243-L273 HydrophobicContact CD2-CD1 4.3Å; L243-L273 HydrophobicContact CD2-CD2 3.83Å; L243-L273 HydrophobicContact CD2-CG 4.13Å; V269-L273 HydrophobicContact CG1-CD1 4.36Å; V269-L273 WeakPolarHBondContact O-CG 3.48Å; V269-L273 PolarHBondContact O-N 3.09Å; Y270-L273 PolarHBondContact O-N 3.07Å; L273-R277 VanDerWaalsContact O-CG 3.28Å; L273-R277 WeakPolarHBondContact O-CG 3.46Å; L273-R277 PolarHBondContact O-N 3.27Å
274K92.3Very high87.7Confident75 Ų7577.1 Ų77.133%0.32640%0.396SS..Hα-helixtrans-66.4-44.2174-83.8-173.1159.1176.30112.4Y270 Q271 Q272 R277 L278Y270-K274 HydrophobicContact CE1-CD 4.17Å; Y270-K274 HydrophobicContact CE2-CD 4.14Å; Y270-K274 HydrophobicContact CE2-CG 4.21Å; Y270-K274 PolarHBondContact O-N 3.25Å; Y270-K274 VanDerWaalsContact O-N 3.07Å; Y270-K274 WeakPolarHBondContact OH-CE 3.28Å; Y270-K274 PolarHBondContact OH-NZ 3.15Å; Q271-K274 WeakPolarHBondContact O-CB 3.26Å; Q271-K274 PolarHBondContact O-N 3.36Å; Q272-K274 PolarHBondContact O-N 3.33Å; K274-R277 PolarHBondContact O-N 2.93Å; K274-L278 WeakPolarHBondContact O-CG 3.45Å; K274-L278 PolarHBondContact O-N 3.31Å; K274-L278 VanDerWaalsContact O-N 3.15Å
275L91.5Very high85.5Confident111 Ų11177.9 Ų77.958%0.58140%0.403SS*.Hα-helixtrans-63.5-44.4178.2-70.4170.2000111.2Q271 Q272 R277 L278 S279Q271-L275 WeakPolarHBondContact O-CG 2.96Å; Q271-L275 PolarHBondContact O-N 3.5Å; Q272-L275 PolarHBondContact O-N 3.49Å; Q272-L275 VanDerWaalsContact O-N 3.09Å; L275-R277 VanDerWaalsContact C-N 3.29Å; L275-R277 PolarHBondContact O-N 2.75Å; L275-L278 WeakPolarHBondContact O-CB 3.49Å; L275-L278 PolarHBondContact O-N 3.33Å; L275-L278 VanDerWaalsContact O-N 3.08Å; L275-S279 PolarHBondContact O-N 3.08Å; L275-S279 PolarHBondContact O-OG 3.03Å
276D90.4Very high82.9Confident71 Ų7182.3 Ų82.338%0.3843%0.427SS..Hα-helixtrans-58.8-41.1178.8-65.2-17.5000111.4Q272 L278 S279 D280Q272-D276 VanDerWaalsContact O-CG 3.26Å; Q272-D276 PolarHBondContact O-N 3.22Å; D276-L278 PolarHBondContact O-N 3.35Å; D276-S279 WeakPolarHBondContact CA-OG 3.36Å; D276-S279 PolarHBondContact O-N 3.09Å; D276-S279 PolarHBondContact O-OG 3.28Å; D276-D280 PolarHBondContact O-N 3.43Å
277R87.9Confident80.4Confident83 Ų8387.2 Ų87.231%0.31346%0.459SS..Hα-helixtrans-66.9-35.3175.9-72172.2-176.9-175.31.3113.6E236 E239 L273 K274 L275 S281E236-R277 IonicContact OE1-NH1 3.36Å; E236-R277 PolarHBondContact OE1-NH1 2.71Å; E239-R277 IonicContact OE1-NH2 2.86Å; E239-R277 PolarHBondContact OE1-NH2 2.93Å; E239-R277 IonicContact OE2-CZ 3.81Å; E239-R277 IonicContact OE2-NH2 2.6Å; E239-R277 PolarHBondContact OE2-NH2 3.38Å; L273-R277 VanDerWaalsContact O-CG 3.28Å; L273-R277 WeakPolarHBondContact O-CG 3.46Å; L273-R277 PolarHBondContact O-N 3.27Å; K274-R277 PolarHBondContact O-N 2.93Å; L275-R277 VanDerWaalsContact C-N 3.29Å; L275-R277 PolarHBondContact O-N 2.75Å; R277-S281 WeakPolarHBondContact O-CB 3.39Å; R277-S281 PolarHBondContact O-N 3.08Å; R277-S281 VanDerWaalsContact O-N 3.08Å; R277-S281 PolarHBondContact O-OG 2.74Å
278L84.8Confident77.9Confident110 Ų11089.3 Ų89.358%0.57648%0.479SS*.Hα-helixtrans-69.1-40.9175.8-71170.8000110.6K274 L275 D276 S281 L282K274-L278 WeakPolarHBondContact O-CG 3.45Å; K274-L278 PolarHBondContact O-N 3.31Å; K274-L278 VanDerWaalsContact O-N 3.15Å; L275-L278 WeakPolarHBondContact O-CB 3.49Å; L275-L278 PolarHBondContact O-N 3.33Å; L275-L278 VanDerWaalsContact O-N 3.08Å; D276-L278 PolarHBondContact O-N 3.35Å; L278-S281 PolarHBondContact O-N 2.96Å; L278-L282 PolarHBondContact O-N 2.96Å
