A0A077YXG9_TRITR Loading...

Putative cytochrome p450 4v2

AlphaFold DB , UniProt , Accession A0A077YXG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 506 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
1M70.5Confident82.4Confident201 Ų201113.2 Ų113.299%0.9962%0.617SS**  0-60.10-80.2170.249.200113.8A3 M4 A5M1-A3 PolarHBondContact O-N 2.89Å; M1-M4 PolarHBondContact O-N 3.05Å; M1-M4 VanDerWaalsContact O-N 3.12Å; M1-A5 PolarHBondContact O-N 3.38Å; M1-A5 VanDerWaalsContact O-N 3.11Å
2R76.9Confident83Confident221 Ų221111.2 Ų111.283%0.83460%0.604SS**Hα-helixtrans-55.7-42.7-177.9-72.6-175.7178.5176.6-0.2114.2M4 A5 I6R2-M4 PolarHBondContact O-N 3.32Å; R2-A5 PolarHBondContact O-N 2.89Å; R2-I6 WeakPolarHBondContact O-CG1 3.32Å; R2-I6 PolarHBondContact O-N 2.5Å
3A75.9Confident83.6Confident73 Ų73109.8 Ų109.860%0.60360%0.601SS**Hα-helixtrans-62.9-37.2177.300000113.6M1 S7M1-A3 PolarHBondContact O-N 2.89Å; A3-S7 WeakPolarHBondContact O-CB 3.49Å; A3-S7 PolarHBondContact O-N 3.49Å; A3-S7 PolarHBondContact O-OG 2.66Å
4M78.7Confident84Confident149 Ų149108.4 Ų108.473%0.73460%0.597SS**Hα-helixtrans-66.7-42.4174.5-100.6-169.9-95.900111.5M1 R2 I6 S7 F8M1-M4 PolarHBondContact O-N 3.05Å; M1-M4 VanDerWaalsContact O-N 3.12Å; R2-M4 PolarHBondContact O-N 3.32Å; M4-I6 PolarHBondContact O-N 2.68Å; M4-S7 PolarHBondContact O-N 3.41Å; M4-F8 WeakPolarHBondContact O-CB 3.2Å; M4-F8 PolarHBondContact O-N 2.79Å
5A81.3Confident84.2Confident63 Ų63107.2 Ų107.252%0.52159%0.589SS.*Hα-helixtrans-63.6-41.5178.100000112.1M1 R2 F8 A9M1-A5 PolarHBondContact O-N 3.38Å; M1-A5 VanDerWaalsContact O-N 3.11Å; R2-A5 PolarHBondContact O-N 2.89Å; A5-F8 PolarHBondContact O-N 3.39Å; A5-A9 WeakPolarHBondContact O-CB 3.28Å; A5-A9 PolarHBondContact O-N 3.26Å
6I84.6Confident84.4Confident112 Ų112103.6 Ų103.657%0.57458%0.578SS**Hα-helixtrans-64.9-45.5175.9-65.2166.1000110.5R2 M4 F8 A9 V10R2-I6 WeakPolarHBondContact O-CG1 3.32Å; R2-I6 PolarHBondContact O-N 2.5Å; M4-I6 PolarHBondContact O-N 2.68Å; I6-F8 VanDerWaalsContact C-N 3.32Å; I6-F8 PolarHBondContact O-N 2.99Å; I6-A9 PolarHBondContact O-N 3.03Å; I6-V10 WeakPolarHBondContact O-CG2 3.21Å; I6-V10 PolarHBondContact O-N 3.45Å
7S83.7Confident84.4Confident74 Ų74102.4 Ų102.452%0.51757%0.574SS.*Hα-helixtrans-60.6-42.5178.5-57.50000111.8A3 M4 V10 V11A3-S7 WeakPolarHBondContact O-CB 3.49Å; A3-S7 PolarHBondContact O-N 3.49Å; A3-S7 PolarHBondContact O-OG 2.66Å; M4-S7 PolarHBondContact O-N 3.41Å; S7-V10 PolarHBondContact O-N 2.8Å; S7-V11 WeakPolarHBondContact O-CG2 3.16Å; S7-V11 PolarHBondContact O-N 2.94Å; S7-V11 VanDerWaalsContact O-N 3.08Å
8F87.3Confident84.2Confident137 Ų137104.2 Ų104.260%0.60158%0.575SS**Hα-helixtrans-64.5-42.2176.4-173.6-103.7000112.4M4 A5 I6 V10 V11 L12M4-F8 WeakPolarHBondContact O-CB 3.2Å; M4-F8 PolarHBondContact O-N 2.79Å; A5-F8 PolarHBondContact O-N 3.39Å; I6-F8 VanDerWaalsContact C-N 3.32Å; I6-F8 PolarHBondContact O-N 2.99Å; F8-V10 PolarHBondContact O-N 2.93Å; F8-V11 PolarHBondContact O-N 2.82Å; F8-L12 HydrophobicContact CD1-CD1 3.78Å; F8-L12 HydrophobicContact CD1-CG 4.4Å; F8-L12 HydrophobicContact CE1-CD1 3.37Å; F8-L12 HydrophobicContact CE1-CG 4.09Å; F8-L12 HydrophobicContact CZ-CD1 3.98Å; F8-L12 HydrophobicContact CZ-CG 4.3Å; F8-L12 WeakPolarHBondContact O-CG 3.28Å; F8-L12 PolarHBondContact O-N 3.04Å
9A87.7Confident84.1Confident49 Ų49103.1 Ų103.141%0.40557%0.567SS.*Hα-helixtrans-62.6-41.2176.200000112.2A5 I6 L12 V13A5-A9 WeakPolarHBondContact O-CB 3.28Å; A5-A9 PolarHBondContact O-N 3.26Å; I6-A9 PolarHBondContact O-N 3.03Å; A9-L12 PolarHBondContact O-N 3.01Å; A9-V13 WeakPolarHBondContact O-CG2 3.16Å; A9-V13 PolarHBondContact O-N 2.73Å
10V89.3Confident84Confident84 Ų84102.1 Ų102.151%0.50956%0.564SS.*Hα-helixtrans-62.7-45.9176.2172.10000111I6 S7 F8 L12 V13 V14I6-V10 WeakPolarHBondContact O-CG2 3.21Å; I6-V10 PolarHBondContact O-N 3.45Å; S7-V10 PolarHBondContact O-N 2.8Å; F8-V10 PolarHBondContact O-N 2.93Å; V10-L12 VanDerWaalsContact C-N 3.32Å; V10-L12 PolarHBondContact O-N 3.42Å; V10-V13 PolarHBondContact O-N 3.32Å; V10-V14 HydrophobicContact CG1-CG2 4.46Å; V10-V14 WeakPolarHBondContact O-CG2 3.38Å; V10-V14 PolarHBondContact O-N 3.05Å
11V90.3Very high83.7Confident82 Ų82101.8 Ų101.850%0.49756%0.558SS.*Hα-helixtrans-59.8-41.9177171.10000111.4S7 F8 V14 L15S7-V11 WeakPolarHBondContact O-CG2 3.16Å; S7-V11 PolarHBondContact O-N 2.94Å; S7-V11 VanDerWaalsContact O-N 3.08Å; F8-V11 PolarHBondContact O-N 2.82Å; V11-V14 PolarHBondContact O-N 3.3Å; V11-L15 HydrophobicContact CG1-CD1 3.82Å; V11-L15 WeakPolarHBondContact O-CB 3.11Å; V11-L15 WeakPolarHBondContact O-CG 3.45Å; V11-L15 PolarHBondContact O-N 2.96Å
12L89.9Confident83.8Confident89 Ų8994.9 Ų94.947%0.46652%0.521SS..Hα-helixtrans-63.9-41.3176.3-77.7176000112.9F8 A9 V10 L15 A16F8-L12 HydrophobicContact CD1-CD1 3.78Å; F8-L12 HydrophobicContact CD1-CG 4.4Å; F8-L12 HydrophobicContact CE1-CD1 3.37Å; F8-L12 HydrophobicContact CE1-CG 4.09Å; F8-L12 HydrophobicContact CZ-CD1 3.98Å; F8-L12 HydrophobicContact CZ-CG 4.3Å; F8-L12 WeakPolarHBondContact O-CG 3.28Å; F8-L12 PolarHBondContact O-N 3.04Å; A9-L12 PolarHBondContact O-N 3.01Å; V10-L12 VanDerWaalsContact C-N 3.32Å; V10-L12 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.04Å; L12-A16 PolarHBondContact O-N 2.78Å
13V91Very high83.7Confident93 Ų9390 Ų9056%0.56451%0.506SS*.Hα-helixtrans-66.2-40.4177172.50000111.1A9 V10 A16 T17A9-V13 WeakPolarHBondContact O-CG2 3.16Å; A9-V13 PolarHBondContact O-N 2.73Å; V10-V13 PolarHBondContact O-N 3.32Å; V13-A16 PolarHBondContact O-N 2.87Å; V13-T17 HydrophobicContact CG1-CG2 4.43Å; V13-T17 WeakPolarHBondContact O-CB 3.29Å; V13-T17 WeakPolarHBondContact O-CG2 3.45Å; V13-T17 PolarHBondContact O-N 2.63Å; V13-T17 PolarHBondContact O-OG1 3.11Å
14V89.1Confident83.7Confident90 Ų9091 Ų9155%0.54550%0.501SS..Hα-helixtrans-64.3-43.8175.4173.30000111.1V10 V11 T17 F18V10-V14 HydrophobicContact CG1-CG2 4.46Å; V10-V14 WeakPolarHBondContact O-CG2 3.38Å; V10-V14 PolarHBondContact O-N 3.05Å; V11-V14 PolarHBondContact O-N 3.3Å; V14-T17 WeakPolarHBondContact CA-OG1 3.29Å; V14-T17 PolarHBondContact O-OG1 3.22Å; V14-F18 WeakPolarHBondContact O-CB 3.19Å; V14-F18 PolarHBondContact O-N 2.81Å
15L87.2Confident83.3Confident91 Ų9191 Ų9148%0.47649%0.493SS..Hα-helixtrans-62.9-45.6174.8-80.5162.6000111.7V11 L12 F18 I19V11-L15 HydrophobicContact CG1-CD1 3.82Å; V11-L15 WeakPolarHBondContact O-CB 3.11Å; V11-L15 WeakPolarHBondContact O-CG 3.45Å; V11-L15 PolarHBondContact O-N 2.96Å; L12-L15 PolarHBondContact O-N 3.45Å; L15-F18 PolarHBondContact O-N 3.17Å; L15-I19 WeakPolarHBondContact O-CB 3.49Å; L15-I19 WeakPolarHBondContact O-CD1 3.45Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 3.08Å
16A86.5Confident82.6Confident49 Ų4988.7 Ų88.741%0.40547%0.472SS..Hα-helixtrans-63.3-43.8179.400000112L12 V13 I19 V20L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.04Å; L12-A16 PolarHBondContact O-N 2.78Å; V13-A16 PolarHBondContact O-N 2.87Å; A16-I19 PolarHBondContact O-N 3.35Å; A16-V20 WeakPolarHBondContact O-CB 3.43Å; A16-V20 VanDerWaalsContact O-CG2 3.28Å; A16-V20 WeakPolarHBondContact O-CG2 3.29Å; A16-V20 PolarHBondContact O-N 3.21Å
17T85.6Confident81.9Confident84 Ų8491.2 Ų91.252%0.51547%0.474SS..Hα-helixtrans-64.7-39.9176.148.70000111.9V13 V14 V20 H21V13-T17 HydrophobicContact CG1-CG2 4.43Å; V13-T17 WeakPolarHBondContact O-CB 3.29Å; V13-T17 WeakPolarHBondContact O-CG2 3.45Å; V13-T17 PolarHBondContact O-N 2.63Å; V13-T17 PolarHBondContact O-OG1 3.11Å; V14-T17 WeakPolarHBondContact CA-OG1 3.29Å; V14-T17 PolarHBondContact O-OG1 3.22Å; T17-V20 PolarHBondContact O-N 2.76Å; T17-H21 VanDerWaalsContact O-CB 3.29Å; T17-H21 WeakPolarHBondContact O-CB 3.49Å; T17-H21 PolarHBondContact O-N 3.31Å
18F80.9Confident81.2Confident134 Ų13495 Ų9559%0.58848%0.481SS*.Hα-helixtrans-61.9-45.6173.3-172.1-94.9000111.8V14 L15 H21 W22V14-F18 WeakPolarHBondContact O-CB 3.19Å; V14-F18 PolarHBondContact O-N 2.81Å; L15-F18 PolarHBondContact O-N 3.17Å; F18-H21 PolarHBondContact O-N 2.89Å; F18-W22 WeakPolarHBondContact O-CB 3.3Å; F18-W22 PolarHBondContact O-N 2.77Å
19I81.2Confident80Confident83 Ų8389.4 Ų89.443%0.42646%0.458SS..Hα-helixtrans-62-46.6177.1-69.5165000110.8L15 A16 W22 F23L15-I19 WeakPolarHBondContact O-CB 3.49Å; L15-I19 WeakPolarHBondContact O-CD1 3.45Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 3.08Å; A16-I19 PolarHBondContact O-N 3.35Å; I19-W22 PolarHBondContact O-N 2.79Å; I19-F23 HydrophobicContact CG2-CD2 3.74Å; I19-F23 HydrophobicContact CG2-CE2 3.96Å; I19-F23 WeakPolarHBondContact O-CB 3.49Å; I19-F23 WeakPolarHBondContact O-CD2 3.24Å; I19-F23 PolarHBondContact O-N 3.38Å
20V82Confident78.9Confident84 Ų8492.4 Ų92.451%0.50946%0.458SS..Hα-helixtrans-62.7-47.1178.6170.20000110.9A16 T17 W22 F23 L24A16-V20 WeakPolarHBondContact O-CB 3.43Å; A16-V20 VanDerWaalsContact O-CG2 3.28Å; A16-V20 WeakPolarHBondContact O-CG2 3.29Å; A16-V20 PolarHBondContact O-N 3.21Å; T17-V20 PolarHBondContact O-N 2.76Å; V20-W22 VanDerWaalsContact C-N 3.31Å; V20-W22 PolarHBondContact O-N 2.65Å; V20-F23 PolarHBondContact O-N 3.06Å; V20-L24 HydrophobicContact CG1-CD1 4Å; V20-L24 HydrophobicContact CG1-CG 4.33Å; V20-L24 WeakPolarHBondContact O-CB 3.42Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 2.68Å
21H77.7Confident77.9Confident95 Ų9593.6 Ų93.644%0.4446%0.458SS..Hα-helixtrans-61-42.1177.5-175.964.7000112T17 F18 L24 R25T17-H21 VanDerWaalsContact O-CB 3.29Å; T17-H21 WeakPolarHBondContact O-CB 3.49Å; T17-H21 PolarHBondContact O-N 3.31Å; F18-H21 PolarHBondContact O-N 2.89Å; H21-L24 PolarHBondContact O-N 2.87Å; H21-R25 VanDerWaalsContact NE2-CZ 3.33Å; H21-R25 PolarHBondContact NE2-NE 3.27Å; H21-R25 VanDerWaalsContact NE2-NE 3.15Å; H21-R25 PolarHBondContact NE2-NH2 3.06Å; H21-R25 WeakPolarHBondContact O-CG 3.47Å; H21-R25 PolarHBondContact O-N 3.12Å
22W73.1Confident76.7Confident57 Ų5792.1 Ų92.122%0.21645%0.447CS..Hα-helixtrans-61-46.7174.5179.481.3000111.7F18 I19 V20 L24 R25 L26 V44 H77F18-W22 WeakPolarHBondContact O-CB 3.3Å; F18-W22 PolarHBondContact O-N 2.77Å; I19-W22 PolarHBondContact O-N 2.79Å; V20-W22 VanDerWaalsContact C-N 3.31Å; V20-W22 PolarHBondContact O-N 2.65Å; W22-L24 PolarHBondContact O-N 3.38Å; W22-R25 PolarHBondContact O-N 3Å; W22-L26 HydrophobicContact CD2-CD1 3.37Å; W22-L26 HydrophobicContact CE3-CD1 3.48Å; W22-L26 VanDerWaalsContact CE3-CD1 3.48Å; W22-L26 HydrophobicContact CG-CD1 4.13Å; W22-L26 HydrophobicContact CH2-CD1 3.37Å; W22-L26 HydrophobicContact CZ2-CD1 3.3Å; W22-L26 HydrophobicContact CZ3-CD1 3.47Å; W22-L26 VanDerWaalsContact CZ3-CD1 3.47Å; W22-L26 WeakPolarHBondContact O-CB 3.18Å; W22-L26 PolarHBondContact O-N 3.21Å; W22-V44 HydrophobicContact CH2-CG2 3.59Å; W22-V44 HydrophobicContact CZ2-CG2 4.12Å; W22-H77 AromaticContact CD1-CE1 3.29Å; W22-H77 AromaticContact CD1-ND1 3.77Å; W22-H77 AromaticContact CD1-NE2 3.93Å; W22-H77 AromaticContact NE1-CE1 3.07Å; W22-H77 PolarHBondContact NE1-CE1 3.18Å; W22-H77 AromaticContact NE1-ND1 3.51Å
23F74.7Confident75.3Confident118 Ų11888.7 Ų88.752%0.51843%0.43SS..Hα-helixtrans-62.4-41.1175.2-98.4-79.8000113I19 V20 L26 R27I19-F23 HydrophobicContact CG2-CD2 3.74Å; I19-F23 HydrophobicContact CG2-CE2 3.96Å; I19-F23 WeakPolarHBondContact O-CB 3.49Å; I19-F23 WeakPolarHBondContact O-CD2 3.24Å; I19-F23 PolarHBondContact O-N 3.38Å; V20-F23 PolarHBondContact O-N 3.06Å; F23-L26 WeakPolarHBondContact O-CB 3.29Å; F23-L26 PolarHBondContact O-N 2.98Å; F23-R27 WeakPolarHBondContact O-CB 3.48Å; F23-R27 PolarHBondContact O-N 3.45Å
24L76.1Confident74Confident95 Ų9588.9 Ų88.950%0.49743%0.428SS..Hα-helixtrans-65.2-41.2177.3-72.2174.8000111.6V20 H21 W22 R27 K28V20-L24 HydrophobicContact CG1-CD1 4Å; V20-L24 HydrophobicContact CG1-CG 4.33Å; V20-L24 WeakPolarHBondContact O-CB 3.42Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 2.68Å; H21-L24 PolarHBondContact O-N 2.87Å; W22-L24 PolarHBondContact O-N 3.38Å; L24-R27 PolarHBondContact O-N 2.93Å; L24-K28 PolarHBondContact O-N 2.78Å
25R69.6Low72.8Confident147 Ų14791.2 Ų91.256%0.55543%0.431SS*.Hα-helixtrans-61.6-48172.6-77.7-174.1176.3-172.10.5111.2H21 W22 R27 K28 L29H21-R25 VanDerWaalsContact NE2-CZ 3.33Å; H21-R25 PolarHBondContact NE2-NE 3.27Å; H21-R25 VanDerWaalsContact NE2-NE 3.15Å; H21-R25 PolarHBondContact NE2-NH2 3.06Å; H21-R25 WeakPolarHBondContact O-CG 3.47Å; H21-R25 PolarHBondContact O-N 3.12Å; W22-R25 PolarHBondContact O-N 3Å; R25-R27 VanDerWaalsContact C-N 3.3Å; R25-R27 PolarHBondContact O-N 2.9Å; R25-K28 PolarHBondContact O-N 3.11Å; R25-L29 WeakPolarHBondContact O-CB 3.28Å; R25-L29 PolarHBondContact O-N 3.41Å
26L67.4Low71.4Confident16 Ų1688.8 Ų88.88%0.08442%0.418CS..Hα-helixtrans-58.4-39.1175.6-87.6156.5000113.1W22 F23 L29 R30 Y41W22-L26 HydrophobicContact CD2-CD1 3.37Å; W22-L26 HydrophobicContact CE3-CD1 3.48Å; W22-L26 VanDerWaalsContact CE3-CD1 3.48Å; W22-L26 HydrophobicContact CG-CD1 4.13Å; W22-L26 HydrophobicContact CH2-CD1 3.37Å; W22-L26 HydrophobicContact CZ2-CD1 3.3Å; W22-L26 HydrophobicContact CZ3-CD1 3.47Å; W22-L26 VanDerWaalsContact CZ3-CD1 3.47Å; W22-L26 WeakPolarHBondContact O-CB 3.18Å; W22-L26 PolarHBondContact O-N 3.21Å; F23-L26 WeakPolarHBondContact O-CB 3.29Å; F23-L26 PolarHBondContact O-N 2.98Å; L26-L29 WeakPolarHBondContact O-CB 3.29Å; L26-L29 PolarHBondContact O-N 3.2Å; L26-R30 VanDerWaalsContact O-CB 3.22Å; L26-R30 WeakPolarHBondContact O-CB 3.38Å; L26-R30 PolarHBondContact O-N 3.4Å; L26-Y41 HydrophobicContact CD2-CE1 3.68Å; L26-Y41 WeakPolarHBondContact CD2-OH 3.46Å
27R69.9Low69.8Low165 Ų16595.1 Ų95.162%0.62344%0.439SS*.Hα-helixtrans-63.9-46.2178.1-174.8179.2176.6173.10.7111.7F23 L24 R25 L29 R30 Q31F23-R27 WeakPolarHBondContact O-CB 3.48Å; F23-R27 PolarHBondContact O-N 3.45Å; L24-R27 PolarHBondContact O-N 2.93Å; R25-R27 VanDerWaalsContact C-N 3.3Å; R25-R27 PolarHBondContact O-N 2.9Å; R27-L29 VanDerWaalsContact C-N 3.28Å; R27-L29 PolarHBondContact O-N 3.48Å; R27-R30 PolarHBondContact O-N 2.81Å; R27-Q31 WeakPolarHBondContact O-CG 3.5Å; R27-Q31 PolarHBondContact O-N 3.42Å
28K67.8Low68.5Low152 Ų15292.8 Ų92.866%0.66143%0.432SS*.Hα-helixtrans-59.8-42.9175.7-72.4-176.1178.9-176.20111.2L24 R25 Q31 L32L24-K28 PolarHBondContact O-N 2.78Å; R25-K28 PolarHBondContact O-N 3.11Å; K28-Q31 PolarHBondContact O-N 3.4Å; K28-L32 WeakPolarHBondContact O-CG 3.43Å; K28-L32 PolarHBondContact O-N 2.98Å
29L63.9Low67.3Low21 Ų2187.1 Ų87.111%0.1141%0.408CS..Hα-helixtrans-61.8-46.8178.4-153.761.7000111.9R25 L26 R27 L32 V33 L72 P79R25-L29 WeakPolarHBondContact O-CB 3.28Å; R25-L29 PolarHBondContact O-N 3.41Å; L26-L29 WeakPolarHBondContact O-CB 3.29Å; L26-L29 PolarHBondContact O-N 3.2Å; R27-L29 VanDerWaalsContact C-N 3.28Å; R27-L29 PolarHBondContact O-N 3.48Å; L29-L32 WeakPolarHBondContact O-CB 3.19Å; L29-L32 PolarHBondContact O-N 3.28Å; L29-L32 VanDerWaalsContact O-N 3.17Å; L29-V33 WeakPolarHBondContact O-CG2 3.47Å; L29-V33 PolarHBondContact O-N 2.83Å; L29-L72 HydrophobicContact CD1-CD2 4.3Å; L29-L72 HydrophobicContact CD2-CD1 4Å; L29-L72 HydrophobicContact CD2-CD2 3.12Å; L29-L72 HydrophobicContact CD2-CG 4.2Å; L29-L72 HydrophobicContact CG-CD1 3.99Å; L29-L72 HydrophobicContact CG-CD2 3.65Å; L29-L72 HydrophobicContact CG-CG 4.43Å; L29-P79 HydrophobicContact CD1-CB 3.4Å; L29-P79 VanDerWaalsContact CD1-CB 3.4Å; L29-P79 HydrophobicContact CD1-CG 3.37Å; L29-P79 HydrophobicContact CG-CB 4.24Å
30R64Low66.1Low112 Ų11293.2 Ų93.242%0.42343%0.426SS..Hα-helixtrans-63.7-41.6178.1-174.7174-175.8172.15.7112L26 R27 L32 V33 D34L26-R30 VanDerWaalsContact O-CB 3.22Å; L26-R30 WeakPolarHBondContact O-CB 3.38Å; L26-R30 PolarHBondContact O-N 3.4Å; R27-R30 PolarHBondContact O-N 2.81Å; R30-L32 PolarHBondContact O-N 3.16Å; R30-V33 PolarHBondContact O-N 2.79Å; R30-D34 VanDerWaalsContact CG-OD2 3.26Å; R30-D34 WeakPolarHBondContact CG-OD2 3.41Å; R30-D34 IonicContact NE-OD2 3.43Å; R30-D34 VanDerWaalsContact O-CB 3.24Å; R30-D34 WeakPolarHBondContact O-CB 3.23Å; R30-D34 PolarHBondContact O-N 3.44Å
31Q68.2Low65Low108 Ų10890.1 Ų90.151%0.50541%0.405SS..Hα-helixtrans-61.1-26.4175.2-76.3177.4-18.600113.6R27 K28 K35R27-Q31 WeakPolarHBondContact O-CG 3.5Å; R27-Q31 PolarHBondContact O-N 3.42Å; K28-Q31 PolarHBondContact O-N 3.4Å; Q31-K35 WeakPolarHBondContact O-CG 3.49Å
32L64.1Low64.2Low52 Ų5288.4 Ų88.427%0.27240%0.399SS..Hα-helixtrans-82.5-47.4173.6-66.8167.7000111K28 L29 R30 K35 F392 P395K28-L32 WeakPolarHBondContact O-CG 3.43Å; K28-L32 PolarHBondContact O-N 2.98Å; L29-L32 WeakPolarHBondContact O-CB 3.19Å; L29-L32 PolarHBondContact O-N 3.28Å; L29-L32 VanDerWaalsContact O-N 3.17Å; R30-L32 PolarHBondContact O-N 3.16Å; L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 3.06Å; L32-F392 WeakPolarHBondContact O-CE2 3.44Å; L32-P395 HydrophobicContact CD1-CG 3.71Å
33V61.3Low63.5Low16 Ų1688.4 Ų88.410%0.09741%0.406CS..Hα-helixtrans-67.6-38-177.4174.40000112.3L29 R30 K35 I36 C70 L72L29-V33 WeakPolarHBondContact O-CG2 3.47Å; L29-V33 PolarHBondContact O-N 2.83Å; R30-V33 PolarHBondContact O-N 2.79Å; V33-K35 PolarHBondContact O-N 3Å; V33-K35 VanDerWaalsContact O-N 3.13Å; V33-I36 WeakPolarHBondContact O-CB 3.25Å; V33-I36 PolarHBondContact O-N 3.24Å; V33-C70 HydrophobicContact CG1-CB 4.04Å; V33-L72 HydrophobicContact CG2-CD1 3.89Å
34D63.7Low62.7Low98 Ų9886.5 Ų86.552%0.52440%0.404SS..THydrogen-bonded Turntrans-64.6-17.2179-72.7-10.2000112.4R30 I36R30-D34 VanDerWaalsContact CG-OD2 3.26Å; R30-D34 WeakPolarHBondContact CG-OD2 3.41Å; R30-D34 IonicContact NE-OD2 3.43Å; R30-D34 VanDerWaalsContact O-CB 3.24Å; R30-D34 WeakPolarHBondContact O-CB 3.23Å; R30-D34 PolarHBondContact O-N 3.44Å; D34-I36 VanDerWaalsContact C-N 3.29Å
35K63.3Low61.7Low138 Ų13885.5 Ų85.560%0.640%0.399SS*.THydrogen-bonded Turntrans-79.5-12.7172.4-65.9178.8179.3-172.30113.1Q31 L32 V33 F392Q31-K35 WeakPolarHBondContact O-CG 3.49Å; L32-K35 WeakPolarHBondContact O-CB 3.44Å; L32-K35 PolarHBondContact O-N 3.06Å; V33-K35 PolarHBondContact O-N 3Å; V33-K35 VanDerWaalsContact O-N 3.13Å; K35-F392 HydrophobicContact CB-CD2 4.18Å; K35-F392 HydrophobicContact CB-CE2 4.31Å
36I58Low61.3Low40 Ų4078.5 Ų78.521%0.20537%0.372CS..SBendtrans-100.9131.2-178.1-53158.3000107.5V33 D34 G38 C70 L81 F392V33-I36 WeakPolarHBondContact O-CB 3.25Å; V33-I36 PolarHBondContact O-N 3.24Å; D34-I36 VanDerWaalsContact C-N 3.29Å; I36-G38 PolarHBondContact O-N 2.95Å; I36-G38 VanDerWaalsContact O-N 3.13Å; I36-C70 WeakPolarHBondContact CG2-SG 3.42Å; I36-L81 HydrophobicContact CB-CD1 4.49Å; I36-L81 HydrophobicContact CD1-CD1 3.32Å; I36-L81 HydrophobicContact CD1-CD2 4.04Å; I36-L81 HydrophobicContact CD1-CG 4.22Å; I36-L81 HydrophobicContact CG1-CD1 4.2Å; I36-L81 HydrophobicContact CG2-CD1 3.85Å; I36-F392 HydrophobicContact CD1-CE1 4.06Å; I36-F392 HydrophobicContact CD1-CE2 3.64Å; I36-F392 HydrophobicContact CD1-CZ 3.19Å; I36-F392 HydrophobicContact CG1-CD2 4.2Å; I36-F392 HydrophobicContact CG1-CE1 4.14Å; I36-F392 HydrophobicContact CG1-CE2 3.39Å; I36-F392 HydrophobicContact CG1-CZ 3.38Å
37H53.6Low60.7Low182 Ų18277.9 Ų77.984%0.84337%0.369SS*.SBendtrans-62.5119.3174-67.2-179.6000109.6
38G57.7Low60Low36 Ų3673 Ų7337%0.37136%0.355SS..SBendtrans-178.6178.1-175.400000112.1I36I36-G38 PolarHBondContact O-N 2.95Å; I36-G38 VanDerWaalsContact O-N 3.13Å
39P55.8Low59.5Low15 Ų1570.6 Ų70.610%0.09735%0.349CS..SBendtrans-69.1155.7178.331.3-32.1000109.5Y41 Y50 H68P39-Y41 PolarHBondContact O-N 3.36Å; P39-Y50 HydrophobicContact CB-CD1 4.17Å; P39-Y50 HydrophobicContact CB-CD2 3.83Å; P39-Y50 HydrophobicContact CB-CE1 3.85Å; P39-Y50 HydrophobicContact CB-CE2 3.5Å; P39-Y50 HydrophobicContact CB-CG 4.16Å; P39-Y50 VanDerWaalsContact CB-CZ 3.49Å; P39-Y50 HydrophobicContact CG-CD2 4.15Å; P39-Y50 HydrophobicContact CG-CE2 4.22Å; P39-H68 HydrophobicContact CB-CB 4.42Å; P39-H68 WeakPolarHBondContact CD-O 3.45Å; P39-H68 HydrophobicContact CG-CB 3.87Å; P39-H68 VanDerWaalsContact CG-O 3.23Å; P39-H68 WeakPolarHBondContact CG-O 3.4Å
40R56.4Low59.1Low210 Ų21074.1 Ų74.179%0.79236%0.361SS*.PPolyproline II helixtrans-63.1126.1177.8-73.3-175.4178.3175.60.6109.9I42R40-I42 PolarHBondContact O-N 3.33Å
41Y58.5Low58.6Low19 Ų1973 Ų738%0.07536%0.361CS..PPolyproline II helixtrans-71.2119.7169.6174.7-106.6000110.3L26 P39 L72L26-Y41 HydrophobicContact CD2-CE1 3.68Å; L26-Y41 WeakPolarHBondContact CD2-OH 3.46Å; P39-Y41 PolarHBondContact O-N 3.36Å; Y41-L72 HydrophobicContact CD1-CD1 4.04Å; Y41-L72 HydrophobicContact CD2-CB 3.47Å; Y41-L72 VanDerWaalsContact CD2-CB 3.47Å; Y41-L72 HydrophobicContact CD2-CD1 3.4Å; Y41-L72 VanDerWaalsContact CD2-CD1 3.4Å; Y41-L72 HydrophobicContact CD2-CG 4.04Å; Y41-L72 HydrophobicContact CE1-CD1 4.04Å; Y41-L72 HydrophobicContact CE2-CB 3.05Å; Y41-L72 HydrophobicContact CE2-CD1 3.42Å; Y41-L72 VanDerWaalsContact CE2-CD1 3.42Å; Y41-L72 HydrophobicContact CE2-CG 3.82Å; Y41-L72 HydrophobicContact CG-CD1 3.73Å
42I60.7Low57.6Low60 Ų6076 Ų7631%0.30837%0.373SS..BIsolated β-bridgetrans-91.7124.4172.4-55.5178.2000108.1R40 L45 G46 L49R40-I42 PolarHBondContact O-N 3.33Å; I42-L45 HydrophobicContact CB-CB 4.33Å; I42-L45 HydrophobicContact CG2-CB 4.23Å; I42-L45 HydrophobicContact CG2-CD1 4.27Å; I42-L45 PolarHBondContact O-N 3.35Å; I42-G46 WeakPolarHBondContact O-CA 3.3Å; I42-G46 PolarHBondContact O-N 2.86Å; I42-L49 HydrophobicContact CD1-CD1 3.57Å
43P59Low56.9Low57 Ų5777.9 Ų77.937%0.3739%0.387SS..THydrogen-bonded Turntrans-53.2146.1173.1-24.834000111.6L45P43-L45 PolarHBondContact O-N 3.39Å
44V58.5Low56.4Low78 Ų7880.1 Ų80.147%0.47340%0.398SS..THydrogen-bonded Turntrans67.5-56.2-173-171.90000113.8W22 I74W22-V44 HydrophobicContact CH2-CG2 3.59Å; W22-V44 HydrophobicContact CZ2-CG2 4.12Å; V44-I74 WeakPolarHBondContact O-CD1 3.28Å; V44-I74 WeakPolarHBondContact O-CG1 3.35Å; V44-I74 WeakPolarHBondContact O-CG2 3.42Å
45L54.7Low55.6Low74 Ų7481.9 Ų81.939%0.38742%0.415SS..THydrogen-bonded Turntrans-78.9-23.9-173.8-63.6177.2000113.7I42 P43 I48 L49I42-L45 HydrophobicContact CB-CB 4.33Å; I42-L45 HydrophobicContact CG2-CB 4.23Å; I42-L45 HydrophobicContact CG2-CD1 4.27Å; I42-L45 PolarHBondContact O-N 3.35Å; P43-L45 PolarHBondContact O-N 3.39Å; L45-I48 HydrophobicContact CB-CG2 4.33Å; L45-I48 WeakPolarHBondContact O-CB 3.46Å; L45-I48 WeakPolarHBondContact O-CG2 3.32Å; L45-I48 PolarHBondContact O-N 3.16Å; L45-L49 HydrophobicContact CD1-CD1 4.24Å
46G60.1Low55Low0 Ų078.4 Ų78.40%041%0.412CS..BIsolated β-bridgetrans56.7-139.9-16900000113.4I42 I48I42-G46 WeakPolarHBondContact O-CA 3.3Å; I42-G46 PolarHBondContact O-N 2.86Å; G46-I48 VanDerWaalsContact C-N 3.32Å
47S55.2Low54.5Low2 Ų278 Ų781%0.01442%0.417CS..THydrogen-bonded Turntrans-9514.7179.8-47.40000111.9L49 Y50 C70S47-L49 PolarHBondContact O-N 3.25Å; S47-Y50 WeakPolarHBondContact O-CB 3.34Å; S47-Y50 WeakPolarHBondContact O-CD2 3.37Å; S47-Y50 PolarHBondContact O-N 2.76Å; S47-C70 PolarHBondContact OG-O 2.99Å
48I56.1Low54.2Low64 Ų6472 Ų7233%0.32839%0.389SS..G310 helixtrans-62-29.4-174.3-157.4164.8000112.6L45 G46 Y50 M51 P229L45-I48 HydrophobicContact CB-CG2 4.33Å; L45-I48 WeakPolarHBondContact O-CB 3.46Å; L45-I48 WeakPolarHBondContact O-CG2 3.32Å; L45-I48 PolarHBondContact O-N 3.16Å; G46-I48 VanDerWaalsContact C-N 3.32Å; I48-Y50 PolarHBondContact O-N 3.3Å; I48-M51 WeakPolarHBondContact O-CA 3.11Å; I48-M51 VanDerWaalsContact O-CB 3.32Å; I48-M51 WeakPolarHBondContact O-CB 3.21Å; I48-M51 PolarHBondContact O-N 2.92Å; I48-P229 HydrophobicContact CD1-CG 4.19Å
49L57.6Low53.7Low101 Ų10171.7 Ų71.753%0.52938%0.38SS..G310 helixtrans-64.4-21.1176.7-60.8-176.5000113I42 L45 S47I42-L49 HydrophobicContact CD1-CD1 3.57Å; L45-L49 HydrophobicContact CD1-CD1 4.24Å; S47-L49 PolarHBondContact O-N 3.25Å
50Y54.9Low53.3Low95 Ų9574.2 Ų74.237%0.37339%0.392SS..G310 helixtrans-84-14.8174.3-57.5-80000112.2P39 S47 I48 K52P39-Y50 HydrophobicContact CB-CD1 4.17Å; P39-Y50 HydrophobicContact CB-CD2 3.83Å; P39-Y50 HydrophobicContact CB-CE1 3.85Å; P39-Y50 HydrophobicContact CB-CE2 3.5Å; P39-Y50 HydrophobicContact CB-CG 4.16Å; P39-Y50 VanDerWaalsContact CB-CZ 3.49Å; P39-Y50 HydrophobicContact CG-CD2 4.15Å; P39-Y50 HydrophobicContact CG-CE2 4.22Å; S47-Y50 WeakPolarHBondContact O-CB 3.34Å; S47-Y50 WeakPolarHBondContact O-CD2 3.37Å; S47-Y50 PolarHBondContact O-N 2.76Å; I48-Y50 PolarHBondContact O-N 3.3Å; Y50-K52 PolarHBondContact O-N 2.87Å; Y50-K52 VanDerWaalsContact O-N 3.07Å
51M52.3Low53Low87 Ų8765.2 Ų65.243%0.42936%0.358SS..  trans-81.970.5168.4-59.1-177.764.600109.1I48 T53 F65 F71I48-M51 WeakPolarHBondContact O-CA 3.11Å; I48-M51 VanDerWaalsContact O-CB 3.32Å; I48-M51 WeakPolarHBondContact O-CB 3.21Å; I48-M51 PolarHBondContact O-N 2.92Å; M51-T53 PolarHBondContact O-N 2.72Å; M51-T53 VanDerWaalsContact O-N 3.14Å; M51-F65 HydrophobicContact CG-CE2 4.46Å; M51-F71 HydrophobicContact CG-CE1 3.97Å; M51-F71 HydrophobicContact SD-CE1 4.29Å
52K48.2Very low52.3Low171 Ų17166.3 Ų66.374%0.74337%0.368SS*.  trans-67.1113.7169.3-78.6-171.8175.4-176.20108.8Y50Y50-K52 PolarHBondContact O-N 2.87Å; Y50-K52 VanDerWaalsContact O-N 3.07Å
53T48.9Very low51.4Low93 Ų9373.2 Ų73.257%0.57139%0.39SS*.  trans-78.3119.3159.550.70000107.6M51 V59M51-T53 PolarHBondContact O-N 2.72Å; M51-T53 VanDerWaalsContact O-N 3.14Å; T53-V59 HydrophobicContact CG2-CG2 4.12Å
54D51.7Low50.5Low62 Ų6273.2 Ų73.233%0.33239%0.391SS..  trans-57.4133.7161.8-178.6-8.4000108A56 G57 K58D54-A56 PolarHBondContact O-N 2.87Å; D54-A56 VanDerWaalsContact O-N 3.1Å; D54-A56 PolarHBondContact OD1-N 3.45Å; D54-G57 WeakPolarHBondContact O-CA 3.33Å; D54-G57 PolarHBondContact O-N 3.37Å; D54-K58 HydrophobicContact CB-CB 4.08Å; D54-K58 WeakPolarHBondContact CB-O 3.36Å
55P45.9Very low49.8Very low136 Ų13670.9 Ų70.988%0.88338%0.375SS*.THydrogen-bonded Turntrans-51.1-26.2170.416.8-30.1000113.7G57P55-G57 PolarHBondContact O-N 3.41Å; P55-G57 VanDerWaalsContact O-N 3.11Å
56A51.2Low49.2Very low65 Ų6569.5 Ų69.554%0.53737%0.367SS..THydrogen-bonded Turntrans-70.44171.200000114.2D54 K58D54-A56 PolarHBondContact O-N 2.87Å; D54-A56 VanDerWaalsContact O-N 3.1Å; D54-A56 PolarHBondContact OD1-N 3.45Å; A56-K58 HydrophobicContact CB-CD 4.41Å; A56-K58 HydrophobicContact CB-CG 4.15Å; A56-K58 PolarHBondContact O-N 3.24Å; A56-K58 VanDerWaalsContact O-N 3.13Å
57G46.7Very low48Very low30 Ų3079.4 Ų79.431%0.30940%0.404SS..SBendtrans69.36.3-175.700000113.7D54 P55 V59D54-G57 WeakPolarHBondContact O-CA 3.33Å; D54-G57 PolarHBondContact O-N 3.37Å; P55-G57 PolarHBondContact O-N 3.41Å; P55-G57 VanDerWaalsContact O-N 3.11Å; G57-V59 VanDerWaalsContact C-N 3.27Å; G57-V59 PolarHBondContact O-N 2.94Å
58K47.8Very low47.2Very low56 Ų5682.7 Ų82.724%0.24342%0.42CS..  trans-76.483.1172.5-59.7-175.7-176.7-172.10107.5D54 A56 I60 E492D54-K58 HydrophobicContact CB-CB 4.08Å; D54-K58 WeakPolarHBondContact CB-O 3.36Å; A56-K58 HydrophobicContact CB-CD 4.41Å; A56-K58 HydrophobicContact CB-CG 4.15Å; A56-K58 PolarHBondContact O-N 3.24Å; A56-K58 VanDerWaalsContact O-N 3.13Å; K58-I60 HydrophobicContact CB-CG1 4.08Å; K58-I60 PolarHBondContact O-N 3.37Å; K58-E492 WeakPolarHBondContact CE-OE1 3.49Å; K58-E492 IonicContact NZ-OE1 2.88Å; K58-E492 PolarHBondContact NZ-OE1 3.02Å
59V47.8Very low46.4Very low30 Ų3080.3 Ų80.318%0.18241%0.409CS..  trans-69.481.7158.8-170.40000105.4T53 G57 A484T53-V59 HydrophobicContact CG2-CG2 4.12Å; G57-V59 VanDerWaalsContact C-N 3.27Å; G57-V59 PolarHBondContact O-N 2.94Å; V59-A484 HydrophobicContact CB-CB 3.85Å; V59-A484 HydrophobicContact CG1-CB 3.64Å; V59-A484 WeakPolarHBondContact O-CB 3.43Å; V59-A484 PolarHBondContact O-N 2.89Å
60I48.2Very low45.6Very low69 Ų6975.8 Ų75.835%0.35439%0.385SS..  trans-65.9131.4163.2-58.8171.5000103.2K58 P62 M481K58-I60 HydrophobicContact CB-CG1 4.08Å; K58-I60 PolarHBondContact O-N 3.37Å; I60-P62 VanDerWaalsContact C-N 3.32Å; I60-P62 WeakPolarHBondContact O-CD 3.42Å; I60-M481 HydrophobicContact CG2-CE 4.28Å
61Y49.4Very low45Very low21 Ų2172.4 Ų72.48%0.08237%0.372CS..  trans-62.998.8161.3-72.8-75.7000105.5R63 F65 P376 Y405 A484 L488Y61-R63 PolarHBondContact O-N 3.05Å; Y61-F65 AromaticContact CD1-CD1 3.42Å; Y61-F65 HydrophobicContact CD1-CD1 3.42Å; Y61-F65 VanDerWaalsContact CD1-CD1 3.42Å; Y61-F65 AromaticContact CD1-CE1 3.59Å; Y61-F65 HydrophobicContact CD1-CE1 3.59Å; Y61-F65 AromaticContact CD1-CG 3.98Å; Y61-F65 HydrophobicContact CD1-CG 3.98Å; Y61-F65 HydrophobicContact CD1-CZ 4.28Å; Y61-F65 AromaticContact CE1-CD1 3.97Å; Y61-F65 HydrophobicContact CE1-CD1 3.97Å; Y61-F65 AromaticContact CE1-CE1 3.63Å; Y61-F65 HydrophobicContact CE1-CE1 3.63Å; Y61-F65 HydrophobicContact CE1-CZ 4.18Å; Y61-P376 HydrophobicContact CE2-CB 4.14Å; Y61-P376 HydrophobicContact CE2-CG 4.38Å; Y61-P376 VanDerWaalsContact OH-CG 3.32Å; Y61-P376 WeakPolarHBondContact OH-CG 3.32Å; Y61-Y405 HydrophobicContact CD2-CD1 4Å; Y61-Y405 HydrophobicContact CD2-CE1 4.08Å; Y61-Y405 HydrophobicContact CD2-CG 4.39Å; Y61-Y405 HydrophobicContact CG-CD1 4.36Å; Y61-Y405 HydrophobicContact CG-CE1 4.43Å; Y61-A484 HydrophobicContact CD1-CB 4.3Å; Y61-A484 HydrophobicContact CD2-CB 3.78Å; Y61-A484 HydrophobicContact CE1-CB 4Å; Y61-A484 HydrophobicContact CE2-CB 3.41Å; Y61-A484 VanDerWaalsContact CE2-CB 3.41Å; Y61-A484 HydrophobicContact CG-CB 4.21Å; Y61-L488 HydrophobicContact CD2-CD1 4.43Å; Y61-L488 HydrophobicContact CE2-CD1 3.83Å
62P44.1Very low44.3Very low42 Ų4268.6 Ų68.627%0.27335%0.354SS..  trans-59.2150.7179.327.3-35.7000107.7I60 S64 F65 I66I60-P62 VanDerWaalsContact C-N 3.32Å; I60-P62 WeakPolarHBondContact O-CD 3.42Å; P62-S64 VanDerWaalsContact CB-OG 3.28Å; P62-S64 WeakPolarHBondContact CB-OG 3.17Å; P62-S64 VanDerWaalsContact CG-OG 3.23Å; P62-S64 WeakPolarHBondContact CG-OG 3.49Å; P62-S64 CarbonylContact O-C 3.59Å; P62-S64 PolarHBondContact O-N 2.92Å; P62-F65 HydrophobicContact CG-CB 3.89Å; P62-F65 WeakPolarHBondContact O-CA 3.29Å; P62-F65 WeakPolarHBondContact O-CB 3.41Å; P62-F65 PolarHBondContact O-N 3.25Å; P62-I66 PolarHBondContact O-N 3.23Å
63R41.9Very low43.9Very low205 Ų20561.3 Ų61.377%0.77432%0.324SS*.Hα-helixtrans-49.9-25.1169.1-86.5-178.8170.7172.6-2.2112.3Y61 I66Y61-R63 PolarHBondContact O-N 3.05Å; R63-I66 HydrophobicContact CG-CD1 4.09Å; R63-I66 VanDerWaalsContact O-CB 3.28Å; R63-I66 WeakPolarHBondContact O-CB 3.16Å; R63-I66 PolarHBondContact O-N 2.95Å
64S40.6Very low43.4Very low57 Ų5760.9 Ų60.940%0.39932%0.318SS..Hα-helixtrans-64.9-43.5169.454.70000112.1P62 I66 W67 H68P62-S64 VanDerWaalsContact CB-OG 3.28Å; P62-S64 WeakPolarHBondContact CB-OG 3.17Å; P62-S64 VanDerWaalsContact CG-OG 3.23Å; P62-S64 WeakPolarHBondContact CG-OG 3.49Å; P62-S64 CarbonylContact O-C 3.59Å; P62-S64 PolarHBondContact O-N 2.92Å; S64-I66 PolarHBondContact O-N 2.65Å; S64-W67 PolarHBondContact O-N 3.32Å; S64-H68 WeakPolarHBondContact O-CB 3.44Å; S64-H68 VanDerWaalsContact O-CG 3.26Å; S64-H68 PolarHBondContact O-N 2.74Å; S64-H68 VanDerWaalsContact O-N 3.11Å; S64-H68 PolarHBondContact O-ND1 2.83Å
65F42.9Very low43Very low29 Ų2962.1 Ų62.113%0.12733%0.331CS..Hα-helixtrans-54-39.8172-155.2-86.2000111.2M51 Y61 P62 W67 H68 C69 F71M51-F65 HydrophobicContact CG-CE2 4.46Å; Y61-F65 AromaticContact CD1-CD1 3.42Å; Y61-F65 HydrophobicContact CD1-CD1 3.42Å; Y61-F65 VanDerWaalsContact CD1-CD1 3.42Å; Y61-F65 AromaticContact CD1-CE1 3.59Å; Y61-F65 HydrophobicContact CD1-CE1 3.59Å; Y61-F65 AromaticContact CD1-CG 3.98Å; Y61-F65 HydrophobicContact CD1-CG 3.98Å; Y61-F65 HydrophobicContact CD1-CZ 4.28Å; Y61-F65 AromaticContact CE1-CD1 3.97Å; Y61-F65 HydrophobicContact CE1-CD1 3.97Å; Y61-F65 AromaticContact CE1-CE1 3.63Å; Y61-F65 HydrophobicContact CE1-CE1 3.63Å; Y61-F65 HydrophobicContact CE1-CZ 4.18Å; P62-F65 HydrophobicContact CG-CB 3.89Å; P62-F65 WeakPolarHBondContact O-CA 3.29Å; P62-F65 WeakPolarHBondContact O-CB 3.41Å; P62-F65 PolarHBondContact O-N 3.25Å; F65-W67 PolarHBondContact O-N 2.82Å; F65-H68 PolarHBondContact O-N 2.98Å; F65-C69 WeakPolarHBondContact CD1-SG 3.48Å; F65-C69 WeakPolarHBondContact CE1-SG 3.48Å; F65-C69 PolarHBondContact O-SG 3.45Å; F65-F71 AromaticContact CD2-CZ 3.95Å; F65-F71 HydrophobicContact CD2-CZ 3.95Å; F65-F71 HydrophobicContact CE1-CE2 4.3Å; F65-F71 HydrophobicContact CE1-CZ 4.47Å; F65-F71 HydrophobicContact CE2-CE1 4.24Å; F65-F71 AromaticContact CE2-CE2 3.89Å; F65-F71 HydrophobicContact CE2-CE2 3.89Å; F65-F71 AromaticContact CE2-CZ 3.3Å; F65-F71 HydrophobicContact CE2-CZ 3.3Å; F65-F71 AromaticContact CZ-CE2 3.67Å; F65-F71 HydrophobicContact CZ-CE2 3.67Å; F65-F71 AromaticContact CZ-CZ 3.6Å; F65-F71 HydrophobicContact CZ-CZ 3.6Å