279S81.3Confident75.7Confident65 Ų6590 Ų9046%0.45549%0.494SS..Hα-helixtrans-64.1-40.6174.248.90000112.6L275 D276 S281 L282 G283L275-S279 PolarHBondContact O-N 3.08Å; L275-S279 PolarHBondContact O-OG 3.03Å; D276-S279 WeakPolarHBondContact CA-OG 3.36Å; D276-S279 PolarHBondContact O-N 3.09Å; D276-S279 PolarHBondContact O-OG 3.28Å; S279-S281 VanDerWaalsContact C-N 3.27Å; S279-S281 PolarHBondContact O-N 3.25Å; S279-L282 PolarHBondContact O-N 3.37Å; S279-G283 PolarHBondContact O-N 3.3Å
280D78.4Confident73.3Confident105 Ų10598 Ų9856%0.56153%0.531SS*.Hα-helixtrans-64-34.2175.8-75.2-13.2000112.2D276 K284D276-D280 PolarHBondContact O-N 3.43Å; D280-K284 WeakPolarHBondContact O-CG 3.39Å; D280-K284 PolarHBondContact O-N 3.38Å
281S76.1Confident70.8Confident73 Ų73102.6 Ų102.651%0.5157%0.566SS.*Hα-helixtrans-71.3-38.7177.7-580000111.9R277 L278 S279R277-S281 WeakPolarHBondContact O-CB 3.39Å; R277-S281 PolarHBondContact O-N 3.08Å; R277-S281 VanDerWaalsContact O-N 3.08Å; R277-S281 PolarHBondContact O-OG 2.74Å; L278-S281 PolarHBondContact O-N 2.96Å; S279-S281 VanDerWaalsContact C-N 3.27Å; S279-S281 PolarHBondContact O-N 3.25Å
282L68.9Low68Low126 Ų126105.7 Ų105.766%0.6658%0.584SS**Hα-helixtrans-71.1-38.6174.6-74161.5000111.8L278 S279 K284 M285L278-L282 PolarHBondContact O-N 2.96Å; S279-L282 PolarHBondContact O-N 3.37Å; L282-K284 VanDerWaalsContact C-N 3.28Å; L282-K284 PolarHBondContact O-N 3.13Å; L282-M285 PolarHBondContact O-N 2.86Å; L282-M285 VanDerWaalsContact O-N 3.13Å
283G59.2Low65.7Low53 Ų53111.9 Ų111.955%0.54663%0.628SS.*Hα-helixtrans-62.8-32.8177.500000113.3S279 M285S279-G283 PolarHBondContact O-N 3.3Å; G283-M285 VanDerWaalsContact C-N 3.29Å; G283-M285 PolarHBondContact O-N 3.43Å
284K58.4Low64.2Low183 Ų183116.2 Ų116.280%0.79665%0.653SS**THydrogen-bonded Turntrans-75.3-11.6176-72.8179.1-175.7178.60114.3D280 L282D280-K284 WeakPolarHBondContact O-CG 3.39Å; D280-K284 PolarHBondContact O-N 3.38Å; L282-K284 VanDerWaalsContact C-N 3.28Å; L282-K284 PolarHBondContact O-N 3.13Å
285M52Low62.7Low153 Ų153118.4 Ų118.475%0.75467%0.67SS**THydrogen-bonded Turntrans-88.6-2178.6-76.7-165.5178.700114.6L282 G283 P287L282-M285 PolarHBondContact O-N 2.86Å; L282-M285 VanDerWaalsContact O-N 3.13Å; G283-M285 VanDerWaalsContact C-N 3.29Å; G283-M285 PolarHBondContact O-N 3.43Å; M285-P287 WeakPolarHBondContact O-CD 3.01Å
286N44.1Very low61.1Low139 Ų139118.8 Ų118.874%0.74368%0.675SS**  trans-99.990.8172.8-77.4-25.1000110.6
287P45Very low59.4Low103 Ų103121.6 Ų121.667%0.66969%0.692SS**  trans-66.2145.9162.529.5-31000108.6M285 S289M285-P287 WeakPolarHBondContact O-CD 3.01Å; P287-S289 PolarHBondContact O-N 2.92Å
288P47.2Very low57.7Low106 Ų106124 Ų12469%0.68872%0.716SS**  trans-59.8117.617725.7-32.5000108.4H290P288-H290 PolarHBondContact O-N 3.04Å
289S50.2Low55.8Low111 Ų111124.9 Ų124.978%0.77673%0.725SS**  trans-56.1106.1165.349.10000107.2P287 S291P287-S289 PolarHBondContact O-N 2.92Å; S289-S291 PolarHBondContact O-N 2.98Å
290H47.5Very low54Low174 Ų174129.2 Ų129.281%0.80674%0.744SS**  trans-53.3110169.7-78.6-79.3000107.8P288 L292P288-H290 PolarHBondContact O-N 3.04Å; H290-L292 PolarHBondContact O-N 2.96Å
291S45.2Very low52.2Low111 Ų111131.1 Ų131.178%0.77676%0.758SS**  trans-62.199.7168.646.80000108S289 T293S289-S291 PolarHBondContact O-N 2.98Å; S291-T293 PolarHBondContact O-N 3.42Å
292L39Very low50.2Low165 Ų165135.9 Ų135.986%0.86478%0.779SS**  trans-77.797.5161.5-79.9157.9000107.7H290H290-L292 PolarHBondContact O-N 2.96Å
293T45.2Very low48.5Very low207 Ų207136.8 Ų136.8100%1.2779%0.79SS**  trans-165.50149.843.40000108.9S291S291-T293 PolarHBondContact O-N 3.42Å

Retrieved 293 of 293 residues in 78.5 ms (Link to these results)