66I41Very low43Very low44 Ų4456.8 Ų56.823%0.22630%0.297CS..Hα-helixtrans-54.9-28.6177.7-55.7-177.2000113P62 R63 S64 I406P62-I66 PolarHBondContact O-N 3.23Å; R63-I66 HydrophobicContact CG-CD1 4.09Å; R63-I66 VanDerWaalsContact O-CB 3.28Å; R63-I66 WeakPolarHBondContact O-CB 3.16Å; R63-I66 PolarHBondContact O-N 2.95Å; S64-I66 PolarHBondContact O-N 2.65Å; I66-I406 HydrophobicContact CB-CG1 4.27Å; I66-I406 HydrophobicContact CG1-CG1 4.19Å; I66-I406 HydrophobicContact CG2-CG1 4.16Å; I66-I406 HydrophobicContact CG2-CG2 3.92Å
67W36.5Very low42.9Very low208 Ų20858 Ų5879%0.78829%0.291SS*.Hα-helixtrans-108.6-11.8-177.6-80.889.5000115.3S64 F65S64-W67 PolarHBondContact O-N 3.32Å; F65-W67 PolarHBondContact O-N 2.82Å
68H37.3Very low43Very low72 Ų7257.5 Ų57.533%0.33328%0.282SS..Hα-helixtrans-121.316.1-157.3-70.787.1000115.6P39 S64 F65 C70P39-H68 HydrophobicContact CB-CB 4.42Å; P39-H68 WeakPolarHBondContact CD-O 3.45Å; P39-H68 HydrophobicContact CG-CB 3.87Å; P39-H68 VanDerWaalsContact CG-O 3.23Å; P39-H68 WeakPolarHBondContact CG-O 3.4Å; S64-H68 WeakPolarHBondContact O-CB 3.44Å; S64-H68 VanDerWaalsContact O-CG 3.26Å; S64-H68 PolarHBondContact O-N 2.74Å; S64-H68 VanDerWaalsContact O-N 3.11Å; S64-H68 PolarHBondContact O-ND1 2.83Å; F65-H68 PolarHBondContact O-N 2.98Å; H68-C70 VanDerWaalsContact C-N 3.27Å; H68-C70 PolarHBondContact O-N 2.78Å
69C39.8Very low43Very low14 Ų1455.9 Ų55.910%0.09528%0.277CS..  trans-79.436.9-164.6-71.50000117.4F65 F71 A82F65-C69 WeakPolarHBondContact CD1-SG 3.48Å; F65-C69 WeakPolarHBondContact CE1-SG 3.48Å; F65-C69 PolarHBondContact O-SG 3.45Å; C69-F71 HydrophobicContact CB-CD2 4.22Å; C69-F71 HydrophobicContact CB-CE2 3.72Å; C69-F71 PolarHBondContact O-N 3.39Å; C69-A82 HydrophobicContact CB-CB 3.06Å; C69-A82 WeakPolarHBondContact O-CB 2.97Å; C69-A82 PolarHBondContact O-N 2.76Å
70C40.3Very low43.2Very low5 Ų555.2 Ų55.23%0.03427%0.272CS..EExtended strand (participates in β ladder)trans-80105.6156.9-73.40000108.7V33 I36 S47 H68 L81V33-C70 HydrophobicContact CG1-CB 4.04Å; I36-C70 WeakPolarHBondContact CG2-SG 3.42Å; S47-C70 PolarHBondContact OG-O 2.99Å; H68-C70 VanDerWaalsContact C-N 3.27Å; H68-C70 PolarHBondContact O-N 2.78Å; C70-L81 WeakPolarHBondContact SG-CD1 3.39Å
71F42.9Very low43.4Very low25 Ų2552.6 Ų52.611%0.1126%0.258CS..EExtended strand (participates in β ladder)trans-105.2147.7176-68.4-77000110.2M51 F65 C69 R80 L401M51-F71 HydrophobicContact CG-CE1 3.97Å; M51-F71 HydrophobicContact SD-CE1 4.29Å; F65-F71 AromaticContact CD2-CZ 3.95Å; F65-F71 HydrophobicContact CD2-CZ 3.95Å; F65-F71 HydrophobicContact CE1-CE2 4.3Å; F65-F71 HydrophobicContact CE1-CZ 4.47Å; F65-F71 HydrophobicContact CE2-CE1 4.24Å; F65-F71 AromaticContact CE2-CE2 3.89Å; F65-F71 HydrophobicContact CE2-CE2 3.89Å; F65-F71 AromaticContact CE2-CZ 3.3Å; F65-F71 HydrophobicContact CE2-CZ 3.3Å; F65-F71 AromaticContact CZ-CE2 3.67Å; F65-F71 HydrophobicContact CZ-CE2 3.67Å; F65-F71 AromaticContact CZ-CZ 3.6Å; F65-F71 HydrophobicContact CZ-CZ 3.6Å; C69-F71 HydrophobicContact CB-CD2 4.22Å; C69-F71 HydrophobicContact CB-CE2 3.72Å; C69-F71 PolarHBondContact O-N 3.39Å; F71-R80 CarbonylContact C-O 3.53Å; F71-R80 HydrophobicContact CB-CB 4Å; F71-R80 PolarHBondContact N-O 3.46Å; F71-R80 CarbonylContact O-C 3.57Å; F71-R80 VanDerWaalsContact O-CA 3.27Å; F71-R80 WeakPolarHBondContact O-CA 3.47Å; F71-R80 WeakPolarHBondContact O-CB 3.3Å; F71-R80 PolarHBondContact O-N 3.35Å; F71-L401 HydrophobicContact CD2-CD1 4.14Å
72L38.2Very low43.4Very low7 Ų752.7 Ų52.74%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-133.4114.2165-95.5162.2000105.1L29 V33 Y41 P79L29-L72 HydrophobicContact CD1-CD2 4.3Å; L29-L72 HydrophobicContact CD2-CD1 4Å; L29-L72 HydrophobicContact CD2-CD2 3.12Å; L29-L72 HydrophobicContact CD2-CG 4.2Å; L29-L72 HydrophobicContact CG-CD1 3.99Å; L29-L72 HydrophobicContact CG-CD2 3.65Å; L29-L72 HydrophobicContact CG-CG 4.43Å; V33-L72 HydrophobicContact CG2-CD1 3.89Å; Y41-L72 HydrophobicContact CD1-CD1 4.04Å; Y41-L72 HydrophobicContact CD2-CB 3.47Å; Y41-L72 VanDerWaalsContact CD2-CB 3.47Å; Y41-L72 HydrophobicContact CD2-CD1 3.4Å; Y41-L72 VanDerWaalsContact CD2-CD1 3.4Å; Y41-L72 HydrophobicContact CD2-CG 4.04Å; Y41-L72 HydrophobicContact CE1-CD1 4.04Å; Y41-L72 HydrophobicContact CE2-CB 3.05Å; Y41-L72 HydrophobicContact CE2-CD1 3.42Å; Y41-L72 VanDerWaalsContact CE2-CD1 3.42Å; Y41-L72 HydrophobicContact CE2-CG 3.82Å; Y41-L72 HydrophobicContact CG-CD1 3.73Å; L72-P79 HydrophobicContact CD2-CB 4.36Å
73S39Very low43.5Very low18 Ų1851.5 Ų51.513%0.12626%0.256CS..  trans-78.3139.4177.6-178.50000109.9S75S73-S75 VanDerWaalsContact C-N 3.26Å; S73-S75 PolarHBondContact O-N 3.4Å; S73-S75 PolarHBondContact OG-N 3.03Å
74I38.9Very low43.7Very low84 Ų8443.9 Ų43.943%0.43123%0.229SC..THydrogen-bonded Turntrans-59.5-38.9175.9-43.6-167.3000110.9V44V44-I74 WeakPolarHBondContact O-CD1 3.28Å; V44-I74 WeakPolarHBondContact O-CG1 3.35Å; V44-I74 WeakPolarHBondContact O-CG2 3.42Å
75S43.6Very low43.8Very low88 Ų8841.7 Ų41.762%0.61521%0.213SC*.THydrogen-bonded Turntrans-84-23.8-166.376.10000114.6S73S73-S75 VanDerWaalsContact C-N 3.26Å; S73-S75 PolarHBondContact O-N 3.4Å; S73-S75 PolarHBondContact OG-N 3.03Å
76S45.9Very low43.7Very low24 Ų2441.1 Ų41.117%0.16821%0.213CC..THydrogen-bonded Turntrans-106.9-13.5-170.649.40000115.2V78S76-V78 WeakPolarHBondContact O-CG2 3.47Å; S76-V78 PolarHBondContact O-N 3.16Å
77H47.8Very low43.6Very low90 Ų9042.1 Ų42.142%0.41722%0.223SC..  trans51.718.1-168.6-53.9-52.2000113.6W22W22-H77 AromaticContact CD1-CE1 3.29Å; W22-H77 AromaticContact CD1-ND1 3.77Å; W22-H77 AromaticContact CD1-NE2 3.93Å; W22-H77 AromaticContact NE1-CE1 3.07Å; W22-H77 PolarHBondContact NE1-CE1 3.18Å; W22-H77 AromaticContact NE1-ND1 3.51Å
78V49.1Very low43.7Very low19 Ų1943.2 Ų43.212%0.11523%0.227CC..  trans-97.4126.3-178.7174.50000108.7S76 R80 G397 E399S76-V78 WeakPolarHBondContact O-CG2 3.47Å; S76-V78 PolarHBondContact O-N 3.16Å; V78-R80 PolarHBondContact O-N 3.18Å; V78-G397 WeakPolarHBondContact CG1-O 3.27Å; V78-E399 HydrophobicContact CG1-CB 4Å; V78-E399 VanDerWaalsContact CG1-CD 3.42Å; V78-E399 HydrophobicContact CG1-CG 3.61Å
79P48.9Very low43.7Very low22 Ų2241 Ų4114%0.14322%0.219CC..EExtended strand (participates in β ladder)trans-63.8124170.321.4-21.8000109.7L29 L72 E399L29-P79 HydrophobicContact CD1-CB 3.4Å; L29-P79 VanDerWaalsContact CD1-CB 3.4Å; L29-P79 HydrophobicContact CD1-CG 3.37Å; L29-P79 HydrophobicContact CG-CB 4.24Å; L72-P79 HydrophobicContact CD2-CB 4.36Å; P79-E399 PolarHBondContact O-N 3.46Å
80R51.8Low43.5Very low17 Ų1747 Ų476%0.06425%0.251CS..EExtended strand (participates in β ladder)trans-105.9113.4171.6-56.8-177.5168.8162.5-5.4109.4F71 V78 E399 L401F71-R80 CarbonylContact C-O 3.53Å; F71-R80 HydrophobicContact CB-CB 4Å; F71-R80 PolarHBondContact N-O 3.46Å; F71-R80 CarbonylContact O-C 3.57Å; F71-R80 VanDerWaalsContact O-CA 3.27Å; F71-R80 WeakPolarHBondContact O-CA 3.47Å; F71-R80 WeakPolarHBondContact O-CB 3.3Å; F71-R80 PolarHBondContact O-N 3.35Å; V78-R80 PolarHBondContact O-N 3.18Å; R80-E399 CarbonylContact C-O 3.58Å; R80-E399 WeakPolarHBondContact CA-O 3.19Å; R80-E399 HydrophobicContact CG-CB 4.07Å; R80-E399 WeakPolarHBondContact CG-OE2 2.79Å; R80-E399 IonicContact CZ-OE2 3.46Å; R80-E399 IonicContact NE-OE2 2.85Å; R80-E399 PolarHBondContact NE-OE2 3.13Å; R80-E399 IonicContact NH2-OE2 2.73Å; R80-E399 PolarHBondContact NH2-OE2 3.02Å; R80-L401 HydrophobicContact CB-CD1 4.2Å
81L51.2Low43.4Very low13 Ų1352.8 Ų52.87%0.06827%0.272CS..EExtended strand (participates in β ladder)trans-108.3111.6177.6177.658.6000108.3I36 C70 V83 I388 F392 I394 E399 V400 L401I36-L81 HydrophobicContact CB-CD1 4.49Å; I36-L81 HydrophobicContact CD1-CD1 3.32Å; I36-L81 HydrophobicContact CD1-CD2 4.04Å; I36-L81 HydrophobicContact CD1-CG 4.22Å; I36-L81 HydrophobicContact CG1-CD1 4.2Å; I36-L81 HydrophobicContact CG2-CD1 3.85Å; C70-L81 WeakPolarHBondContact SG-CD1 3.39Å; L81-V83 HydrophobicContact CB-CG2 4.5Å; L81-V83 HydrophobicContact CD1-CG2 4.41Å; L81-V83 HydrophobicContact CD2-CG2 3.52Å; L81-V83 HydrophobicContact CG-CG2 3.49Å; L81-V83 VanDerWaalsContact CG-CG2 3.49Å; L81-V83 PolarHBondContact O-N 3.29Å; L81-I388 HydrophobicContact CD2-CD1 4.46Å; L81-F392 HydrophobicContact CD2-CE1 3.74Å; L81-F392 HydrophobicContact CD2-CZ 4.11Å; L81-I394 HydrophobicContact CD2-CD1 3.81Å; L81-I394 HydrophobicContact CD2-CG1 3.8Å; L81-E399 PolarHBondContact N-O 2.91Å; L81-V400 CarbonylContact O-C 3.54Å; L81-V400 VanDerWaalsContact O-CA 3.22Å; L81-V400 WeakPolarHBondContact O-CA 3.23Å; L81-L401 PolarHBondContact O-N 2.8Å
82A49.2Very low42.9Very low24 Ų2452.6 Ų52.620%0.19827%0.27CS..EExtended strand (participates in β ladder)trans-76.2126.3160.200000109.3C69 L401C69-A82 HydrophobicContact CB-CB 3.06Å; C69-A82 WeakPolarHBondContact O-CB 2.97Å; C69-A82 PolarHBondContact O-N 2.76Å; A82-L401 VanDerWaalsContact CA-O 3.26Å; A82-L401 WeakPolarHBondContact CA-O 3.28Å; A82-L401 HydrophobicContact CB-CB 3.97Å
83V47.2Very low42.6Very low17 Ų1759.4 Ų59.410%0.10330%0.296CS..  trans-113.9134.4175.4-167.70000108.8L81 P85 W92 I388 I394 V400 L401L81-V83 HydrophobicContact CB-CG2 4.5Å; L81-V83 HydrophobicContact CD1-CG2 4.41Å; L81-V83 HydrophobicContact CD2-CG2 3.52Å; L81-V83 HydrophobicContact CG-CG2 3.49Å; L81-V83 VanDerWaalsContact CG-CG2 3.49Å; L81-V83 PolarHBondContact O-N 3.29Å; V83-P85 WeakPolarHBondContact O-CD 3.33Å; V83-W92 HydrophobicContact CB-CH2 4.25Å; V83-W92 HydrophobicContact CB-CZ2 4.16Å; V83-W92 HydrophobicContact CG1-CH2 3.73Å; V83-W92 HydrophobicContact CG1-CZ2 3.36Å; V83-I388 HydrophobicContact CG1-CD1 4.28Å; V83-I388 HydrophobicContact CG2-CD1 4.14Å; V83-I394 HydrophobicContact CG2-CD1 4.43Å; V83-V400 HydrophobicContact CB-CG1 4.3Å; V83-V400 HydrophobicContact CG2-CG1 3.93Å; V83-L401 PolarHBondContact N-O 3.1Å
84H44.9Very low42.2Very low45 Ų4567.5 Ų67.521%0.20832%0.323CS..  trans-75119.6165.9-162.2-90.2000108.8S86 C87 D410H84-S86 PolarHBondContact CE1-OG 3.39Å; H84-S86 WeakPolarHBondContact ND1-CB 3.46Å; H84-S86 PolarHBondContact ND1-N 3Å; H84-S86 PolarHBondContact ND1-OG 3.5Å; H84-S86 PolarHBondContact O-N 3.1Å; H84-C87 WeakPolarHBondContact O-CB 3.4Å; H84-C87 PolarHBondContact O-N 3.31Å; H84-D410 IonicContact CE1-OD2 3.67Å; H84-D410 PolarHBondContact CE1-OD2 3.46Å; H84-D410 IonicContact ND1-OD2 3.75Å; H84-D410 IonicContact NE2-OD2 3.57Å
85P43.3Very low41.8Very low10 Ų1064.4 Ų64.47%0.06531%0.309CS..THydrogen-bonded Turntrans-59.4-18.8-178.5-22.333.8000113.9V83 W92 I402 V407 F436 L439V83-P85 WeakPolarHBondContact O-CD 3.33Å; P85-W92 HydrophobicContact CB-CZ3 4.46Å; P85-I402 HydrophobicContact CG-CG2 4.18Å; P85-V407 HydrophobicContact CG-CG1 4.48Å; P85-V407 HydrophobicContact CG-CG2 3.81Å; P85-F436 HydrophobicContact CB-CB 4.07Å; P85-L439 HydrophobicContact CG-CD1 4.25Å
86S40.2Very low41.3Very low18 Ų1860.7 Ų60.713%0.12628%0.282CS..THydrogen-bonded Turntrans-87.55.7177.691.20000115H84 R88 D410 H413H84-S86 PolarHBondContact CE1-OG 3.39Å; H84-S86 WeakPolarHBondContact ND1-CB 3.46Å; H84-S86 PolarHBondContact ND1-N 3Å; H84-S86 PolarHBondContact ND1-OG 3.5Å; H84-S86 PolarHBondContact O-N 3.1Å; S86-R88 PolarHBondContact O-N 2.91Å; S86-D410 PolarHBondContact OG-OD2 3.27Å; S86-H413 VanDerWaalsContact CB-NE2 3.27Å; S86-H413 WeakPolarHBondContact CB-NE2 3.34Å
87C39.3Very low40.5Very low65 Ų6567.1 Ų67.144%0.43931%0.31SS..  trans-54.3131.8-178-111.20000112.4H84 S89H84-C87 WeakPolarHBondContact O-CB 3.4Å; H84-C87 PolarHBondContact O-N 3.31Å; C87-S89 PolarHBondContact O-N 3.2Å
88R38.3Very low39.8Very low231 Ų23166.7 Ų66.787%0.87232%0.322SS*.SBendtrans-59.72.8-162.2-84.7-174.7175.4173.6-0.9118.8S86 N90S86-R88 PolarHBondContact O-N 2.91Å; R88-N90 PolarHBondContact O-N 3.22Å; R88-N90 VanDerWaalsContact O-N 3.14Å
89S37.7Very low39.1Very low25 Ų2569.4 Ų69.418%0.17534%0.342CS..  trans-68119.3179.8163.50000109.3C87 R91 W92 I388C87-S89 PolarHBondContact O-N 3.2Å; S89-R91 PolarHBondContact O-N 3.34Å; S89-R91 VanDerWaalsContact O-N 3.1Å; S89-R91 WeakPolarHBondContact OG-CA 3.26Å; S89-R91 WeakPolarHBondContact OG-CB 3.33Å; S89-R91 PolarHBondContact OG-N 2.99Å; S89-R91 VanDerWaalsContact OG-N 3.15Å; S89-W92 WeakPolarHBondContact O-CA 3.4Å; S89-W92 VanDerWaalsContact O-CB 3.22Å; S89-W92 WeakPolarHBondContact O-CB 3.13Å; S89-W92 PolarHBondContact O-N 3.1Å; S89-W92 PolarHBondContact OG-N 3.41Å; S89-I388 WeakPolarHBondContact CB-O 3.26Å; S89-I388 PolarHBondContact OG-O 3.28Å
90N36.1Very low38.6Very low140 Ų14068.4 Ų68.475%0.74934%0.336SS*.Hα-helixtrans-58.4-21.4170-80.4-23.4000111.6R88R88-N90 PolarHBondContact O-N 3.22Å; R88-N90 VanDerWaalsContact O-N 3.14Å
91R37.1Very low38.1Very low126 Ų12668.1 Ų68.148%0.47534%0.336SS..Hα-helixtrans-76.6-29.1170.5-165.6174-80.6-174.8-6.5112S89 R93 R94 S95 E387S89-R91 PolarHBondContact O-N 3.34Å; S89-R91 VanDerWaalsContact O-N 3.1Å; S89-R91 WeakPolarHBondContact OG-CA 3.26Å; S89-R91 WeakPolarHBondContact OG-CB 3.33Å; S89-R91 PolarHBondContact OG-N 2.99Å; S89-R91 VanDerWaalsContact OG-N 3.15Å; R91-R93 PolarHBondContact O-N 2.95Å; R91-R94 CarbonylContact O-C 3.53Å; R91-R94 WeakPolarHBondContact O-CA 3.37Å; R91-R94 PolarHBondContact O-N 3.13Å; R91-S95 PolarHBondContact O-N 3.49Å; R91-S95 PolarHBondContact O-OG 3.44Å; R91-E387 IonicContact CZ-OE1 2.93Å; R91-E387 IonicContact NH1-OE1 3.51Å; R91-E387 PolarHBondContact NH1-OE1 3.28Å; R91-E387 IonicContact NH1-OE2 3.86Å; R91-E387 PolarHBondContact NH1-OE2 2.93Å
92W33.6Very low37.6Very low21 Ų2167.9 Ų67.98%0.0833%0.334CS..Hα-helixtrans-53-38.7170.5-107.675.9000112.1V83 P85 S89 R94 V96 I388V83-W92 HydrophobicContact CB-CH2 4.25Å; V83-W92 HydrophobicContact CB-CZ2 4.16Å; V83-W92 HydrophobicContact CG1-CH2 3.73Å; V83-W92 HydrophobicContact CG1-CZ2 3.36Å; P85-W92 HydrophobicContact CB-CZ3 4.46Å; S89-W92 WeakPolarHBondContact O-CA 3.4Å; S89-W92 VanDerWaalsContact O-CB 3.22Å; S89-W92 WeakPolarHBondContact O-CB 3.13Å; S89-W92 PolarHBondContact O-N 3.1Å; S89-W92 PolarHBondContact OG-N 3.41Å; W92-R94 VanDerWaalsContact C-N 3.3Å; W92-R94 PolarHBondContact O-N 3.14Å; W92-V96 HydrophobicContact CD2-CG2 4.09Å; W92-V96 HydrophobicContact CE3-CG2 3.23Å; W92-V96 HydrophobicContact CH2-CG2 4.45Å; W92-V96 HydrophobicContact CZ3-CG2 3.45Å; W92-V96 VanDerWaalsContact CZ3-CG2 3.45Å; W92-V96 WeakPolarHBondContact O-CB 3.4Å; W92-V96 WeakPolarHBondContact O-CG2 3.48Å; W92-V96 PolarHBondContact O-N 3.33Å; W92-I388 VanDerWaalsContact CD1-O 3.24Å; W92-I388 HydrophobicContact CZ2-CD1 3.7Å; W92-I388 HydrophobicContact CZ2-CG1 3.99Å; W92-I388 VanDerWaalsContact NE1-CG1 3.27Å
93R31.2Very low37.3Very low151 Ų15170 Ų7057%0.5734%0.343SS*.Hα-helixtrans-59.8-40.4174.5-72.4-177-169.8-98.76.2112.3R91 Q97R91-R93 PolarHBondContact O-N 2.95Å; R93-Q97 WeakPolarHBondContact O-CB 3.32Å; R93-Q97 VanDerWaalsContact O-CG 3.31Å; R93-Q97 WeakPolarHBondContact O-CG 3.38Å; R93-Q97 PolarHBondContact O-N 2.9Å; R93-Q97 PolarHBondContact O-OE1 2.95Å
94R30.4Very low37.1Very low188 Ų18870.5 Ų70.571%0.70935%0.351SS*.Hα-helixtrans-80.3-42.2177.7-71-170.7-153.6151.75.9112.9R91 W92 V96 Q97 A98R91-R94 CarbonylContact O-C 3.53Å; R91-R94 WeakPolarHBondContact O-CA 3.37Å; R91-R94 PolarHBondContact O-N 3.13Å; W92-R94 VanDerWaalsContact C-N 3.3Å; W92-R94 PolarHBondContact O-N 3.14Å; R94-V96 VanDerWaalsContact C-N 3.31Å; R94-V96 PolarHBondContact O-N 3.14Å; R94-Q97 CarbonylContact O-C 3.59Å; R94-Q97 PolarHBondContact O-N 3.1Å; R94-Q97 VanDerWaalsContact O-N 3.15Å; R94-A98 WeakPolarHBondContact O-CB 3.4Å; R94-A98 PolarHBondContact O-N 3.21Å
95S32Very low36.9Very low19 Ų1970.4 Ų70.413%0.13336%0.355CS..Hα-helixtrans-65.1-37.4177.4-45.40000110.7R91 S99 S100 E387R91-S95 PolarHBondContact O-N 3.49Å; R91-S95 PolarHBondContact O-OG 3.44Å; S95-S99 CarbonylContact O-C 3.58Å; S95-S99 WeakPolarHBondContact O-CA 3.44Å; S95-S99 PolarHBondContact O-N 2.62Å; S95-S100 PolarHBondContact O-N 3.12Å; S95-E387 PolarHBondContact OG-O 3.5Å
96V31.7Very low37Very low9 Ų970 Ų706%0.05535%0.354CS..Hα-helixtrans-71.8-31172.6178.20000111.8W92 R94 S100 F436W92-V96 HydrophobicContact CD2-CG2 4.09Å; W92-V96 HydrophobicContact CE3-CG2 3.23Å; W92-V96 HydrophobicContact CH2-CG2 4.45Å; W92-V96 HydrophobicContact CZ3-CG2 3.45Å; W92-V96 VanDerWaalsContact CZ3-CG2 3.45Å; W92-V96 WeakPolarHBondContact O-CB 3.4Å; W92-V96 WeakPolarHBondContact O-CG2 3.48Å; W92-V96 PolarHBondContact O-N 3.33Å; R94-V96 VanDerWaalsContact C-N 3.31Å; R94-V96 PolarHBondContact O-N 3.14Å; V96-S100 WeakPolarHBondContact O-CA 3.43Å; V96-S100 WeakPolarHBondContact O-CB 3.47Å; V96-S100 PolarHBondContact O-N 3.32Å; V96-F436 HydrophobicContact CB-CE2 4.43Å; V96-F436 HydrophobicContact CG1-CD2 3.78Å; V96-F436 HydrophobicContact CG1-CE1 4.1Å; V96-F436 HydrophobicContact CG1-CE2 3.19Å; V96-F436 HydrophobicContact CG1-CG 4.43Å; V96-F436 HydrophobicContact CG1-CZ 3.38Å
97Q30.7Very low37.2Very low159 Ų15969.8 Ų69.874%0.74335%0.351SS*.Hα-helixtrans-81.1-29.8174.4-77.2179.3-38.400114R93 R94R93-Q97 WeakPolarHBondContact O-CB 3.32Å; R93-Q97 VanDerWaalsContact O-CG 3.31Å; R93-Q97 WeakPolarHBondContact O-CG 3.38Å; R93-Q97 PolarHBondContact O-N 2.9Å; R93-Q97 PolarHBondContact O-OE1 2.95Å; R94-Q97 CarbonylContact O-C 3.59Å; R94-Q97 PolarHBondContact O-N 3.1Å; R94-Q97 VanDerWaalsContact O-N 3.15Å
98A31.5Very low37.8Very low82 Ų8267.3 Ų67.368%0.67833%0.334SS*.Hα-helixtrans-99.5-24.4-173.800000113.1R94R94-A98 WeakPolarHBondContact O-CB 3.4Å; R94-A98 PolarHBondContact O-N 3.21Å
99S34.5Very low38.3Very low76 Ų7656.3 Ų56.353%0.53129%0.293SS..Hα-helixtrans-157.941-171.2-40.20000110.6S95S95-S99 CarbonylContact O-C 3.58Å; S95-S99 WeakPolarHBondContact O-CA 3.44Å; S95-S99 PolarHBondContact O-N 2.62Å
100S39.1Very low38.5Very low1 Ų159 Ų591%0.00730%0.302CS..  trans-49.4133.5-175.5-169.90000110.4S95 V96 L102 D103 G104S95-S100 PolarHBondContact O-N 3.12Å; V96-S100 WeakPolarHBondContact O-CA 3.43Å; V96-S100 WeakPolarHBondContact O-CB 3.47Å; V96-S100 PolarHBondContact O-N 3.32Å; S100-L102 PolarHBondContact O-N 2.78Å; S100-L102 WeakPolarHBondContact OG-CA 3.36Å; S100-L102 WeakPolarHBondContact OG-CB 3.13Å; S100-L102 PolarHBondContact OG-N 2.89Å; S100-D103 VanDerWaalsContact CB-CG 3.48Å; S100-D103 VanDerWaalsContact CB-N 3.34Å; S100-D103 WeakPolarHBondContact CB-OD2 3.44Å; S100-D103 CarbonylContact O-C 3.49Å; S100-D103 WeakPolarHBondContact O-CA 3.1Å; S100-D103 PolarHBondContact O-N 3.37Å; S100-G104 PolarHBondContact O-N 3.31Å
101P41.5Very low38.8Very low11 Ų1154 Ų547%0.07128%0.277CS..THydrogen-bonded Turntrans-53.4-22162-25.835.4000112.2R380 I382 F386P101-R380 WeakPolarHBondContact O-CG 3.42Å; P101-I382 HydrophobicContact CB-CD1 4.13Å; P101-F386 HydrophobicContact CG-CE1 4.1Å; P101-F386 HydrophobicContact CG-CE2 3.99Å; P101-F386 HydrophobicContact CG-CZ 3.44Å; P101-F386 VanDerWaalsContact CG-CZ 3.44Å
102L41Very low39.2Very low7 Ų750.1 Ų50.14%0.03726%0.263CS..THydrogen-bonded Turntrans-79.8-27.5173.5-60.4152000113.4S100 F378 I402 F436 A443 G444 A445S100-L102 PolarHBondContact O-N 2.78Å; S100-L102 WeakPolarHBondContact OG-CA 3.36Å; S100-L102 WeakPolarHBondContact OG-CB 3.13Å; S100-L102 PolarHBondContact OG-N 2.89Å; L102-F378 HydrophobicContact CD2-CE2 3.77Å; L102-F378 HydrophobicContact CD2-CZ 4.11Å; L102-I402 HydrophobicContact CD2-CD1 3.61Å; L102-I402 HydrophobicContact CG-CD1 4.06Å; L102-F436 HydrophobicContact CD1-CD1 3.45Å; L102-F436 VanDerWaalsContact CD1-CD1 3.45Å; L102-F436 HydrophobicContact CD1-CE1 3.44Å; L102-F436 VanDerWaalsContact CD1-CE1 3.44Å; L102-F436 HydrophobicContact CD1-CG 4.49Å; L102-F436 HydrophobicContact CD1-CZ 4.46Å; L102-A443 HydrophobicContact CD1-CB 4.12Å; L102-A443 HydrophobicContact CD2-CB 4.34Å; L102-G444 WeakPolarHBondContact O-CA 3.38Å; L102-A445 PolarHBondContact O-N 3.48Å
103D42.6Very low40.1Very low70 Ų7049.9 Ų49.937%0.37426%0.263SS..THydrogen-bonded Turntrans-95.1-20.4178-62.7-30.3000112.1S100 G444S100-D103 VanDerWaalsContact CB-CG 3.48Å; S100-D103 VanDerWaalsContact CB-N 3.34Å; S100-D103 WeakPolarHBondContact CB-OD2 3.44Å; S100-D103 CarbonylContact O-C 3.49Å; S100-D103 WeakPolarHBondContact O-CA 3.1Å; S100-D103 PolarHBondContact O-N 3.37Å; D103-G444 WeakPolarHBondContact OD1-CA 3.21Å
104G41.9Very low40.9Very low27 Ų2746.1 Ų46.128%0.27825%0.254SS..SBendtrans-53.5144.8177.700000110.2S100 G106S100-G104 PolarHBondContact O-N 3.31Å; G104-G106 PolarHBondContact O-N 2.72Å
105S42.2Very low41.9Very low42 Ų4237.4 Ų37.429%0.29422%0.222SC..  trans-57.4-7.517248.40000114.6T107 R134 D383S105-T107 PolarHBondContact O-N 2.83Å; S105-R134 VanDerWaalsContact CA-NH2 3.34Å; S105-D383 VanDerWaalsContact C-OD2 3.26Å; S105-D383 WeakPolarHBondContact CB-OD2 3.16Å; S105-D383 PolarHBondContact OG-OD2 3.4Å
106G44.2Very low42.8Very low3 Ų336.5 Ų36.53%0.03122%0.216CC..  trans-38.5124.1-173.900000112.9G104 V108 R381 D383G104-G106 PolarHBondContact O-N 2.72Å; G106-V108 PolarHBondContact O-N 2.93Å; G106-R381 WeakPolarHBondContact CA-O 3.4Å; G106-D383 WeakPolarHBondContact CA-OD2 3.44Å; G106-D383 PolarHBondContact N-OD2 3.24Å; G106-D383 VanDerWaalsContact N-OD2 3.16Å
107T45.3Very low44Very low12 Ų1236.1 Ų36.17%0.07421%0.214CC..  trans-50.2133.1160.937.60000109S105 E129 R381S105-T107 PolarHBondContact O-N 2.83Å; T107-E129 HydrophobicContact CG2-CB 3.95Å; T107-E129 HydrophobicContact CG2-CG 3.66Å; T107-R381 WeakPolarHBondContact O-CB 3.46Å; T107-R381 PolarHBondContact O-N 3.15Å; T107-R381 VanDerWaalsContact OG1-CB 3.28Å; T107-R381 WeakPolarHBondContact OG1-CB 3.22Å; T107-R381 WeakPolarHBondContact OG1-CD 3.19Å
108V50.2Low45.3Very low13 Ų1331.3 Ų31.38%0.07920%0.201CC..  trans-63.9144.2161.3178.90000106.8G106 Q110 F113 M126 F127G106-V108 PolarHBondContact O-N 2.93Å; V108-Q110 PolarHBondContact O-N 3.3Å; V108-Q110 VanDerWaalsContact O-N 3.11Å; V108-F113 HydrophobicContact CG1-CE2 4.42Å; V108-M126 WeakPolarHBondContact CB-O 3.29Å; V108-M126 WeakPolarHBondContact CG2-O 3.44Å; V108-F127 HydrophobicContact CB-CD1 4.42Å; V108-F127 HydrophobicContact CG1-CD1 3.95Å; V108-F127 HydrophobicContact CG1-CE1 4.1Å
109D50.8Low46.6Very low1 Ų127.9 Ų27.91%0.00517%0.171CC..  trans-40.4112.6-177.5-162.6-21.4000113.1V111 F112 F113 A379D109-V111 WeakPolarHBondContact OD1-CA 3.14Å; D109-V111 PolarHBondContact OD1-N 3.34Å; D109-F112 HydrophobicContact CB-CB 4.23Å; D109-F112 VanDerWaalsContact CG-N 3.32Å; D109-F112 PolarHBondContact OD1-N 2.87Å; D109-F112 WeakPolarHBondContact OD2-CB 3.45Å; D109-F113 HydrophobicContact CB-CD2 3.99Å; D109-F113 HydrophobicContact CB-CE2 4.3Å; D109-F113 WeakPolarHBondContact O-CD2 3.38Å; D109-A379 HydrophobicContact CB-CB 3.7Å
110Q41.7Very low47.7Very low80 Ų8024.2 Ų24.237%0.37415%0.145SC..Hα-helixtrans-71.5-46164-96.2173.6-13.900109.1V108 F112 F113 D114V108-Q110 PolarHBondContact O-N 3.3Å; V108-Q110 VanDerWaalsContact O-N 3.11Å; Q110-F112 PolarHBondContact O-N 3.1Å; Q110-F113 CarbonylContact O-C 3.51Å; Q110-F113 PolarHBondContact O-N 2.83Å; Q110-D114 VanDerWaalsContact O-CA 3.26Å; Q110-D114 WeakPolarHBondContact O-CA 3.2Å; Q110-D114 WeakPolarHBondContact O-CB 3.49Å; Q110-D114 PolarHBondContact O-N 3.02Å; Q110-D114 VanDerWaalsContact O-OD1 3.08Å
111V40.7Very low48.5Very low36 Ų3626.8 Ų26.822%0.21816%0.161CC..Hα-helixtrans-72.4-39.1-168.4-177.40000115.8D109 F113D109-V111 WeakPolarHBondContact OD1-CA 3.14Å; D109-V111 PolarHBondContact OD1-N 3.34Å; V111-F113 PolarHBondContact O-N 2.91Å
112F47.5Very low49.3Very low44 Ų4427.8 Ų27.819%0.19317%0.168CC..Hα-helixtrans-65.4-31.7176.5-169.3-93.9000110.8D109 Q110 S115D109-F112 HydrophobicContact CB-CB 4.23Å; D109-F112 VanDerWaalsContact CG-N 3.32Å; D109-F112 PolarHBondContact OD1-N 2.87Å; D109-F112 WeakPolarHBondContact OD2-CB 3.45Å; Q110-F112 PolarHBondContact O-N 3.1Å; F112-S115 PolarHBondContact O-OG 3.45Å
113F50.9Low50.4Low16 Ų1627.5 Ų27.57%0.0717%0.166CC..Hα-helixtrans-104.1-13.1-177.9-63.3-81.5000114.9V108 D109 Q110 V111 S115 C116 F127 M486V108-F113 HydrophobicContact CG1-CE2 4.42Å; D109-F113 HydrophobicContact CB-CD2 3.99Å; D109-F113 HydrophobicContact CB-CE2 4.3Å; D109-F113 WeakPolarHBondContact O-CD2 3.38Å; Q110-F113 CarbonylContact O-C 3.51Å; Q110-F113 PolarHBondContact O-N 2.83Å; V111-F113 PolarHBondContact O-N 2.91Å; F113-S115 PolarHBondContact O-N 3.38Å; F113-C116 VanDerWaalsContact O-CA 3.25Å; F113-C116 WeakPolarHBondContact O-CA 3.41Å; F113-C116 WeakPolarHBondContact O-CB 3.12Å; F113-C116 PolarHBondContact O-N 3.25Å; F113-F127 HydrophobicContact CB-CD1 3.86Å; F113-F127 HydrophobicContact CB-CE1 3.28Å; F113-F127 HydrophobicContact CB-CE2 4.32Å; F113-F127 HydrophobicContact CB-CZ 3.5Å; F113-F127 AromaticContact CD1-CE1 3.7Å; F113-F127 HydrophobicContact CD1-CE1 3.7Å; F113-F127 AromaticContact CD1-CZ 3.58Å; F113-F127 HydrophobicContact CD1-CZ 3.58Å; F113-F127 HydrophobicContact CD2-CD1 4.07Å; F113-F127 AromaticContact CD2-CE1 3.29Å; F113-F127 HydrophobicContact CD2-CE1 3.29Å; F113-F127 HydrophobicContact CD2-CZ 4.07Å; F113-F127 HydrophobicContact CE1-CE1 4.27Å; F113-F127 HydrophobicContact CE1-CZ 4.23Å; F113-F127 AromaticContact CE2-CE1 3.92Å; F113-F127 HydrophobicContact CE2-CE1 3.92Å; F113-F127 HydrophobicContact CG-CD1 4.08Å; F113-F127 AromaticContact CG-CE1 3.14Å; F113-F127 HydrophobicContact CG-CE1 3.14Å; F113-F127 AromaticContact CG-CZ 3.46Å; F113-F127 HydrophobicContact CG-CZ 3.46Å; F113-F127 VanDerWaalsContact CG-CZ 3.46Å; F113-F127 HydrophobicContact CZ-CE1 4.36Å; F113-M486 HydrophobicContact CD1-CE 3.62Å; F113-M486 HydrophobicContact CE1-CE 3.65Å; F113-M486 HydrophobicContact CE1-CG 4.35Å; F113-M486 HydrophobicContact CE1-SD 4.47Å
114D48.3Very low51.2Low72 Ų7224.7 Ų24.739%0.38515%0.152SC..Hα-helixtrans-66.7-26.7172.8-82.6-10.2000109.6Q110 C116 T121Q110-D114 VanDerWaalsContact O-CA 3.26Å; Q110-D114 WeakPolarHBondContact O-CA 3.2Å; Q110-D114 WeakPolarHBondContact O-CB 3.49Å; Q110-D114 PolarHBondContact O-N 3.02Å; Q110-D114 VanDerWaalsContact O-OD1 3.08Å; D114-C116 CarbonylContact C-O 3.47Å; D114-T121 HydrophobicContact CB-CG2 4.49Å
115S50.7Low52Low5 Ų524.5 Ų24.54%0.03515%0.146CC..THydrogen-bonded Turntrans-69.9-23.6169.269.70000113.4F112 F113 R225 R232F112-S115 PolarHBondContact O-OG 3.45Å; F113-S115 PolarHBondContact O-N 3.38Å; S115-R225 PolarHBondContact O-NE 3.31Å; S115-R225 PolarHBondContact O-NH2 3.27Å; S115-R232 VanDerWaalsContact CB-CG 3.49Å
116C52.8Low52.8Low1 Ų124.4 Ų24.41%0.00714%0.142CC..SBendtrans-73.9151.2170.6-51.10000108.2F113 D114 L120 I222 M486F113-C116 VanDerWaalsContact O-CA 3.25Å; F113-C116 WeakPolarHBondContact O-CA 3.41Å; F113-C116 WeakPolarHBondContact O-CB 3.12Å; F113-C116 PolarHBondContact O-N 3.25Å; D114-C116 CarbonylContact C-O 3.47Å; C116-L120 HydrophobicContact CB-CB 3.92Å; C116-L120 HydrophobicContact CB-CD1 3.4Å; C116-L120 VanDerWaalsContact CB-CD1 3.4Å; C116-L120 HydrophobicContact CB-CG 4.26Å; C116-I222 HydrophobicContact CB-CG2 4.27Å; C116-M486 HydrophobicContact CB-CE 4.47Å; C116-M486 VanDerWaalsContact SG-CE 3.51Å
117S55.1Low53.7Low0 Ų024.6 Ų24.60%014%0.142CC..  trans-41152.4-176.455.20000114W119 L120 T121 I222 E246S117-W119 PolarHBondContact O-N 3.38Å; S117-L120 PolarHBondContact O-N 3Å; S117-T121 PolarHBondContact O-N 2.7Å; S117-I222 VanDerWaalsContact OG-CG1 3.31Å; S117-I222 WeakPolarHBondContact OG-CG1 3.27Å; S117-E246 WeakPolarHBondContact CB-OE1 3.15Å
118A59.8Low54.7Low58 Ų5824.4 Ų24.448%0.47914%0.141SC..Hα-helixtrans-49.1-28.1172.700000112.8T121 S122A118-T121 WeakPolarHBondContact CA-OG1 3.4Å; A118-T121 PolarHBondContact O-OG1 3.41Å; A118-T121 VanDerWaalsContact O-OG1 3.05Å; A118-S122 PolarHBondContact O-N 3.48Å; A118-S122 VanDerWaalsContact O-N 3.15Å; A118-S122 PolarHBondContact O-OG 3.39Å
119W57.9Low55.6Low10 Ų1029 Ų294%0.03816%0.162CC..Hα-helixtrans-62.9-39.6172.5177.247.6000115.3S117 S122 M123 L218 N219 I222 F308S117-W119 PolarHBondContact O-N 3.38Å; W119-S122 PolarHBondContact O-OG 3.34Å; W119-M123 HydrophobicContact CD2-CE 4.24Å; W119-M123 HydrophobicContact CH2-CE 4.28Å; W119-M123 HydrophobicContact CZ2-CE 3.64Å; W119-L218 HydrophobicContact CE3-CB 4.01Å; W119-L218 HydrophobicContact CE3-CD1 4.49Å; W119-L218 HydrophobicContact CZ3-CB 3.88Å; W119-N219 WeakPolarHBondContact CZ3-OD1 3.36Å; W119-I222 HydrophobicContact CE3-CD1 3.45Å; W119-I222 VanDerWaalsContact CE3-CD1 3.45Å; W119-I222 HydrophobicContact CZ3-CD1 3.34Å; W119-F308 HydrophobicContact CH2-CB 3.87Å; W119-F308 AromaticContact CH2-CD2 3.5Å; W119-F308 HydrophobicContact CH2-CD2 3.5Å; W119-F308 HydrophobicContact CH2-CE2 4.33Å; W119-F308 AromaticContact CH2-CG 3.92Å; W119-F308 HydrophobicContact CH2-CG 3.92Å; W119-F308 HydrophobicContact CZ2-CB 3.94Å; W119-F308 HydrophobicContact CZ2-CD2 4.41Å; W119-F308 HydrophobicContact CZ2-CG 4.42Å; W119-F308 HydrophobicContact CZ3-CD2 4.03Å; W119-F308 HydrophobicContact CZ3-CE2 4.44Å
120L58.7Low56.6Low0 Ų030.2 Ų30.20%017%0.172CC..Hα-helixtrans-75.5-41.7176.7-88.7-179.8000110.5C116 S117 S122 M123 F127 I222 F308 M486C116-L120 HydrophobicContact CB-CB 3.92Å; C116-L120 HydrophobicContact CB-CD1 3.4Å; C116-L120 VanDerWaalsContact CB-CD1 3.4Å; C116-L120 HydrophobicContact CB-CG 4.26Å; S117-L120 PolarHBondContact O-N 3Å; L120-S122 PolarHBondContact O-N 3.33Å; L120-M123 HydrophobicContact CD2-CE 3.7Å; L120-M123 HydrophobicContact CD2-SD 3.5Å; L120-M123 WeakPolarHBondContact CD2-SD 3.34Å; L120-M123 VanDerWaalsContact O-CB 3.24Å; L120-M123 WeakPolarHBondContact O-CB 3.41Å; L120-M123 WeakPolarHBondContact O-CG 3.42Å; L120-M123 PolarHBondContact O-N 2.83Å; L120-F127 HydrophobicContact CB-CE2 4.18Å; L120-F127 HydrophobicContact CD2-CE2 4.45Å; L120-F127 WeakPolarHBondContact O-CD2 3.41Å; L120-F127 WeakPolarHBondContact O-CE2 3.32Å; L120-I222 HydrophobicContact CD1-CB 4.17Å; L120-I222 HydrophobicContact CD1-CD1 3.51Å; L120-I222 HydrophobicContact CD1-CG1 3.75Å; L120-I222 HydrophobicContact CD1-CG2 3.36Å; L120-I222 HydrophobicContact CD2-CD1 4.35Å; L120-I222 HydrophobicContact CG-CD1 3.59Å; L120-I222 HydrophobicContact CG-CG1 4.18Å; L120-F308 HydrophobicContact CD2-CD1 3.9Å; L120-F308 HydrophobicContact CD2-CE1 3.75Å; L120-F308 HydrophobicContact CD2-CZ 4.29Å; L120-M486 HydrophobicContact CD1-CE 3.34Å; L120-M486 HydrophobicContact CD1-SD 3.99Å
121T54.7Low58.2Low54 Ų5430.3 Ų30.333%0.33119%0.186SC..Hα-helixtrans-65.3-22.4-179.357.80000112.9D114 S117 A118 M123D114-T121 HydrophobicContact CB-CG2 4.49Å; S117-T121 PolarHBondContact O-N 2.7Å; A118-T121 WeakPolarHBondContact CA-OG1 3.4Å; A118-T121 PolarHBondContact O-OG1 3.41Å; A118-T121 VanDerWaalsContact O-OG1 3.05Å; T121-M123 PolarHBondContact O-N 2.92Å
122S58.1Low59.7Low33 Ų3333.6 Ų33.623%0.23120%0.199CC..THydrogen-bonded Turntrans-76.60.2170.964.10000114.5A118 W119 L120 P124 E301A118-S122 PolarHBondContact O-N 3.48Å; A118-S122 VanDerWaalsContact O-N 3.15Å; A118-S122 PolarHBondContact O-OG 3.39Å; W119-S122 PolarHBondContact O-OG 3.34Å; L120-S122 PolarHBondContact O-N 3.33Å; S122-P124 WeakPolarHBondContact O-CD 3.42Å; S122-P124 VanDerWaalsContact O-CG 3.22Å; S122-P124 WeakPolarHBondContact O-CG 3.38Å; S122-E301 WeakPolarHBondContact O-CB 3.36Å; S122-E301 WeakPolarHBondContact O-CG 3.44Å
123M64.2Low61.2Low0 Ų031.8 Ų31.80%019%0.191CC..  trans-84.2100.8179.6-67-172.3-179.100111.8W119 L120 T121 M126 F127 T305 F308W119-M123 HydrophobicContact CD2-CE 4.24Å; W119-M123 HydrophobicContact CH2-CE 4.28Å; W119-M123 HydrophobicContact CZ2-CE 3.64Å; L120-M123 HydrophobicContact CD2-CE 3.7Å; L120-M123 HydrophobicContact CD2-SD 3.5Å; L120-M123 WeakPolarHBondContact CD2-SD 3.34Å; L120-M123 VanDerWaalsContact O-CB 3.24Å; L120-M123 WeakPolarHBondContact O-CB 3.41Å; L120-M123 WeakPolarHBondContact O-CG 3.42Å; L120-M123 PolarHBondContact O-N 2.83Å; T121-M123 PolarHBondContact O-N 2.92Å; M123-M126 HydrophobicContact CB-CB 4.32Å; M123-M126 PolarHBondContact O-N 2.83Å; M123-M126 HydrophobicContact SD-CE 4.43Å; M123-F127 HydrophobicContact CB-CD2 4.18Å; M123-F127 HydrophobicContact CB-CE2 4.37Å; M123-F127 PolarHBondContact O-N 3.03Å; M123-T305 WeakPolarHBondContact CA-OG1 3.43Å; M123-T305 HydrophobicContact CB-CG2 4.16Å; M123-T305 VanDerWaalsContact CB-OG1 3.27Å; M123-T305 WeakPolarHBondContact CB-OG1 3.21Å; M123-T305 HydrophobicContact CG-CG2 4.38Å; M123-T305 VanDerWaalsContact CG-OG1 3.31Å; M123-T305 WeakPolarHBondContact CG-OG1 3.29Å; M123-T305 HydrophobicContact SD-CG2 4.18Å; M123-F308 HydrophobicContact CE-CB 3.68Å; M123-F308 HydrophobicContact CE-CD1 4.2Å; M123-F308 HydrophobicContact CE-CG 4.08Å; M123-F308 HydrophobicContact SD-CD1 4.29Å
124P59.4Low62.7Low11 Ų1135.9 Ų35.97%0.07121%0.206CC..Hα-helixtrans-80.5-35.8-162-22.943.6000111.2S122 M126 S128 E301S122-P124 WeakPolarHBondContact O-CD 3.42Å; S122-P124 VanDerWaalsContact O-CG 3.22Å; S122-P124 WeakPolarHBondContact O-CG 3.38Å; P124-M126 PolarHBondContact O-N 3.24Å; P124-M126 VanDerWaalsContact O-N 3.17Å; P124-S128 WeakPolarHBondContact O-CB 3.3Å; P124-S128 PolarHBondContact O-N 2.58Å; P124-S128 VanDerWaalsContact O-N 3.1Å; P124-S128 PolarHBondContact O-OG 3.36Å; P124-E301 HydrophobicContact CG-CB 4.03Å; P124-E301 WeakPolarHBondContact CG-OE2 3.44Å
125S59.2Low64.3Low23 Ų2335.7 Ų35.716%0.16121%0.209CC..Hα-helixtrans-54-32.5170.9-790000112.5E302 R446S125-E302 PolarHBondContact OG-OE2 3.27Å; S125-R446 PolarHBondContact O-NH1 3.06Å; S125-R446 VanDerWaalsContact O-NH1 3.07Å
126M59.7Low65.6Low40 Ų4036.8 Ų36.820%0.19721%0.212CC..Hα-helixtrans-88.7-56.6177.8-151.1-173.3-60.700112.3V108 M123 P124 E309 R446V108-M126 WeakPolarHBondContact CB-O 3.29Å; V108-M126 WeakPolarHBondContact CG2-O 3.44Å; M123-M126 HydrophobicContact CB-CB 4.32Å; M123-M126 PolarHBondContact O-N 2.83Å; M123-M126 HydrophobicContact SD-CE 4.43Å; P124-M126 PolarHBondContact O-N 3.24Å; P124-M126 VanDerWaalsContact O-N 3.17Å; M126-E309 HydrophobicContact CE-CG 3.78Å; M126-E309 WeakPolarHBondContact CE-OE1 3.22Å; M126-R446 PolarHBondContact O-NH1 3.25Å
127F62.9Low67.1Low7 Ų738.7 Ų38.73%0.03122%0.219CC..Hα-helixtrans-108.2-4.7-163.6-55.9-63.4000116.5V108 F113 L120 M123V108-F127 HydrophobicContact CB-CD1 4.42Å; V108-F127 HydrophobicContact CG1-CD1 3.95Å; V108-F127 HydrophobicContact CG1-CE1 4.1Å; F113-F127 HydrophobicContact CB-CD1 3.86Å; F113-F127 HydrophobicContact CB-CE1 3.28Å; F113-F127 HydrophobicContact CB-CE2 4.32Å; F113-F127 HydrophobicContact CB-CZ 3.5Å; F113-F127 AromaticContact CD1-CE1 3.7Å; F113-F127 HydrophobicContact CD1-CE1 3.7Å; F113-F127 AromaticContact CD1-CZ 3.58Å; F113-F127 HydrophobicContact CD1-CZ 3.58Å; F113-F127 HydrophobicContact CD2-CD1 4.07Å; F113-F127 AromaticContact CD2-CE1 3.29Å; F113-F127 HydrophobicContact CD2-CE1 3.29Å; F113-F127 HydrophobicContact CD2-CZ 4.07Å; F113-F127 HydrophobicContact CE1-CE1 4.27Å; F113-F127 HydrophobicContact CE1-CZ 4.23Å; F113-F127 AromaticContact CE2-CE1 3.92Å; F113-F127 HydrophobicContact CE2-CE1 3.92Å; F113-F127 HydrophobicContact CG-CD1 4.08Å; F113-F127 AromaticContact CG-CE1 3.14Å; F113-F127 HydrophobicContact CG-CE1 3.14Å; F113-F127 AromaticContact CG-CZ 3.46Å; F113-F127 HydrophobicContact CG-CZ 3.46Å; F113-F127 VanDerWaalsContact CG-CZ 3.46Å; F113-F127 HydrophobicContact CZ-CE1 4.36Å; L120-F127 HydrophobicContact CB-CE2 4.18Å; L120-F127 HydrophobicContact CD2-CE2 4.45Å; L120-F127 WeakPolarHBondContact O-CD2 3.41Å; L120-F127 WeakPolarHBondContact O-CE2 3.32Å; M123-F127 HydrophobicContact CB-CD2 4.18Å; M123-F127 HydrophobicContact CB-CE2 4.37Å; M123-F127 PolarHBondContact O-N 3.03Å
128S66.7Low68.5Low8 Ų846.9 Ų46.96%0.05626%0.255CS..  trans-78.3166-173.874.20000114.5P124 Q132 W133 R446P124-S128 WeakPolarHBondContact O-CB 3.3Å; P124-S128 PolarHBondContact O-N 2.58Å; P124-S128 VanDerWaalsContact O-N 3.1Å; P124-S128 PolarHBondContact O-OG 3.36Å; S128-Q132 VanDerWaalsContact CB-OE1 3.3Å; S128-Q132 WeakPolarHBondContact OG-CB 3.42Å; S128-W133 VanDerWaalsContact OG-CB 3.31Å; S128-W133 WeakPolarHBondContact OG-CB 3.19Å; S128-W133 PolarHBondContact OG-N 3.41Å; S128-W133 VanDerWaalsContact OG-N 3.15Å; S128-R446 PolarHBondContact O-NH2 3.28Å
129E68.5Low69.4Low110 Ų11047 Ų4751%0.51425%0.247SC..  trans-72.3161.6177.4-55.6-165.3160.400113.3T107 A131 Q132 W133T107-E129 HydrophobicContact CG2-CB 3.95Å; T107-E129 HydrophobicContact CG2-CG 3.66Å; E129-A131 PolarHBondContact O-N 2.94Å; E129-Q132 WeakPolarHBondContact O-CA 3.42Å; E129-Q132 PolarHBondContact O-N 3.16Å; E129-W133 VanDerWaalsContact C-CD1 3.45Å; E129-W133 PolarHBondContact O-N 3.18Å
130A72.2Confident70.5Confident27 Ų2746.7 Ų46.722%0.22325%0.246CC..Hα-helixtrans-49.3-36-179.200000114.7Q132 W133 R134A130-Q132 VanDerWaalsContact C-N 3.27Å; A130-Q132 PolarHBondContact O-N 2.99Å; A130-W133 VanDerWaalsContact CA-CD1 3.47Å; A130-W133 VanDerWaalsContact CA-NE1 3.34Å; A130-R134 VanDerWaalsContact O-CB 3.28Å; A130-R134 WeakPolarHBondContact O-CB 3.43Å; A130-R134 VanDerWaalsContact O-CG 3.25Å; A130-R134 WeakPolarHBondContact O-CG 3.37Å; A130-R134 PolarHBondContact O-N 3.22Å
131A74.9Confident71.7Confident81 Ų8150.1 Ų50.167%0.66927%0.267SS*.Hα-helixtrans-66.9-26.8177.500000113.3E129 P135E129-A131 PolarHBondContact O-N 2.94Å; A131-P135 VanDerWaalsContact O-CD 3.3Å; A131-P135 WeakPolarHBondContact O-CD 3.46Å; A131-P135 WeakPolarHBondContact O-CG 3.43Å
132Q72.4Confident73Confident106 Ų10651 Ų5150%0.49527%0.274SS..Hα-helixtrans-96.3-52.9-176.7-70.2175.7-37.200111.9S128 E129 A130 P135 R136S128-Q132 VanDerWaalsContact CB-OE1 3.3Å; S128-Q132 WeakPolarHBondContact OG-CB 3.42Å; E129-Q132 WeakPolarHBondContact O-CA 3.42Å; E129-Q132 PolarHBondContact O-N 3.16Å; A130-Q132 VanDerWaalsContact C-N 3.27Å; A130-Q132 PolarHBondContact O-N 2.99Å; Q132-P135 WeakPolarHBondContact O-CD 3.3Å; Q132-R136 WeakPolarHBondContact O-CG 3.49Å
133W78.2Confident73.9Confident6 Ų650 Ų502%0.02327%0.266CS..Hα-helixtrans-73.5-31.5-174.475.8-92.7000113.2S128 E129 A130 R136 R137 A445 R446S128-W133 VanDerWaalsContact OG-CB 3.31Å; S128-W133 WeakPolarHBondContact OG-CB 3.19Å; S128-W133 PolarHBondContact OG-N 3.41Å; S128-W133 VanDerWaalsContact OG-N 3.15Å; E129-W133 VanDerWaalsContact C-CD1 3.45Å; E129-W133 PolarHBondContact O-N 3.18Å; A130-W133 VanDerWaalsContact CA-CD1 3.47Å; A130-W133 VanDerWaalsContact CA-NE1 3.34Å; W133-R136 PolarHBondContact O-N 3.33Å; W133-R137 HydrophobicContact CE3-CB 3.79Å; W133-R137 HydrophobicContact CE3-CG 4.23Å; W133-R137 HydrophobicContact CZ3-CB 4.01Å; W133-R137 HydrophobicContact CZ3-CG 4.02Å; W133-R137 WeakPolarHBondContact O-CB 3.3Å; W133-R137 PolarHBondContact O-N 3.46Å; W133-A445 HydrophobicContact CH2-CB 3.73Å; W133-A445 VanDerWaalsContact CH2-O 3.27Å; W133-A445 WeakPolarHBondContact CH2-O 3.25Å; W133-A445 WeakPolarHBondContact CZ3-O 3.42Å; W133-R446 VanDerWaalsContact CD2-NE 3.33Å; W133-R446 HydrophobicContact CH2-CG 3.84Å; W133-R446 HydrophobicContact CZ2-CG 3.75Å; W133-R446 HydrophobicContact CZ3-CG 4.3Å; W133-R446 VanDerWaalsContact NE1-NE 3.11Å
134R83.3Confident74.8Confident102 Ų10251.2 Ų51.239%0.38527%0.271SS..Hα-helixtrans-66.2-48.5-175.4-69.2179.2176.9-82.24.3112.3S105 A130 R137 K138S105-R134 VanDerWaalsContact CA-NH2 3.34Å; A130-R134 VanDerWaalsContact O-CB 3.28Å; A130-R134 WeakPolarHBondContact O-CB 3.43Å; A130-R134 VanDerWaalsContact O-CG 3.25Å; A130-R134 WeakPolarHBondContact O-CG 3.37Å; A130-R134 PolarHBondContact O-N 3.22Å; R134-R137 PolarHBondContact O-N 3.27Å; R134-K138 WeakPolarHBondContact O-CB 3.36Å; R134-K138 PolarHBondContact O-N 3.03Å
135P80.6Confident76Confident67 Ų6755 Ų5544%0.43529%0.288SS..Hα-helixtrans-57.6-48173.3-25.535.8000111.8A131 Q132 R137 K138 L139A131-P135 VanDerWaalsContact O-CD 3.3Å; A131-P135 WeakPolarHBondContact O-CD 3.46Å; A131-P135 WeakPolarHBondContact O-CG 3.43Å; Q132-P135 WeakPolarHBondContact O-CD 3.3Å; P135-R137 PolarHBondContact O-N 2.98Å; P135-K138 WeakPolarHBondContact O-CB 3.32Å; P135-K138 PolarHBondContact O-N 2.98Å; P135-L139 VanDerWaalsContact O-CG 3.26Å; P135-L139 WeakPolarHBondContact O-CG 3.38Å; P135-L139 PolarHBondContact O-N 3.05Å
136R78.5Confident77.1Confident28 Ų2857.1 Ų57.111%0.10629%0.293CS..Hα-helixtrans-58.7-48.8178-65.3-172.1-169-1531.5112Q132 W133 K138 L139 L140 D298 E302Q132-R136 WeakPolarHBondContact O-CG 3.49Å; W133-R136 PolarHBondContact O-N 3.33Å; R136-K138 VanDerWaalsContact C-N 3.3Å; R136-K138 PolarHBondContact O-N 2.86Å; R136-L139 CarbonylContact O-C 3.53Å; R136-L139 WeakPolarHBondContact O-CA 3.14Å; R136-L139 WeakPolarHBondContact O-CB 3.1Å; R136-L139 PolarHBondContact O-N 3.02Å; R136-L140 WeakPolarHBondContact O-CB 3.39Å; R136-L140 VanDerWaalsContact O-CG 3.26Å; R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 2.86Å; R136-D298 IonicContact CZ-OD1 3.27Å; R136-D298 IonicContact NH1-OD1 3.21Å; R136-D298 VanDerWaalsContact NH2-CG 3.32Å; R136-D298 IonicContact NH2-OD1 3.78Å; R136-D298 PolarHBondContact NH2-OD1 3.2Å; R136-E302 WeakPolarHBondContact CD-OE1 3.35Å; R136-E302 IonicContact CZ-OE1 3.31Å; R136-E302 IonicContact NE-OE1 3.43Å; R136-E302 IonicContact NH1-OE1 3.96Å; R136-E302 PolarHBondContact NH1-OE1 3.22Å
137R84.8Confident78.2Confident42 Ų4259.3 Ų59.316%0.15831%0.306CS..Hα-helixtrans-57.3-43.5177.1-174.170.5179.7-127.3-9.9112W133 R134 P135 L139 L140 T141 N447 I449W133-R137 HydrophobicContact CE3-CB 3.79Å; W133-R137 HydrophobicContact CE3-CG 4.23Å; W133-R137 HydrophobicContact CZ3-CB 4.01Å; W133-R137 HydrophobicContact CZ3-CG 4.02Å; W133-R137 WeakPolarHBondContact O-CB 3.3Å; W133-R137 PolarHBondContact O-N 3.46Å; R134-R137 PolarHBondContact O-N 3.27Å; P135-R137 PolarHBondContact O-N 2.98Å; R137-L139 VanDerWaalsContact C-N 3.3Å; R137-L139 PolarHBondContact O-N 3.47Å; R137-L140 PolarHBondContact O-N 2.74Å; R137-T141 WeakPolarHBondContact O-CB 3.38Å; R137-T141 PolarHBondContact O-N 3.32Å; R137-T141 PolarHBondContact O-OG1 3.14Å; R137-N447 VanDerWaalsContact CZ-O 3.23Å; R137-N447 PolarHBondContact NH1-O 2.93Å; R137-N447 PolarHBondContact NH2-O 2.8Å; R137-N447 PolarHBondContact NH2-OD1 3.4Å; R137-I449 VanDerWaalsContact CZ-CB 3.41Å
138K84.5Confident79.1Confident172 Ų17261.2 Ų61.275%0.74832%0.316SS*.Hα-helixtrans-61.4-41.2176.6-176.6-178.8176.6-174.80111.2R134 P135 R136 P142R134-K138 WeakPolarHBondContact O-CB 3.36Å; R134-K138 PolarHBondContact O-N 3.03Å; P135-K138 WeakPolarHBondContact O-CB 3.32Å; P135-K138 PolarHBondContact O-N 2.98Å; R136-K138 VanDerWaalsContact C-N 3.3Å; R136-K138 PolarHBondContact O-N 2.86Å; K138-P142 WeakPolarHBondContact O-CD 3.44Å
139L79.1Confident80.1Confident61 Ų6160.9 Ų60.932%0.31931%0.313SS..Hα-helixtrans-69.3-36.6178.5-69.2170000112.7P135 R136 R137 P142 M288P135-L139 VanDerWaalsContact O-CG 3.26Å; P135-L139 WeakPolarHBondContact O-CG 3.38Å; P135-L139 PolarHBondContact O-N 3.05Å; R136-L139 CarbonylContact O-C 3.53Å; R136-L139 WeakPolarHBondContact O-CA 3.14Å; R136-L139 WeakPolarHBondContact O-CB 3.1Å; R136-L139 PolarHBondContact O-N 3.02Å; R137-L139 VanDerWaalsContact C-N 3.3Å; R137-L139 PolarHBondContact O-N 3.47Å; L139-P142 WeakPolarHBondContact O-CD 3.43Å; L139-M288 HydrophobicContact CB-CE 3.67Å; L139-M288 HydrophobicContact CB-SD 3.86Å; L139-M288 HydrophobicContact CD1-SD 4.1Å; L139-M288 HydrophobicContact CD2-CE 3.79Å; L139-M288 HydrophobicContact CD2-SD 4.26Å; L139-M288 HydrophobicContact CG-CE 4.21Å; L139-M288 HydrophobicContact CG-SD 4.29Å
140L80.3Confident81Confident3 Ų359.4 Ų59.42%0.01631%0.305CS..Hα-helixtrans-87.3-26.2-176-62.6177.5000114.1R136 R137 P142 T143 F281 L285 E302 F306 I449R136-L140 WeakPolarHBondContact O-CB 3.39Å; R136-L140 VanDerWaalsContact O-CG 3.26Å; R136-L140 WeakPolarHBondContact O-CG 3.39Å; R136-L140 PolarHBondContact O-N 2.86Å; R137-L140 PolarHBondContact O-N 2.74Å; L140-P142 VanDerWaalsContact C-N 3.29Å; L140-P142 VanDerWaalsContact O-N 3.16Å; L140-T143 PolarHBondContact O-N 3.26Å; L140-T143 PolarHBondContact O-OG1 3.37Å; L140-F281 HydrophobicContact CB-CE2 4.36Å; L140-F281 HydrophobicContact CD1-CE2 4.09Å; L140-F281 HydrophobicContact CD1-CZ 4.18Å; L140-F281 HydrophobicContact CD2-CD2 4.23Å; L140-F281 HydrophobicContact CD2-CE2 3.25Å; L140-F281 HydrophobicContact CD2-CZ 3.68Å; L140-F281 HydrophobicContact CG-CE2 4.06Å; L140-F281 HydrophobicContact CG-CZ 4.49Å; L140-L285 HydrophobicContact CD2-CD2 3.65Å; L140-L285 HydrophobicContact CD2-CG 4.5Å; L140-E302 WeakPolarHBondContact CD1-OE2 3.01Å; L140-F306 HydrophobicContact CD1-CE2 3.81Å; L140-F306 HydrophobicContact CD1-CZ 3.95Å; L140-I449 HydrophobicContact CB-CD1 3.97Å
141T84.5Confident81.7Confident71 Ų7162.7 Ų62.744%0.43632%0.319SS..G310 helixtrans-51.9-38.7-178.1-63.70000114.3R137 T143 F144R137-T141 WeakPolarHBondContact O-CB 3.38Å; R137-T141 PolarHBondContact O-N 3.32Å; R137-T141 PolarHBondContact O-OG1 3.14Å; T141-T143 VanDerWaalsContact C-N 3.28Å; T141-T143 PolarHBondContact O-N 2.95Å; T141-F144 PolarHBondContact O-N 2.97Å
142P80.6Confident82.4Confident73 Ų7359.6 Ų59.647%0.47429%0.29SS..G310 helixtrans-57.2-32.7175.6-27.336.7000114.9K138 L139 L140 F144 H145 I148K138-P142 WeakPolarHBondContact O-CD 3.44Å; L139-P142 WeakPolarHBondContact O-CD 3.43Å; L140-P142 VanDerWaalsContact C-N 3.29Å; L140-P142 VanDerWaalsContact O-N 3.16Å; P142-F144 PolarHBondContact O-N 3.36Å; P142-H145 WeakPolarHBondContact O-CB 3.39Å; P142-H145 PolarHBondContact O-N 2.85Å; P142-I148 WeakPolarHBondContact O-CD1 3.5Å
143T76.9Confident83.4Confident11 Ų1154.9 Ų54.97%0.06727%0.269CS..G310 helixtrans-67.8-21.9-179.8640000113L140 T141 F281 L284L140-T143 PolarHBondContact O-N 3.26Å; L140-T143 PolarHBondContact O-OG1 3.37Å; T141-T143 VanDerWaalsContact C-N 3.28Å; T141-T143 PolarHBondContact O-N 2.95Å; T143-F281 HydrophobicContact CG2-CD2 4.1Å; T143-L284 HydrophobicContact CG2-CB 4.24Å; T143-L284 HydrophobicContact CG2-CD2 3.17Å; T143-L284 HydrophobicContact CG2-CG 4.3Å
144F83.8Confident84.1Confident26 Ų2659.1 Ų59.111%0.11429%0.289CS..G310 helixtrans-99.413.8176.1-63-86.5000111.8T141 P142 L149 F281 F306 I449 F453T141-F144 PolarHBondContact O-N 2.97Å; P142-F144 PolarHBondContact O-N 3.36Å; F144-L149 WeakPolarHBondContact O-CD1 3.29Å; F144-F281 HydrophobicContact CE2-CD2 4.31Å; F144-F281 HydrophobicContact CE2-CE2 4.4Å; F144-F306 HydrophobicContact CE1-CE1 4.26Å; F144-F306 HydrophobicContact CE2-CD1 4.26Å; F144-F306 AromaticContact CE2-CE1 3.46Å; F144-F306 HydrophobicContact CE2-CE1 3.46Å; F144-F306 VanDerWaalsContact CE2-CE1 3.46Å; F144-F306 AromaticContact CE2-CZ 3.86Å; F144-F306 HydrophobicContact CE2-CZ 3.86Å; F144-F306 AromaticContact CZ-CD1 3.58Å; F144-F306 HydrophobicContact CZ-CD1 3.58Å; F144-F306 AromaticContact CZ-CE1 3.18Å; F144-F306 HydrophobicContact CZ-CE1 3.18Å; F144-F306 HydrophobicContact CZ-CZ 4.04Å; F144-I449 HydrophobicContact CB-CG1 4.28Å; F144-I449 HydrophobicContact CD2-CD1 3.5Å; F144-I449 VanDerWaalsContact CD2-CD1 3.5Å; F144-I449 HydrophobicContact CD2-CG1 3.56Å; F144-I449 HydrophobicContact CD2-CG2 4.39Å; F144-I449 HydrophobicContact CE2-CD1 3.84Å; F144-I449 HydrophobicContact CE2-CG1 4.12Å; F144-I449 HydrophobicContact CE2-CG2 4.16Å; F144-I449 HydrophobicContact CG-CD1 4.38Å; F144-I449 HydrophobicContact CG-CG1 3.96Å; F144-I449 HydrophobicContact CZ-CG2 4.38Å; F144-F453 HydrophobicContact CD1-CB 4.26Å; F144-F453 HydrophobicContact CE1-CB 4.45Å
145H83.8Confident84.6Confident92 Ų9254.3 Ų54.343%0.42627%0.271SS..SBendtrans-69.8149.5171.9-164.6-99.3000110.9P142 D147 I148 L149P142-H145 WeakPolarHBondContact O-CB 3.39Å; P142-H145 PolarHBondContact O-N 2.85Å; H145-D147 IonicContact CE1-OD2 3.7Å; H145-D147 PolarHBondContact CE1-OD2 2.91Å; H145-D147 IonicContact ND1-OD2 3.78Å; H145-D147 PolarHBondContact ND1-OD2 3.49Å; H145-D147 PolarHBondContact O-N 3.28Å; H145-D147 VanDerWaalsContact O-N 3.14Å; H145-I148 PolarHBondContact O-N 2.94Å; H145-I148 VanDerWaalsContact O-N 3.1Å; H145-L149 WeakPolarHBondContact O-CG 3.46Å; H145-L149 PolarHBondContact O-N 2.94Å; H145-L149 VanDerWaalsContact O-N 3.14Å
146Y82.8Confident85.4Confident66 Ų6651.1 Ų51.126%0.25925%0.25SS..Hα-helixtrans-51.8-38.5-175.6168.2-101000114.2I148 L149 K150 F352Y146-I148 VanDerWaalsContact C-N 3.3Å; Y146-I148 PolarHBondContact O-N 3Å; Y146-L149 PolarHBondContact O-N 3.35Å; Y146-K150 HydrophobicContact CE1-CD 4.25Å; Y146-K150 PolarHBondContact O-N 3.38Å; Y146-K150 WeakPolarHBondContact OH-CE 3.41Å; Y146-F352 HydrophobicContact CD2-CE1 4.01Å; Y146-F352 HydrophobicContact CD2-CE2 4.17Å; Y146-F352 AromaticContact CD2-CZ 3.53Å; Y146-F352 HydrophobicContact CD2-CZ 3.53Å; Y146-F352 AromaticContact CE2-CD1 3.88Å; Y146-F352 HydrophobicContact CE2-CD1 3.88Å; Y146-F352 AromaticContact CE2-CE1 3.06Å; Y146-F352 HydrophobicContact CE2-CE1 3.06Å; Y146-F352 AromaticContact CE2-CE2 3.94Å; Y146-F352 HydrophobicContact CE2-CE2 3.94Å; Y146-F352 AromaticContact CE2-CZ 3.07Å; Y146-F352 HydrophobicContact CE2-CZ 3.07Å; Y146-F352 AromaticContact CZ-CE1 3.67Å; Y146-F352 WeakPolarHBondContact OH-CE1 3.4Å
147D82.3Confident86.3Confident87 Ų8750 Ų5047%0.46525%0.246SC..Hα-helixtrans-66.9-32.6-176.8-58.2-51.6000112.7H145 K150H145-D147 IonicContact CE1-OD2 3.7Å; H145-D147 PolarHBondContact CE1-OD2 2.91Å; H145-D147 IonicContact ND1-OD2 3.78Å; H145-D147 PolarHBondContact ND1-OD2 3.49Å; H145-D147 PolarHBondContact O-N 3.28Å; H145-D147 VanDerWaalsContact O-N 3.14Å; D147-K150 IonicContact OD1-NZ 2.66Å
148I82.7Confident86.8Confident47 Ų4751 Ų5124%0.24125%0.253CS..Hα-helixtrans-79.8-39.3175.6-61.4174.6000110.3P142 H145 Y146 K150 D151 F152P142-I148 WeakPolarHBondContact O-CD1 3.5Å; H145-I148 PolarHBondContact O-N 2.94Å; H145-I148 VanDerWaalsContact O-N 3.1Å; Y146-I148 VanDerWaalsContact C-N 3.3Å; Y146-I148 PolarHBondContact O-N 3Å; I148-K150 PolarHBondContact O-N 3.01Å; I148-D151 PolarHBondContact O-N 3.23Å; I148-F152 HydrophobicContact CG2-CE1 4Å; I148-F152 HydrophobicContact CG2-CE2 3.87Å; I148-F152 HydrophobicContact CG2-CZ 3.53Å; I148-F152 PolarHBondContact O-N 3.17Å
149L87.7Confident87.4Confident1 Ų143.4 Ų43.41%0.00522%0.22CC..Hα-helixtrans-61.8-26.1179.5-64.4-179.9000113.1F144 H145 Y146 D151 F152 V153 R452 F453 I456F144-L149 WeakPolarHBondContact O-CD1 3.29Å; H145-L149 WeakPolarHBondContact O-CG 3.46Å; H145-L149 PolarHBondContact O-N 2.94Å; H145-L149 VanDerWaalsContact O-N 3.14Å; Y146-L149 PolarHBondContact O-N 3.35Å; L149-D151 VanDerWaalsContact C-N 3.34Å; L149-F152 HydrophobicContact CD2-CD2 3.76Å; L149-F152 HydrophobicContact CD2-CE2 4.09Å; L149-F152 PolarHBondContact O-N 2.78Å; L149-V153 PolarHBondContact O-N 3.48Å; L149-R452 HydrophobicContact CD1-CB 3.5Å; L149-F453 HydrophobicContact CD2-CB 4.05Å; L149-F453 HydrophobicContact CD2-CD2 3.97Å; L149-I456 HydrophobicContact CB-CD1 3.91Å; L149-I456 HydrophobicContact CD1-CD1 3.97Å
150K88.2Confident88.3Confident78 Ų7840.5 Ų40.534%0.33921%0.205SC..Hα-helixtrans-61-42.8172.1-76177.2-177.4164.50112.5Y146 D147 I148 F152 V153 F352Y146-K150 HydrophobicContact CE1-CD 4.25Å; Y146-K150 PolarHBondContact O-N 3.38Å; Y146-K150 WeakPolarHBondContact OH-CE 3.41Å; D147-K150 IonicContact OD1-NZ 2.66Å; I148-K150 PolarHBondContact O-N 3.01Å; K150-F152 PolarHBondContact O-N 2.86Å; K150-V153 VanDerWaalsContact O-CB 3.32Å; K150-V153 WeakPolarHBondContact O-CB 3.28Å; K150-V153 PolarHBondContact O-N 3.06Å; K150-V153 VanDerWaalsContact O-N 3.16Å; K150-F352 HydrophobicContact CB-CD2 4.3Å; K150-F352 HydrophobicContact CG-CB 4.29Å; K150-F352 HydrophobicContact CG-CD2 3.56Å; K150-F352 HydrophobicContact CG-CE2 4.06Å; K150-F352 HydrophobicContact CG-CG 3.82Å
151D85.8Confident89Confident96 Ų9643.8 Ų43.851%0.51322%0.217SC..Hα-helixtrans-68.6-28.4-178.8-63.1-22.5000110.7I148 L149 V153 E154I148-D151 PolarHBondContact O-N 3.23Å; L149-D151 VanDerWaalsContact C-N 3.34Å; D151-V153 VanDerWaalsContact C-N 3.29Å; D151-V153 PolarHBondContact O-N 3.18Å; D151-E154 PolarHBondContact O-N 3.49Å
152F89.8Confident89.6Confident16 Ų1642.1 Ų42.17%0.0721%0.206CC..Hα-helixtrans-71.1-19.9174.7-61.7-18.9000114I148 L149 K150 E154 V155 F156 T195 F453I148-F152 HydrophobicContact CG2-CE1 4Å; I148-F152 HydrophobicContact CG2-CE2 3.87Å; I148-F152 HydrophobicContact CG2-CZ 3.53Å; I148-F152 PolarHBondContact O-N 3.17Å; L149-F152 HydrophobicContact CD2-CD2 3.76Å; L149-F152 HydrophobicContact CD2-CE2 4.09Å; L149-F152 PolarHBondContact O-N 2.78Å; K150-F152 PolarHBondContact O-N 2.86Å; F152-E154 PolarHBondContact O-N 3.38Å; F152-V155 WeakPolarHBondContact O-CB 3.32Å; F152-V155 PolarHBondContact O-N 3.11Å; F152-F156 HydrophobicContact CB-CE1 4.09Å; F152-F156 HydrophobicContact CB-CE2 4.03Å; F152-F156 HydrophobicContact CB-CZ 3.7Å; F152-F156 WeakPolarHBondContact O-CD1 3.46Å; F152-F156 WeakPolarHBondContact O-CD2 3.46Å; F152-F156 VanDerWaalsContact O-CG 3.23Å; F152-F156 WeakPolarHBondContact O-CG 3.4Å; F152-F156 PolarHBondContact O-N 3.26Å; F152-T195 HydrophobicContact CB-CG2 3.85Å; F152-T195 HydrophobicContact CD1-CG2 3.8Å; F152-T195 HydrophobicContact CD2-CG2 4.23Å; F152-T195 HydrophobicContact CE1-CG2 4.4Å; F152-T195 HydrophobicContact CG-CG2 3.71Å; F152-F453 AromaticContact CD2-CD2 3.94Å; F152-F453 HydrophobicContact CD2-CD2 3.94Å; F152-F453 AromaticContact CD2-CE2 3.89Å; F152-F453 HydrophobicContact CD2-CE2 3.89Å; F152-F453 HydrophobicContact CE2-CD2 4.37Å; F152-F453 HydrophobicContact CE2-CE2 4.35Å
153V93.7Very high90.4Very high8 Ų838.6 Ų38.65%0.04818%0.184CC..Hα-helixtrans-59.3-34.4175.8175.20000111.1L149 K150 D151 F156 N157 A350 F352 L355 I456 V460L149-V153 PolarHBondContact O-N 3.48Å; K150-V153 VanDerWaalsContact O-CB 3.32Å; K150-V153 WeakPolarHBondContact O-CB 3.28Å; K150-V153 PolarHBondContact O-N 3.06Å; K150-V153 VanDerWaalsContact O-N 3.16Å; D151-V153 VanDerWaalsContact C-N 3.29Å; D151-V153 PolarHBondContact O-N 3.18Å; V153-F156 PolarHBondContact O-N 3.47Å; V153-N157 VanDerWaalsContact CG1-ND2 3.34Å; V153-N157 WeakPolarHBondContact CG1-ND2 3.49Å; V153-N157 WeakPolarHBondContact O-CB 3.33Å; V153-N157 PolarHBondContact O-N 3.38Å; V153-N157 PolarHBondContact O-ND2 3.39Å; V153-A350 WeakPolarHBondContact CG1-O 3.49Å; V153-F352 HydrophobicContact CG2-CD2 3.97Å; V153-L355 HydrophobicContact CG2-CD1 4.06Å; V153-I456 HydrophobicContact CG2-CG2 3.79Å; V153-V460 HydrophobicContact CG1-CG2 4.27Å
154E93.2Very high91.3Very high94 Ų9438.1 Ų38.144%0.43918%0.181SC..Hα-helixtrans-60.4-46.8174.5-164.6-165.7158.400111.2D151 F152 N157 Q158 R278D151-E154 PolarHBondContact O-N 3.49Å; F152-E154 PolarHBondContact O-N 3.38Å; E154-N157 PolarHBondContact O-N 3.22Å; E154-Q158 VanDerWaalsContact O-CG 3.29Å; E154-Q158 WeakPolarHBondContact O-CG 3.35Å; E154-Q158 PolarHBondContact O-N 2.91Å; E154-Q158 PolarHBondContact OE1-NE2 3.06Å; E154-R278 IonicContact OE1-NH2 3.86Å; E154-R278 PolarHBondContact OE1-NH2 3.12Å; E154-R278 IonicContact OE2-CZ 2.68Å; E154-R278 IonicContact OE2-NE 3.12Å; E154-R278 IonicContact OE2-NH2 2.87Å; E154-R278 PolarHBondContact OE2-NH2 3.28Å
155V93.1Very high91.8Very high2 Ų239.1 Ų39.11%0.01219%0.191CC..Hα-helixtrans-62.6-44.8177.2177.90000110.9F152 N157 Q158 Q159 E194 T195F152-V155 WeakPolarHBondContact O-CB 3.32Å; F152-V155 PolarHBondContact O-N 3.11Å; V155-N157 VanDerWaalsContact C-N 3.3Å; V155-N157 PolarHBondContact O-N 3.09Å; V155-Q158 PolarHBondContact O-N 3.28Å; V155-Q159 HydrophobicContact CG1-CG 4.27Å; V155-Q159 WeakPolarHBondContact O-CG 3.37Å; V155-Q159 PolarHBondContact O-N 3.28Å; V155-E194 HydrophobicContact CG1-CB 3.77Å; V155-E194 VanDerWaalsContact CG1-CD 3.49Å; V155-E194 HydrophobicContact CG1-CG 3.72Å; V155-E194 HydrophobicContact CG2-CG 4.08Å; V155-T195 HydrophobicContact CB-CG2 3.92Å; V155-T195 HydrophobicContact CG1-CG2 3.77Å; V155-T195 HydrophobicContact CG2-CG2 4.25Å
156F96.7Very high92.3Very high0 Ų037.6 Ų37.60%018%0.183CC..Hα-helixtrans-58.7-43.7178.1-57.3-23.8000111.5F152 V153 S160 I191 T195 F453 I456 E457 V460F152-F156 HydrophobicContact CB-CE1 4.09Å; F152-F156 HydrophobicContact CB-CE2 4.03Å; F152-F156 HydrophobicContact CB-CZ 3.7Å; F152-F156 WeakPolarHBondContact O-CD1 3.46Å; F152-F156 WeakPolarHBondContact O-CD2 3.46Å; F152-F156 VanDerWaalsContact O-CG 3.23Å; F152-F156 WeakPolarHBondContact O-CG 3.4Å; F152-F156 PolarHBondContact O-N 3.26Å; V153-F156 PolarHBondContact O-N 3.47Å; F156-S160 VanDerWaalsContact O-CB 3.25Å; F156-S160 WeakPolarHBondContact O-CB 3.38Å; F156-S160 PolarHBondContact O-N 2.86Å; F156-S160 PolarHBondContact O-OG 3.38Å; F156-I191 HydrophobicContact CD1-CB 4.41Å; F156-I191 HydrophobicContact CD1-CD1 4.12Å; F156-I191 HydrophobicContact CD1-CG1 4.2Å; F156-I191 HydrophobicContact CD1-CG2 3.37Å; F156-I191 HydrophobicContact CE1-CG2 3.3Å; F156-T195 HydrophobicContact CD1-CG2 4.49Å; F156-T195 HydrophobicContact CE1-CG2 3.88Å; F156-F453 HydrophobicContact CE1-CD2 4.48Å; F156-F453 HydrophobicContact CE1-CE1 4.24Å; F156-F453 AromaticContact CE1-CE2 3.74Å; F156-F453 HydrophobicContact CE1-CE2 3.74Å; F156-F453 AromaticContact CE1-CZ 3.6Å; F156-F453 HydrophobicContact CE1-CZ 3.6Å; F156-F453 AromaticContact CZ-CD2 3.88Å; F156-F453 HydrophobicContact CZ-CD2 3.88Å; F156-F453 HydrophobicContact CZ-CE1 4.26Å; F156-F453 AromaticContact CZ-CE2 3.57Å; F156-F453 HydrophobicContact CZ-CE2 3.57Å; F156-F453 HydrophobicContact CZ-CG 4.35Å; F156-F453 AromaticContact CZ-CZ 3.78Å; F156-F453 HydrophobicContact CZ-CZ 3.78Å; F156-I456 HydrophobicContact CD2-CG2 3.73Å; F156-I456 HydrophobicContact CE2-CB 4.1Å; F156-I456 HydrophobicContact CE2-CG2 3.46Å; F156-I456 VanDerWaalsContact CE2-CG2 3.46Å; F156-E457 HydrophobicContact CE1-CB 4.32Å; F156-E457 HydrophobicContact CE2-CB 4.31Å; F156-E457 HydrophobicContact CZ-CB 4.19Å; F156-V460 HydrophobicContact CB-CB 3.9Å; F156-V460 HydrophobicContact CB-CG1 3.64Å; F156-V460 HydrophobicContact CB-CG2 4.13Å; F156-V460 HydrophobicContact CD2-CG2 4.22Å
157N97.4Very high92.9Very high3 Ų334.4 Ų34.42%0.01617%0.171CC..Hα-helixtrans-65-46.7176.3-82.8-61.3000112.1V153 E154 V155 Q159 S160 R161 D349 A350 W464V153-N157 VanDerWaalsContact CG1-ND2 3.34Å; V153-N157 WeakPolarHBondContact CG1-ND2 3.49Å; V153-N157 WeakPolarHBondContact O-CB 3.33Å; V153-N157 PolarHBondContact O-N 3.38Å; V153-N157 PolarHBondContact O-ND2 3.39Å; E154-N157 PolarHBondContact O-N 3.22Å; V155-N157 VanDerWaalsContact C-N 3.3Å; V155-N157 PolarHBondContact O-N 3.09Å; N157-Q159 PolarHBondContact O-N 3.31Å; N157-S160 WeakPolarHBondContact O-CB 3.48Å; N157-S160 PolarHBondContact O-N 3.18Å; N157-R161 PolarHBondContact O-N 3.15Å; N157-D349 HydrophobicContact CB-CB 4.3Å; N157-D349 WeakPolarHBondContact CB-OD1 3.07Å; N157-D349 VanDerWaalsContact CG-OD1 3.28Å; N157-D349 PolarHBondContact OD1-OD1 3.18Å; N157-A350 PolarHBondContact ND2-O 3.04Å; N157-A350 PolarHBondContact OD1-N 3.42Å; N157-W464 PolarHBondContact OD1-NE1 2.8Å
158Q95.7Very high93.5Very high64 Ų6430.7 Ų30.730%0.29915%0.151SC..Hα-helixtrans-57.9-47.8178.7-73.9175.79.700111.5E154 V155 R161 V162E154-Q158 VanDerWaalsContact O-CG 3.29Å; E154-Q158 WeakPolarHBondContact O-CG 3.35Å; E154-Q158 PolarHBondContact O-N 2.91Å; E154-Q158 PolarHBondContact OE1-NE2 3.06Å; V155-Q158 PolarHBondContact O-N 3.28Å; Q158-R161 PolarHBondContact O-N 2.72Å; Q158-V162 PolarHBondContact O-N 3.24Å
159Q97Very high94Very high13 Ų1332.8 Ų32.86%0.06116%0.16CC..Hα-helixtrans-70.5-31.6179.1-61.3-55.3-25.300112.5V155 N157 V162 L163 D190 I191 E194 Q204V155-Q159 HydrophobicContact CG1-CG 4.27Å; V155-Q159 WeakPolarHBondContact O-CG 3.37Å; V155-Q159 PolarHBondContact O-N 3.28Å; N157-Q159 PolarHBondContact O-N 3.31Å; Q159-V162 PolarHBondContact O-N 3.49Å; Q159-L163 PolarHBondContact O-N 3.36Å; Q159-D190 HydrophobicContact CG-CB 4.27Å; Q159-I191 HydrophobicContact CB-CD1 4Å; Q159-I191 HydrophobicContact CB-CG1 3.51Å; Q159-I191 HydrophobicContact CG-CG1 3.67Å; Q159-E194 PolarHBondContact NE2-OE2 3.05Å; Q159-Q204 PolarHBondContact O-NE2 3.49Å; Q159-Q204 VanDerWaalsContact OE1-NE2 3.14Å
160S97.5Very high94.4Very high0 Ų034.7 Ų34.70%017%0.17CC..Hα-helixtrans-64.3-37.4172.7-620000112.6F156 N157 L163 L164 I461F156-S160 VanDerWaalsContact O-CB 3.25Å; F156-S160 WeakPolarHBondContact O-CB 3.38Å; F156-S160 PolarHBondContact O-N 2.86Å; F156-S160 PolarHBondContact O-OG 3.38Å; N157-S160 WeakPolarHBondContact O-CB 3.48Å; N157-S160 PolarHBondContact O-N 3.18Å; S160-L163 WeakPolarHBondContact O-CB 3.26Å; S160-L163 PolarHBondContact O-N 3.24Å; S160-L164 WeakPolarHBondContact O-CB 3.34Å; S160-L164 PolarHBondContact O-N 3.35Å; S160-I461 WeakPolarHBondContact OG-CG1 3.44Å
161R96.1Very high94.7Very high72 Ų7232.3 Ų32.327%0.27216%0.162SC..Hα-helixtrans-62.7-44.3174.1-72-170.7-179.197.4-12112N157 Q158 L163 L164 S165 D349 W464 I506N157-R161 PolarHBondContact O-N 3.15Å; Q158-R161 PolarHBondContact O-N 2.72Å; R161-L163 VanDerWaalsContact C-N 3.28Å; R161-L163 PolarHBondContact O-N 2.86Å; R161-L164 PolarHBondContact O-N 2.97Å; R161-L164 VanDerWaalsContact O-N 3.16Å; R161-S165 PolarHBondContact O-N 3.22Å; R161-S165 PolarHBondContact O-OG 2.84Å; R161-S165 VanDerWaalsContact O-OG 3.06Å; R161-D349 VanDerWaalsContact CZ-CG 3.5Å; R161-D349 IonicContact CZ-OD1 3.36Å; R161-D349 IonicContact CZ-OD2 3.26Å; R161-D349 IonicContact NE-OD1 2.64Å; R161-D349 VanDerWaalsContact NH1-CG 3.28Å; R161-D349 IonicContact NH1-OD1 3.62Å; R161-D349 PolarHBondContact NH1-OD1 3.5Å; R161-D349 IonicContact NH1-OD2 3.43Å; R161-D349 PolarHBondContact NH1-OD2 2.92Å; R161-D349 IonicContact NH2-OD1 2.65Å; R161-D349 PolarHBondContact NH2-OD1 3.43Å; R161-D349 IonicContact NH2-OD2 3.85Å; R161-D349 PolarHBondContact NH2-OD2 2.92Å; R161-W464 HydrophobicContact CG-CH2 3.9Å; R161-W464 HydrophobicContact CG-CZ2 3.98Å; R161-W464 HydrophobicContact CG-CZ3 4.34Å; R161-I506 HydrophobicContact CB-CD1 4.01Å; R161-I506 HydrophobicContact CB-CG2 4.33Å; R161-I506 HydrophobicContact CG-CD1 3.94Å
162V96.7Very high95.1Very high35 Ų3534.1 Ų34.121%0.21217%0.165CC..Hα-helixtrans-60.1-41.5176.4178.30000111Q158 Q159 K166 Q204Q158-V162 PolarHBondContact O-N 3.24Å; Q159-V162 PolarHBondContact O-N 3.49Å; V162-K166 PolarHBondContact O-N 3.25Å; V162-Q204 HydrophobicContact CG1-CB 3.89Å
163L97.4Very high95.3Very high0 Ų038.8 Ų38.80%019%0.187CC..Hα-helixtrans-60.2-46.8174.6173.760.5000111.3Q159 S160 R161 K166 I167 H183 V184 C187 Q204 I461 I465Q159-L163 PolarHBondContact O-N 3.36Å; S160-L163 WeakPolarHBondContact O-CB 3.26Å; S160-L163 PolarHBondContact O-N 3.24Å; R161-L163 VanDerWaalsContact C-N 3.28Å; R161-L163 PolarHBondContact O-N 2.86Å; L163-K166 WeakPolarHBondContact O-CB 3.32Å; L163-K166 PolarHBondContact O-N 2.98Å; L163-I167 HydrophobicContact CD1-CD1 3.94Å; L163-I167 HydrophobicContact CD1-CG1 4.32Å; L163-I167 HydrophobicContact CG-CD1 4.02Å; L163-I167 WeakPolarHBondContact O-CG1 3.33Å; L163-I167 PolarHBondContact O-N 3.41Å; L163-H183 HydrophobicContact CD1-CB 3.54Å; L163-V184 HydrophobicContact CD2-CG2 4.31Å; L163-C187 HydrophobicContact CB-CB 4.25Å; L163-C187 HydrophobicContact CD1-CB 4.49Å; L163-C187 HydrophobicContact CD2-CB 4.04Å; L163-Q204 VanDerWaalsContact N-OE1 3.14Å; L163-I461 HydrophobicContact CD2-CG2 3.79Å; L163-I465 HydrophobicContact CD2-CD1 4.15Å
164L95.9Very high95.3Very high0 Ų041 Ų410%021%0.211CC..Hα-helixtrans-66.8-40.5179.9-95.946.6000112.9S160 R161 K166 I167 D168 W464 I465 F468 F469 L504 I506S160-L164 WeakPolarHBondContact O-CB 3.34Å; S160-L164 PolarHBondContact O-N 3.35Å; R161-L164 PolarHBondContact O-N 2.97Å; R161-L164 VanDerWaalsContact O-N 3.16Å; L164-K166 PolarHBondContact O-N 3.18Å; L164-I167 PolarHBondContact O-N 3.47Å; L164-D168 WeakPolarHBondContact O-CB 3.33Å; L164-D168 PolarHBondContact O-N 3.14Å; L164-W464 HydrophobicContact CD1-CB 4.2Å; L164-W464 HydrophobicContact CD2-CB 3.69Å; L164-W464 HydrophobicContact CD2-CD2 3.89Å; L164-W464 HydrophobicContact CD2-CE3 3.24Å; L164-W464 HydrophobicContact CD2-CG 4.12Å; L164-W464 HydrophobicContact CD2-CZ3 4.12Å; L164-I465 HydrophobicContact CD1-CG1 3.83Å; L164-F468 HydrophobicContact CD2-CD2 3.88Å; L164-F468 HydrophobicContact CD2-CE2 4.44Å; L164-F469 HydrophobicContact CG-CE2 4.34Å; L164-L504 HydrophobicContact CB-CD2 4.44Å; L164-L504 HydrophobicContact CD2-CD1 4.2Å; L164-I506 HydrophobicContact CB-CD1 4.02Å; L164-I506 HydrophobicContact CD2-CD1 4.4Å
165S95Very high95.4Very high48 Ų4839.8 Ų39.834%0.33621%0.208SC..Hα-helixtrans-57.2-37173.8-54.90000111.5R161 Q169 I506R161-S165 PolarHBondContact O-N 3.22Å; R161-S165 PolarHBondContact O-OG 2.84Å; R161-S165 VanDerWaalsContact O-OG 3.06Å; S165-Q169 VanDerWaalsContact O-CB 3.29Å; S165-Q169 WeakPolarHBondContact O-CB 3.43Å; S165-Q169 PolarHBondContact O-N 3.2Å; S165-I506 WeakPolarHBondContact OG-CG2 3.45Å
166K94.5Very high95.4Very high59 Ų5945.6 Ų45.626%0.25724%0.235SC..Hα-helixtrans-70.2-47.5176.9-75.9162.7158.7-84.50112.5V162 L163 L164 D168 Q169 L170 Q204V162-K166 PolarHBondContact O-N 3.25Å; L163-K166 WeakPolarHBondContact O-CB 3.32Å; L163-K166 PolarHBondContact O-N 2.98Å; L164-K166 PolarHBondContact O-N 3.18Å; K166-D168 VanDerWaalsContact C-N 3.32Å; K166-Q169 PolarHBondContact O-N 3.02Å; K166-L170 WeakPolarHBondContact O-CG 3.35Å; K166-L170 PolarHBondContact O-N 3.02Å; K166-Q204 HydrophobicContact CD-CB 4.35Å; K166-Q204 VanDerWaalsContact CE-C 3.41Å; K166-Q204 WeakPolarHBondContact CE-O 3.34Å; K166-Q204 PolarHBondContact NZ-O 2.76Å
167I95.5Very high95.3Very high0 Ų052.7 Ų52.70%027%0.266CS..Hα-helixtrans-62.2-44.7177.2-67.1172000109.6L163 L164 Q169 L170 V171 F469 F498L163-I167 HydrophobicContact CD1-CD1 3.94Å; L163-I167 HydrophobicContact CD1-CG1 4.32Å; L163-I167 HydrophobicContact CG-CD1 4.02Å; L163-I167 WeakPolarHBondContact O-CG1 3.33Å; L163-I167 PolarHBondContact O-N 3.41Å; L164-I167 PolarHBondContact O-N 3.47Å; I167-Q169 PolarHBondContact O-N 3.04Å; I167-L170 PolarHBondContact O-N 3.41Å; I167-V171 HydrophobicContact CG2-CG2 4.42Å; I167-V171 VanDerWaalsContact O-CG2 3.32Å; I167-V171 WeakPolarHBondContact O-CG2 3.47Å; I167-V171 PolarHBondContact O-N 2.9Å; I167-F469 HydrophobicContact CG2-CD2 4.34Å; I167-F469 HydrophobicContact CG2-CE1 4.39Å; I167-F469 HydrophobicContact CG2-CE2 3.98Å; I167-F469 HydrophobicContact CG2-CZ 4.01Å; I167-F498 HydrophobicContact CD1-CE1 4.17Å; I167-F498 HydrophobicContact CD1-CZ 4.34Å; I167-F498 HydrophobicContact CG2-CB 4.2Å; I167-F498 HydrophobicContact CG2-CD1 3.72Å; I167-F498 HydrophobicContact CG2-CD2 4.29Å; I167-F498 HydrophobicContact CG2-CE1 4.13Å; I167-F498 HydrophobicContact CG2-CG 3.82Å
168D93.8Very high95.2Very high9 Ų952.8 Ų52.85%0.04827%0.266CS..Hα-helixtrans-61.1-44178.7-175.459.5000111.9L164 K166 L170 V171 K172 F469 R500 L504L164-D168 WeakPolarHBondContact O-CB 3.33Å; L164-D168 PolarHBondContact O-N 3.14Å; K166-D168 VanDerWaalsContact C-N 3.32Å; D168-L170 PolarHBondContact O-N 3.43Å; D168-V171 CarbonylContact O-C 3.6Å; D168-V171 PolarHBondContact O-N 3.08Å; D168-K172 WeakPolarHBondContact O-CG 3.13Å; D168-K172 PolarHBondContact O-N 3.23Å; D168-K172 WeakPolarHBondContact OD2-CE 3.36Å; D168-K172 IonicContact OD2-NZ 2.79Å; D168-K172 PolarHBondContact OD2-NZ 2.88Å; D168-F469 HydrophobicContact CB-CZ 4.04Å; D168-R500 PolarHBondContact O-NH2 3.47Å; D168-R500 IonicContact OD1-CZ 3.7Å; D168-R500 VanDerWaalsContact OD1-CZ 3.24Å; D168-R500 IonicContact OD1-NE 3.56Å; D168-R500 PolarHBondContact OD1-NE 2.96Å; D168-R500 IonicContact OD1-NH2 3.56Å; D168-R500 PolarHBondContact OD1-NH2 3.46Å; D168-R500 IonicContact OD2-NH2 3.91Å; D168-L504 HydrophobicContact CB-CD2 3.69Å
169Q94.4Very high95.1Very high91 Ų9151.8 Ų51.843%0.42526%0.263SS..Hα-helixtrans-59.9-45.7175.2-177.659.623.800111.7S165 K166 I167 V171 K172 E173S165-Q169 VanDerWaalsContact O-CB 3.29Å; S165-Q169 WeakPolarHBondContact O-CB 3.43Å; S165-Q169 PolarHBondContact O-N 3.2Å; K166-Q169 PolarHBondContact O-N 3.02Å; I167-Q169 PolarHBondContact O-N 3.04Å; Q169-V171 VanDerWaalsContact C-N 3.28Å; Q169-V171 PolarHBondContact O-N 3.5Å; Q169-K172 WeakPolarHBondContact O-CB 3.4Å; Q169-K172 PolarHBondContact O-N 3.12Å; Q169-K172 VanDerWaalsContact O-N 3.16Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.2Å; Q169-E173 PolarHBondContact NE2-OE1 3.29Å; Q169-E173 WeakPolarHBondContact O-CG 3.34Å; Q169-E173 PolarHBondContact O-N 3.1Å
170L95.4Very high94.8Very high41 Ų4151.1 Ų51.122%0.21526%0.26CS..Hα-helixtrans-60.7-39.1176.4-69.8170.4000111.8K166 I167 D168 E173 G174 N175 I178 H183K166-L170 WeakPolarHBondContact O-CG 3.35Å; K166-L170 PolarHBondContact O-N 3.02Å; I167-L170 PolarHBondContact O-N 3.41Å; D168-L170 PolarHBondContact O-N 3.43Å; L170-E173 PolarHBondContact O-N 3.28Å; L170-G174 PolarHBondContact O-N 3.46Å; L170-N175 HydrophobicContact CB-CB 4.32Å; L170-N175 WeakPolarHBondContact CD2-ND2 3.45Å; L170-N175 VanDerWaalsContact O-CB 3.26Å; L170-N175 WeakPolarHBondContact O-CB 3.4Å; L170-N175 PolarHBondContact O-N 2.96Å; L170-N175 PolarHBondContact O-ND2 2.71Å; L170-N175 VanDerWaalsContact O-ND2 3.16Å; L170-I178 HydrophobicContact CB-CD1 3.76Å; L170-I178 HydrophobicContact CB-CG1 4.39Å; L170-I178 HydrophobicContact CD1-CD1 4.3Å; L170-I178 HydrophobicContact CD1-CG1 4.48Å; L170-I178 HydrophobicContact CD1-CG2 3.96Å; L170-H183 WeakPolarHBondContact CD1-NE2 3.37Å
171V94.4Very high94.5Very high28 Ų2853 Ų5317%0.1727%0.267CS..Hα-helixtrans-68-39.8175.4173.50000111.5I167 D168 Q169 E173 G174 I178 F469 F498I167-V171 HydrophobicContact CG2-CG2 4.42Å; I167-V171 VanDerWaalsContact O-CG2 3.32Å; I167-V171 WeakPolarHBondContact O-CG2 3.47Å; I167-V171 PolarHBondContact O-N 2.9Å; D168-V171 CarbonylContact O-C 3.6Å; D168-V171 PolarHBondContact O-N 3.08Å; Q169-V171 VanDerWaalsContact C-N 3.28Å; Q169-V171 PolarHBondContact O-N 3.5Å; V171-E173 VanDerWaalsContact C-N 3.27Å; V171-E173 PolarHBondContact O-N 2.98Å; V171-G174 PolarHBondContact O-N 2.88Å; V171-I178 HydrophobicContact CG2-CD1 4.04Å; V171-F469 HydrophobicContact CG2-CE1 4.15Å; V171-F498 HydrophobicContact CG2-CB 3.76Å
172K93.6Very high94.3Very high133 Ų13353.4 Ų53.458%0.57827%0.272SS*.Hα-helixtrans-60.4-37.8173.8-72.3179.8173.5146.10111.8D168 Q169 G174D168-K172 WeakPolarHBondContact O-CG 3.13Å; D168-K172 PolarHBondContact O-N 3.23Å; D168-K172 WeakPolarHBondContact OD2-CE 3.36Å; D168-K172 IonicContact OD2-NZ 2.79Å; D168-K172 PolarHBondContact OD2-NZ 2.88Å; Q169-K172 WeakPolarHBondContact O-CB 3.4Å; Q169-K172 PolarHBondContact O-N 3.12Å; Q169-K172 VanDerWaalsContact O-N 3.16Å; K172-G174 PolarHBondContact O-N 3.33Å
173E95.4Very high94.2Very high115 Ų11553.2 Ų53.254%0.53727%0.268SS..THydrogen-bonded Turntrans-73.9-2.4176.9-69.8169.3-174.800113.3Q169 L170 V171 N175Q169-E173 WeakPolarHBondContact CG-OE1 3.2Å; Q169-E173 PolarHBondContact NE2-OE1 3.29Å; Q169-E173 WeakPolarHBondContact O-CG 3.34Å; Q169-E173 PolarHBondContact O-N 3.1Å; L170-E173 PolarHBondContact O-N 3.28Å; V171-E173 VanDerWaalsContact C-N 3.27Å; V171-E173 PolarHBondContact O-N 2.98Å; E173-N175 PolarHBondContact OE2-ND2 2.86Å
174G93Very high94.1Very high54 Ų5453.2 Ų53.256%0.55727%0.268SS*.THydrogen-bonded Turntrans80.317.9178.600000114.2L170 V171 K172 E176L170-G174 PolarHBondContact O-N 3.46Å; V171-G174 PolarHBondContact O-N 2.88Å; K172-G174 PolarHBondContact O-N 3.33Å; G174-E176 PolarHBondContact O-N 2.99Å
175N94.5Very high94Very high68 Ų6853.2 Ų53.236%0.36427%0.268SS..  trans-72.2110.1177.6-68.2-62.6000111.2L170 E173 I178L170-N175 HydrophobicContact CB-CB 4.32Å; L170-N175 WeakPolarHBondContact CD2-ND2 3.45Å; L170-N175 VanDerWaalsContact O-CB 3.26Å; L170-N175 WeakPolarHBondContact O-CB 3.4Å; L170-N175 PolarHBondContact O-N 2.96Å; L170-N175 PolarHBondContact O-ND2 2.71Å; L170-N175 VanDerWaalsContact O-ND2 3.16Å; E173-N175 PolarHBondContact OE2-ND2 2.86Å; N175-I178 HydrophobicContact CB-CG1 4.37Å
176E92.6Very high93.9Very high124 Ų12451.1 Ų51.158%0.57925%0.254SS*.  trans-88.3-7.2177.1-58.9-167134.100113.9G174G174-E176 PolarHBondContact O-N 2.99Å
177K95.3Very high94Very high150 Ų15048.3 Ų48.365%0.65224%0.241SC*.  trans-127.283-174.6-59-170.9178.9172.50110.7L474 L495K177-L474 HydrophobicContact CB-CD1 4.16Å; K177-L474 HydrophobicContact CD-CD1 4.34Å; K177-L474 HydrophobicContact CG-CD1 3.64Å; K177-L495 HydrophobicContact CB-CD1 4.32Å
178I96.2Very high94Very high4 Ų448.3 Ų48.32%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-96.7129.9-176.5-57-177.1000110L170 V171 N175 T180 L495 M496 F498L170-I178 HydrophobicContact CB-CD1 3.76Å; L170-I178 HydrophobicContact CB-CG1 4.39Å; L170-I178 HydrophobicContact CD1-CD1 4.3Å; L170-I178 HydrophobicContact CD1-CG1 4.48Å; L170-I178 HydrophobicContact CD1-CG2 3.96Å; V171-I178 HydrophobicContact CG2-CD1 4.04Å; N175-I178 HydrophobicContact CB-CG1 4.37Å; I178-T180 VanDerWaalsContact C-N 3.35Å; I178-T180 PolarHBondContact O-N 2.92Å; I178-T180 VanDerWaalsContact O-N 3.11Å; I178-L495 WeakPolarHBondContact O-CA 3.45Å; I178-M496 PolarHBondContact N-O 3.48Å; I178-M496 PolarHBondContact O-N 3.41Å; I178-F498 HydrophobicContact CB-CD2 4.23Å; I178-F498 HydrophobicContact CB-CE2 4.16Å; I178-F498 HydrophobicContact CD1-CD2 3.88Å; I178-F498 HydrophobicContact CG1-CD2 4.45Å; I178-F498 HydrophobicContact CG2-CE2 4.28Å
179N93.6Very high93.9Very high43 Ų4347.9 Ų47.923%0.2324%0.239CC..EExtended strand (participates in β ladder)trans-80.582.7170.4-179.610.3000110Y181 Q182 H183 T493 L495N179-Y181 VanDerWaalsContact C-N 3.25Å; N179-Y181 PolarHBondContact O-N 3.01Å; N179-Q182 PolarHBondContact O-N 3.3Å; N179-H183 PolarHBondContact O-CD2 3.46Å; N179-H183 VanDerWaalsContact O-CD2 3.29Å; N179-T493 HydrophobicContact CB-CG2 4.25Å; N179-T493 WeakPolarHBondContact OD1-CG2 3.41Å; N179-L495 HydrophobicContact CB-CD2 4.1Å
180T90.9Very high93.8Very high0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-59.2-35.3-176-490000113.1I178 Q182 H183 V184 L322 M496 F498I178-T180 VanDerWaalsContact C-N 3.35Å; I178-T180 PolarHBondContact O-N 2.92Å; I178-T180 VanDerWaalsContact O-N 3.11Å; T180-Q182 VanDerWaalsContact C-N 3.33Å; T180-Q182 PolarHBondContact O-N 3.15Å; T180-H183 PolarHBondContact O-N 3.44Å; T180-V184 HydrophobicContact CG2-CG2 3.79Å; T180-V184 WeakPolarHBondContact O-CB 3.5Å; T180-V184 WeakPolarHBondContact O-CG2 3.45Å; T180-V184 PolarHBondContact O-N 2.93Å; T180-L322 HydrophobicContact CG2-CD1 3.5Å; T180-L322 VanDerWaalsContact CG2-CD1 3.5Å; T180-M496 HydrophobicContact CG2-SD 4.08Å; T180-M496 PolarHBondContact OG1-SD 3.12Å; T180-F498 HydrophobicContact CG2-CE2 4.47Å; T180-F498 HydrophobicContact CG2-CZ 3.83Å; T180-F498 WeakPolarHBondContact OG1-CE2 3.39Å; T180-F498 WeakPolarHBondContact OG1-CZ 3.5Å
181Y90.5Very high93.7Very high39 Ų3941.7 Ų41.715%0.15321%0.209CC..Hα-helixtrans-54.9-48.1-179.9-175.9-96000111.5N179 H183 V184 T185 D312 N319 R489N179-Y181 VanDerWaalsContact C-N 3.25Å; N179-Y181 PolarHBondContact O-N 3.01Å; Y181-H183 VanDerWaalsContact C-N 3.35Å; Y181-H183 PolarHBondContact O-N 2.92Å; Y181-V184 PolarHBondContact O-N 3.27Å; Y181-T185 WeakPolarHBondContact O-CB 3.48Å; Y181-T185 PolarHBondContact O-N 3.05Å; Y181-T185 PolarHBondContact O-OG1 3.41Å; Y181-D312 PolarHBondContact OH-OD1 3.48Å; Y181-N319 HydrophobicContact CD2-CB 3.67Å; Y181-N319 HydrophobicContact CE2-CB 4.46Å; Y181-R489 WeakPolarHBondContact OH-CD 3.36Å; Y181-R489 PolarHBondContact OH-NE 2.96Å
182Q91.2Very high93.4Very high81 Ų8140.6 Ų40.638%0.37920%0.202SC..Hα-helixtrans-58.9-45.8180-179.2177.3-4.800111.8N179 T180 L186N179-Q182 PolarHBondContact O-N 3.3Å; T180-Q182 VanDerWaalsContact C-N 3.33Å; T180-Q182 PolarHBondContact O-N 3.15Å; Q182-L186 HydrophobicContact CG-CD1 4.29Å; Q182-L186 VanDerWaalsContact O-CG 3.25Å; Q182-L186 WeakPolarHBondContact O-CG 3.32Å; Q182-L186 PolarHBondContact O-N 3.49Å; Q182-L186 VanDerWaalsContact O-N 3.16Å
183H94.8Very high93Very high30 Ų3034.3 Ų34.314%0.13918%0.175CC..Hα-helixtrans-69.2-43.4-177.9-65-70000112.3L163 L170 N179 T180 Y181 L186 C187L163-H183 HydrophobicContact CD1-CB 3.54Å; L170-H183 WeakPolarHBondContact CD1-NE2 3.37Å; N179-H183 PolarHBondContact O-CD2 3.46Å; N179-H183 VanDerWaalsContact O-CD2 3.29Å; T180-H183 PolarHBondContact O-N 3.44Å; Y181-H183 VanDerWaalsContact C-N 3.35Å; Y181-H183 PolarHBondContact O-N 2.92Å; H183-L186 PolarHBondContact O-N 3.41Å; H183-C187 PolarHBondContact O-N 3.29Å
184V95.4Very high92.6Very high0 Ų029.4 Ų29.40%015%0.152CC..Hα-helixtrans-67.2-40.1178.9173.30000111.4L163 T180 Y181 L186 C187 A188 M318 L322 I465L163-V184 HydrophobicContact CD2-CG2 4.31Å; T180-V184 HydrophobicContact CG2-CG2 3.79Å; T180-V184 WeakPolarHBondContact O-CB 3.5Å; T180-V184 WeakPolarHBondContact O-CG2 3.45Å; T180-V184 PolarHBondContact O-N 2.93Å; Y181-V184 PolarHBondContact O-N 3.27Å; V184-L186 PolarHBondContact O-N 2.94Å; V184-C187 WeakPolarHBondContact O-CB 3.38Å; V184-C187 PolarHBondContact O-N 3.19Å; V184-A188 PolarHBondContact O-N 3.38Å; V184-M318 HydrophobicContact CG1-CB 3.75Å; V184-M318 HydrophobicContact CG1-CE 3.55Å; V184-M318 HydrophobicContact CG1-CG 4.43Å; V184-M318 HydrophobicContact CG1-SD 3.9Å; V184-L322 HydrophobicContact CG2-CD1 4.26Å; V184-I465 HydrophobicContact CG2-CD1 4.47Å
185T93.4Very high92.3Very high0 Ų027 Ų270%013%0.127CC..Hα-helixtrans-64.3-39.9176.2-58.30000112.2Y181 C187 A188 L189 Y216 S315Y181-T185 WeakPolarHBondContact O-CB 3.48Å; Y181-T185 PolarHBondContact O-N 3.05Å; Y181-T185 PolarHBondContact O-OG1 3.41Å; T185-C187 VanDerWaalsContact C-N 3.34Å; T185-A188 PolarHBondContact O-N 3.34Å; T185-L189 WeakPolarHBondContact O-CB 3.37Å; T185-L189 PolarHBondContact O-N 2.9Å; T185-Y216 WeakPolarHBondContact CB-OH 3.48Å; T185-Y216 HydrophobicContact CG2-CE1 4.02Å; T185-Y216 WeakPolarHBondContact CG2-OH 3.34Å; T185-S315 VanDerWaalsContact CA-CB 3.47Å; T185-S315 VanDerWaalsContact OG1-CB 3.3Å; T185-S315 WeakPolarHBondContact OG1-CB 3.42Å; T185-S315 PolarHBondContact OG1-OG 3.16Å
186L94.1Very high91.4Very high4 Ų424 Ų242%0.02111%0.111CC..Hα-helixtrans-67-35.5175.5-66.7171.2000112.2Q182 H183 V184 L189 D190 A203 Q204 V212 Y216Q182-L186 HydrophobicContact CG-CD1 4.29Å; Q182-L186 VanDerWaalsContact O-CG 3.25Å; Q182-L186 WeakPolarHBondContact O-CG 3.32Å; Q182-L186 PolarHBondContact O-N 3.49Å; Q182-L186 VanDerWaalsContact O-N 3.16Å; H183-L186 PolarHBondContact O-N 3.41Å; V184-L186 PolarHBondContact O-N 2.94Å; L186-L189 PolarHBondContact O-N 3.23Å; L186-D190 PolarHBondContact O-N 3.22Å; L186-A203 HydrophobicContact CD2-CB 4.08Å; L186-Q204 HydrophobicContact CB-CG 3.99Å; L186-V212 HydrophobicContact CD2-CG1 3.76Å; L186-Y216 HydrophobicContact CD2-CE2 4Å
187C97.1Very high90.5Very high0 Ų018.8 Ų18.80%09%0.087CC..Hα-helixtrans-62.9-51.2173.2-177.50000111.5L163 H183 V184 T185 L189 D190 I191 Q204L163-C187 HydrophobicContact CB-CB 4.25Å; L163-C187 HydrophobicContact CD1-CB 4.49Å; L163-C187 HydrophobicContact CD2-CB 4.04Å; H183-C187 PolarHBondContact O-N 3.29Å; V184-C187 WeakPolarHBondContact O-CB 3.38Å; V184-C187 PolarHBondContact O-N 3.19Å; T185-C187 VanDerWaalsContact C-N 3.34Å; C187-L189 PolarHBondContact O-N 3.07Å; C187-D190 PolarHBondContact O-N 3.36Å; C187-D190 VanDerWaalsContact O-N 3.15Å; C187-I191 WeakPolarHBondContact O-CG1 3.1Å; C187-I191 PolarHBondContact O-N 3.17Å; C187-Q204 HydrophobicContact CB-CG 4.34Å
188A95Very high89.5Confident0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-60-36.2176.800000112V184 T185 I191 I192 H311 M318V184-A188 PolarHBondContact O-N 3.38Å; T185-A188 PolarHBondContact O-N 3.34Å; A188-I191 PolarHBondContact O-N 3.25Å; A188-I192 WeakPolarHBondContact O-CG2 3.15Å; A188-I192 PolarHBondContact O-N 3.29Å; A188-H311 HydrophobicContact CB-CB 4.08Å; A188-M318 HydrophobicContact CB-CE 4.39Å
189L91.4Very high88.5Confident1 Ų116.9 Ų16.91%0.0059%0.091CC..Hα-helixtrans-64.9-45.8175.1-175.959.8000111.9T185 L186 C187 I191 I192 C193 A203 Y211 V212 M307 H311T185-L189 WeakPolarHBondContact O-CB 3.37Å; T185-L189 PolarHBondContact O-N 2.9Å; L186-L189 PolarHBondContact O-N 3.23Å; C187-L189 PolarHBondContact O-N 3.07Å; L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 2.81Å; L189-I192 HydrophobicContact CD1-CG2 4.34Å; L189-I192 WeakPolarHBondContact O-CG2 3.25Å; L189-C193 WeakPolarHBondContact O-CB 3.43Å; L189-C193 PolarHBondContact O-N 3.43Å; L189-C193 PolarHBondContact O-SG 2.86Å; L189-A203 HydrophobicContact CB-CB 4.34Å; L189-A203 HydrophobicContact CD2-CB 3.86Å; L189-A203 HydrophobicContact CG-CB 4.15Å; L189-Y211 HydrophobicContact CD1-CE1 4.46Å; L189-V212 HydrophobicContact CD2-CG2 4.03Å; L189-M307 HydrophobicContact CD1-CE 3.64Å; L189-H311 HydrophobicContact CB-CB 4.23Å; L189-H311 HydrophobicContact CD1-CB 4.39Å
190D92.5Very high87.9Confident1 Ų120 Ų201%0.00510%0.104CC..Hα-helixtrans-63.3-39.3175.4-87.9-29.7000112Q159 L186 C187 C193 E194 N202 A203 Q204Q159-D190 HydrophobicContact CG-CB 4.27Å; L186-D190 PolarHBondContact O-N 3.22Å; C187-D190 PolarHBondContact O-N 3.36Å; C187-D190 VanDerWaalsContact O-N 3.15Å; D190-C193 PolarHBondContact O-N 3.27Å; D190-E194 WeakPolarHBondContact O-CB 3.36Å; D190-E194 PolarHBondContact O-N 3.33Å; D190-N202 VanDerWaalsContact OD1-CA 3.27Å; D190-N202 WeakPolarHBondContact OD1-CA 3.35Å; D190-N202 PolarHBondContact OD1-N 2.65Å; D190-A203 VanDerWaalsContact CG-N 3.26Å; D190-A203 PolarHBondContact OD1-N 3.42Å; D190-A203 PolarHBondContact OD2-N 2.83Å; D190-Q204 WeakPolarHBondContact OD2-CB 3.22Å; D190-Q204 VanDerWaalsContact OD2-CG 3.3Å; D190-Q204 WeakPolarHBondContact OD2-CG 3.27Å; D190-Q204 PolarHBondContact OD2-N 2.83Å
191I93.4Very high87.4Confident0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-60.6-51.9176.7-76.4171.1000111.4F156 Q159 C187 A188 L189 C193 E194 T195 F453 E457 I461F156-I191 HydrophobicContact CD1-CB 4.41Å; F156-I191 HydrophobicContact CD1-CD1 4.12Å; F156-I191 HydrophobicContact CD1-CG1 4.2Å; F156-I191 HydrophobicContact CD1-CG2 3.37Å; F156-I191 HydrophobicContact CE1-CG2 3.3Å; Q159-I191 HydrophobicContact CB-CD1 4Å; Q159-I191 HydrophobicContact CB-CG1 3.51Å; Q159-I191 HydrophobicContact CG-CG1 3.67Å; C187-I191 WeakPolarHBondContact O-CG1 3.1Å; C187-I191 PolarHBondContact O-N 3.17Å; A188-I191 PolarHBondContact O-N 3.25Å; L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 2.81Å; I191-C193 VanDerWaalsContact C-N 3.31Å; I191-C193 PolarHBondContact O-N 3.18Å; I191-E194 PolarHBondContact O-N 2.89Å; I191-T195 HydrophobicContact CG2-CG2 4.4Å; I191-T195 WeakPolarHBondContact O-CB 3.26Å; I191-T195 WeakPolarHBondContact O-CG2 3.26Å; I191-T195 PolarHBondContact O-N 2.78Å; I191-T195 PolarHBondContact O-OG1 3.01Å; I191-F453 HydrophobicContact CG2-CE1 4.38Å; I191-F453 HydrophobicContact CG2-CZ 3.87Å; I191-E457 HydrophobicContact CD1-CG 4.18Å; I191-E457 HydrophobicContact CG2-CG 4.38Å; I191-E457 WeakPolarHBondContact CG2-OE1 3.33Å; I191-I461 HydrophobicContact CD1-CD1 3.55Å; I191-I461 HydrophobicContact CD1-CG1 4.1Å
192I88.8Confident87.2Confident6 Ų623.2 Ų23.23%0.03113%0.125CC..Hα-helixtrans-68.4-34.2-179-166.365.8000111.1A188 L189 E194 A196 F306 M307 H311 F453A188-I192 WeakPolarHBondContact O-CG2 3.15Å; A188-I192 PolarHBondContact O-N 3.29Å; L189-I192 HydrophobicContact CD1-CG2 4.34Å; L189-I192 WeakPolarHBondContact O-CG2 3.25Å; I192-E194 VanDerWaalsContact C-N 3.34Å; I192-E194 PolarHBondContact O-N 2.83Å; I192-A196 HydrophobicContact CD1-CB 3.93Å; I192-A196 HydrophobicContact CG1-CB 4.17Å; I192-A196 WeakPolarHBondContact O-CA 3.37Å; I192-A196 WeakPolarHBondContact O-CB 3.15Å; I192-A196 PolarHBondContact O-N 2.86Å; I192-F306 WeakPolarHBondContact CG1-O 3.39Å; I192-M307 HydrophobicContact CG1-SD 4.25Å; I192-M307 HydrophobicContact CG2-CE 3.74Å; I192-M307 HydrophobicContact CG2-SD 3.93Å; I192-H311 HydrophobicContact CG2-CB 4.11Å; I192-F453 HydrophobicContact CD1-CE1 4.29Å; I192-F453 HydrophobicContact CD1-CZ 4.01Å
193C84.8Confident87.1Confident0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-59.7-45.6172.6-70.20000112L189 D190 I191 M197 G198 R199 V201 M307L189-C193 WeakPolarHBondContact O-CB 3.43Å; L189-C193 PolarHBondContact O-N 3.43Å; L189-C193 PolarHBondContact O-SG 2.86Å; D190-C193 PolarHBondContact O-N 3.27Å; I191-C193 VanDerWaalsContact C-N 3.31Å; I191-C193 PolarHBondContact O-N 3.18Å; C193-M197 HydrophobicContact CB-CE 3.52Å; C193-M197 CarbonylContact O-C 3.57Å; C193-M197 VanDerWaalsContact O-CA 3.3Å; C193-M197 WeakPolarHBondContact O-CA 3.19Å; C193-M197 WeakPolarHBondContact O-CB 3.48Å; C193-M197 PolarHBondContact O-N 3.14Å; C193-M197 WeakPolarHBondContact SG-CE 3.46Å; C193-G198 PolarHBondContact O-N 3.1Å; C193-R199 CarbonylContact C-O 3.6Å; C193-R199 VanDerWaalsContact C-O 3.23Å; C193-R199 WeakPolarHBondContact CB-O 3.34Å; C193-R199 PolarHBondContact O-N 3.21Å; C193-V201 HydrophobicContact CB-CB 4.25Å; C193-V201 HydrophobicContact CB-CG2 3.85Å; C193-V201 WeakPolarHBondContact SG-CG2 3.42Å; C193-M307 HydrophobicContact CB-CE 4.37Å; C193-M307 WeakPolarHBondContact SG-CE 3.3Å
194E87.1Confident87Confident12 Ų1218 Ų186%0.05610%0.101CC..Hα-helixtrans-77.4-41.6-175.1-174.2173.5163.400112V155 Q159 D190 I191 I192 G198 R199 H200 R278V155-E194 HydrophobicContact CG1-CB 3.77Å; V155-E194 VanDerWaalsContact CG1-CD 3.49Å; V155-E194 HydrophobicContact CG1-CG 3.72Å; V155-E194 HydrophobicContact CG2-CG 4.08Å; Q159-E194 PolarHBondContact NE2-OE2 3.05Å; D190-E194 WeakPolarHBondContact O-CB 3.36Å; D190-E194 PolarHBondContact O-N 3.33Å; I191-E194 PolarHBondContact O-N 2.89Å; I192-E194 VanDerWaalsContact C-N 3.34Å; I192-E194 PolarHBondContact O-N 2.83Å; E194-G198 WeakPolarHBondContact O-CA 3.16Å; E194-G198 PolarHBondContact O-N 3.22Å; E194-R199 WeakPolarHBondContact CA-O 3.27Å; E194-R199 PolarHBondContact N-O 3.31Å; E194-H200 IonicContact OE1-CE1 3.92Å; E194-H200 PolarHBondContact OE1-CE1 3.15Å; E194-H200 VanDerWaalsContact OE1-CE1 3.27Å; E194-H200 IonicContact OE1-ND1 3.67Å; E194-H200 IonicContact OE2-CE1 3.87Å; E194-H200 PolarHBondContact OE2-CE1 3Å; E194-H200 IonicContact OE2-ND1 3.83Å; E194-H200 PolarHBondContact OE2-ND1 3.08Å; E194-R278 IonicContact OE1-NH1 3.48Å; E194-R278 PolarHBondContact OE1-NH1 3.11Å
195T85.1Confident86.8Confident4 Ų425.1 Ų25.13%0.02513%0.132CC..Hα-helixtrans-76.3-41.5179.955.50000113.1F152 V155 F156 I191 F453F152-T195 HydrophobicContact CB-CG2 3.85Å; F152-T195 HydrophobicContact CD1-CG2 3.8Å; F152-T195 HydrophobicContact CD2-CG2 4.23Å; F152-T195 HydrophobicContact CE1-CG2 4.4Å; F152-T195 HydrophobicContact CG-CG2 3.71Å; V155-T195 HydrophobicContact CB-CG2 3.92Å; V155-T195 HydrophobicContact CG1-CG2 3.77Å; V155-T195 HydrophobicContact CG2-CG2 4.25Å; F156-T195 HydrophobicContact CD1-CG2 4.49Å; F156-T195 HydrophobicContact CE1-CG2 3.88Å; I191-T195 HydrophobicContact CG2-CG2 4.4Å; I191-T195 WeakPolarHBondContact O-CB 3.26Å; I191-T195 WeakPolarHBondContact O-CG2 3.26Å; I191-T195 PolarHBondContact O-N 2.78Å; I191-T195 PolarHBondContact O-OG1 3.01Å; T195-F453 HydrophobicContact CG2-CE2 4.15Å; T195-F453 HydrophobicContact CG2-CZ 4.44Å; T195-F453 WeakPolarHBondContact OG1-CE2 3.41Å; T195-F453 WeakPolarHBondContact OG1-CZ 3.43Å
196A77.4Confident86.6Confident5 Ų529.2 Ų29.24%0.04115%0.153CC..Hα-helixtrans-84.6-38.4-179.100000112.4I192 F281 L282I192-A196 HydrophobicContact CD1-CB 3.93Å; I192-A196 HydrophobicContact CG1-CB 4.17Å; I192-A196 WeakPolarHBondContact O-CA 3.37Å; I192-A196 WeakPolarHBondContact O-CB 3.15Å; I192-A196 PolarHBondContact O-N 2.86Å; A196-F281 HydrophobicContact CB-CB 4.27Å; A196-F281 HydrophobicContact CB-CD1 4.32Å; A196-F281 WeakPolarHBondContact O-CB 3.4Å; A196-F281 PolarHBondContact O-N 3.44Å; A196-L282 PolarHBondContact O-N 2.65Å
197M73.4Confident86.2Confident14 Ų1430.8 Ų30.87%0.06916%0.164CC..Hα-helixtrans-106.7-8-174.9-44.3-171.4-76.500114.6C193 R199 V201 W257 L282 V303 M307C193-M197 HydrophobicContact CB-CE 3.52Å; C193-M197 CarbonylContact O-C 3.57Å; C193-M197 VanDerWaalsContact O-CA 3.3Å; C193-M197 WeakPolarHBondContact O-CA 3.19Å; C193-M197 WeakPolarHBondContact O-CB 3.48Å; C193-M197 PolarHBondContact O-N 3.14Å; C193-M197 WeakPolarHBondContact SG-CE 3.46Å; M197-R199 PolarHBondContact O-N 2.86Å; M197-V201 HydrophobicContact CE-CG2 4.23Å; M197-W257 HydrophobicContact SD-CH2 3.42Å; M197-W257 WeakPolarHBondContact SD-CH2 3.45Å; M197-W257 HydrophobicContact SD-CZ2 4.34Å; M197-W257 HydrophobicContact SD-CZ3 3.72Å; M197-L282 HydrophobicContact CB-CD2 4.49Å; M197-V303 HydrophobicContact CG-CG1 3.75Å; M197-V303 HydrophobicContact SD-CG1 4.06Å; M197-M307 HydrophobicContact CE-CE 3.84Å; M197-M307 HydrophobicContact CE-CG 4.42Å; M197-M307 HydrophobicContact CE-SD 3.59Å; M197-M307 VanDerWaalsContact CE-SD 3.59Å; M197-M307 HydrophobicContact CG-CG 4.48Å; M197-M307 HydrophobicContact CG-SD 3.93Å; M197-M307 HydrophobicContact SD-CG 3.98Å; M197-M307 HydrophobicContact SD-SD 3.75Å
198G73.2Confident85.6Confident49 Ų4936.1 Ų36.151%0.50519%0.189SC..SBendtrans67.421.6-175.900000113.6C193 E194C193-G198 PolarHBondContact O-N 3.1Å; E194-G198 WeakPolarHBondContact O-CA 3.16Å; E194-G198 PolarHBondContact O-N 3.22Å
199R75.9Confident85Confident65 Ų6537 Ų3725%0.24520%0.196CC..  trans-135.2144.7-174.6-69.7-171.4176.7-88-4.8113.4C193 E194 M197 E264C193-R199 CarbonylContact C-O 3.6Å; C193-R199 VanDerWaalsContact C-O 3.23Å; C193-R199 WeakPolarHBondContact CB-O 3.34Å; C193-R199 PolarHBondContact O-N 3.21Å; E194-R199 WeakPolarHBondContact CA-O 3.27Å; E194-R199 PolarHBondContact N-O 3.31Å; M197-R199 PolarHBondContact O-N 2.86Å; R199-E264 IonicContact CZ-OE1 2.79Å; R199-E264 IonicContact NE-OE1 2.95Å; R199-E264 IonicContact NH2-OE1 2.65Å; R199-E264 PolarHBondContact NH2-OE1 2.99Å
200H80.9Confident84.4Confident110 Ų11039 Ų3951%0.50921%0.213SC..  trans-87.5111.7172.6-51.3-78000110.8E194 N202E194-H200 IonicContact OE1-CE1 3.92Å; E194-H200 PolarHBondContact OE1-CE1 3.15Å; E194-H200 VanDerWaalsContact OE1-CE1 3.27Å; E194-H200 IonicContact OE1-ND1 3.67Å; E194-H200 IonicContact OE2-CE1 3.87Å; E194-H200 PolarHBondContact OE2-CE1 3Å; E194-H200 IonicContact OE2-ND1 3.83Å; E194-H200 PolarHBondContact OE2-ND1 3.08Å; H200-N202 VanDerWaalsContact C-N 3.3Å; H200-N202 PolarHBondContact O-ND2 2.99Å
201V79.8Confident83.6Confident38 Ų3840.7 Ų40.723%0.2322%0.219CC..  trans-77.8-23.5167.7169.30000111C193 M197 A203 Y211 V212C193-V201 HydrophobicContact CB-CB 4.25Å; C193-V201 HydrophobicContact CB-CG2 3.85Å; C193-V201 WeakPolarHBondContact SG-CG2 3.42Å; M197-V201 HydrophobicContact CE-CG2 4.23Å; V201-A203 HydrophobicContact CG1-CB 4.16Å; V201-A203 PolarHBondContact O-N 3.24Å; V201-Y211 HydrophobicContact CG1-CD1 3.69Å; V201-Y211 HydrophobicContact CG1-CE1 4.22Å; V201-Y211 HydrophobicContact CG2-CD1 4.3Å; V201-Y211 HydrophobicContact CG2-CE1 4.25Å; V201-V212 HydrophobicContact CG1-CG2 4.33Å
202N87.1Confident82.9Confident67 Ų6740.8 Ų40.836%0.35822%0.22SC..  trans55.536.9-175.5-60.3-80.9000111.5D190 H200 Q204 K205 N206D190-N202 VanDerWaalsContact OD1-CA 3.27Å; D190-N202 WeakPolarHBondContact OD1-CA 3.35Å; D190-N202 PolarHBondContact OD1-N 2.65Å; H200-N202 VanDerWaalsContact C-N 3.3Å; H200-N202 PolarHBondContact O-ND2 2.99Å; N202-Q204 PolarHBondContact O-N 3.38Å; N202-K205 HydrophobicContact CB-CB 4.36Å; N202-K205 PolarHBondContact O-N 2.93Å; N202-N206 PolarHBondContact O-N 2.98Å
203A88.7Confident82.7Confident0 Ų045.5 Ų45.50%024%0.237CC..THydrogen-bonded Turntrans-54.5-37.4178.500000111.5L186 L189 D190 V201 N206 S207 V212L186-A203 HydrophobicContact CD2-CB 4.08Å; L189-A203 HydrophobicContact CB-CB 4.34Å; L189-A203 HydrophobicContact CD2-CB 3.86Å; L189-A203 HydrophobicContact CG-CB 4.15Å; D190-A203 VanDerWaalsContact CG-N 3.26Å; D190-A203 PolarHBondContact OD1-N 3.42Å; D190-A203 PolarHBondContact OD2-N 2.83Å; V201-A203 HydrophobicContact CG1-CB 4.16Å; V201-A203 PolarHBondContact O-N 3.24Å; A203-N206 CarbonylContact O-C 3.59Å; A203-S207 WeakPolarHBondContact O-CA 3.26Å; A203-S207 PolarHBondContact O-N 3.15Å; A203-V212 HydrophobicContact CB-CG2 3.6Å
204Q93.7Very high82.6Confident2 Ų245.5 Ų45.51%0.00924%0.237CC..THydrogen-bonded Turntrans-59.8-51.7173-68.1-166.179.600110.7Q159 V162 L163 K166 L186 C187 D190 N202Q159-Q204 PolarHBondContact O-NE2 3.49Å; Q159-Q204 VanDerWaalsContact OE1-NE2 3.14Å; V162-Q204 HydrophobicContact CG1-CB 3.89Å; L163-Q204 VanDerWaalsContact N-OE1 3.14Å; K166-Q204 HydrophobicContact CD-CB 4.35Å; K166-Q204 VanDerWaalsContact CE-C 3.41Å; K166-Q204 WeakPolarHBondContact CE-O 3.34Å; K166-Q204 PolarHBondContact NZ-O 2.76Å; L186-Q204 HydrophobicContact CB-CG 3.99Å; C187-Q204 HydrophobicContact CB-CG 4.34Å; D190-Q204 WeakPolarHBondContact OD2-CB 3.22Å; D190-Q204 VanDerWaalsContact OD2-CG 3.3Å; D190-Q204 WeakPolarHBondContact OD2-CG 3.27Å; D190-Q204 PolarHBondContact OD2-N 2.83Å; N202-Q204 PolarHBondContact O-N 3.38Å
205K91.2Very high82.2Confident150 Ų15045.3 Ų45.365%0.65224%0.237SC*.THydrogen-bonded Turntrans-73.4-30.5-176.3-64.3178.5-179172.50113.2N202N202-K205 HydrophobicContact CB-CB 4.36Å; N202-K205 PolarHBondContact O-N 2.93Å
206N88.3Confident82Confident86 Ų8649 Ų4946%0.4625%0.251SS..  trans-130.875.3-179.4-172.24.7000111.1N202 A203 E208 S209N202-N206 PolarHBondContact O-N 2.98Å; A203-N206 CarbonylContact O-C 3.59Å; N206-E208 PolarHBondContact O-N 2.91Å; N206-S209 WeakPolarHBondContact O-CB 3.41Å; N206-S209 PolarHBondContact O-N 3.46Å; N206-S209 VanDerWaalsContact O-N 3.14Å; N206-S209 PolarHBondContact O-OG 3.2Å; N206-S209 PolarHBondContact OD1-N 3.36Å
207S86.6Confident82.3Confident36 Ų3650.2 Ų50.225%0.25226%0.258SS..THydrogen-bonded Turntrans-63.9-19.7178.561.10000113.2A203 V212A203-S207 WeakPolarHBondContact O-CA 3.26Å; A203-S207 PolarHBondContact O-N 3.15Å; S207-V212 WeakPolarHBondContact O-CG1 3.41Å
208E84.6Confident82.7Confident112 Ų11249.6 Ų49.652%0.52326%0.255SS..THydrogen-bonded Turntrans-97.217.5178.9-62.3-54131.800112.6N206 R213N206-E208 PolarHBondContact O-N 2.91Å; E208-R213 PolarHBondContact O-NH1 3.01Å; E208-R213 PolarHBondContact O-NH2 2.98Å; E208-R213 IonicContact OE2-NH1 3.27Å
209S81.1Confident83Confident19 Ų1947.4 Ų47.413%0.13323%0.232CC..  trans-64.8149.6172.974.90000110.6N206 Y211 V212 R213N206-S209 WeakPolarHBondContact O-CB 3.41Å; N206-S209 PolarHBondContact O-N 3.46Å; N206-S209 VanDerWaalsContact O-N 3.14Å; N206-S209 PolarHBondContact O-OG 3.2Å; N206-S209 PolarHBondContact OD1-N 3.36Å; S209-Y211 PolarHBondContact O-N 3.05Å; S209-V212 PolarHBondContact O-N 3.05Å; S209-V212 WeakPolarHBondContact OG-CB 3.39Å; S209-V212 WeakPolarHBondContact OG-CG2 3.48Å; S209-V212 PolarHBondContact OG-N 3.14Å; S209-R213 PolarHBondContact O-N 3.23Å
210A78Confident83.2Confident44 Ų4445.7 Ų45.736%0.36423%0.234SC..Hα-helixtrans-56.7-36.8177.900000112.1A214A210-A214 VanDerWaalsContact O-CB 3.31Å; A210-A214 WeakPolarHBondContact O-CB 3.45Å; A210-A214 PolarHBondContact O-N 3.02Å
211Y76.5Confident83.1Confident36 Ų3640.4 Ų40.414%0.14121%0.209CC..Hα-helixtrans-65.9-49.6177.2-179.7-96.2000112L189 V201 S209 R213 A214 V215 R253 M307L189-Y211 HydrophobicContact CD1-CE1 4.46Å; V201-Y211 HydrophobicContact CG1-CD1 3.69Å; V201-Y211 HydrophobicContact CG1-CE1 4.22Å; V201-Y211 HydrophobicContact CG2-CD1 4.3Å; V201-Y211 HydrophobicContact CG2-CE1 4.25Å; S209-Y211 PolarHBondContact O-N 3.05Å; Y211-R213 VanDerWaalsContact C-N 3.35Å; Y211-R213 PolarHBondContact O-N 3.24Å; Y211-A214 PolarHBondContact O-N 3.26Å; Y211-V215 HydrophobicContact CD1-CG2 4.25Å; Y211-V215 HydrophobicContact CE1-CG2 3.8Å; Y211-V215 HydrophobicContact CE2-CG2 4.28Å; Y211-V215 WeakPolarHBondContact O-CG2 3.26Å; Y211-V215 PolarHBondContact O-N 3.38Å; Y211-R253 HydrophobicContact CE2-CG 4.4Å; Y211-M307 HydrophobicContact CE1-CE 4.43Å; Y211-M307 VanDerWaalsContact OH-CE 3.22Å; Y211-M307 WeakPolarHBondContact OH-CE 3.49Å
212V79.9Confident83Confident1 Ų138.6 Ų38.61%0.00620%0.198CC..Hα-helixtrans-59.9-47.2179.7173.80000110.2L186 L189 V201 A203 S207 S209 A214 V215 Y216L186-V212 HydrophobicContact CD2-CG1 3.76Å; L189-V212 HydrophobicContact CD2-CG2 4.03Å; V201-V212 HydrophobicContact CG1-CG2 4.33Å; A203-V212 HydrophobicContact CB-CG2 3.6Å; S207-V212 WeakPolarHBondContact O-CG1 3.41Å; S209-V212 PolarHBondContact O-N 3.05Å; S209-V212 WeakPolarHBondContact OG-CB 3.39Å; S209-V212 WeakPolarHBondContact OG-CG2 3.48Å; S209-V212 PolarHBondContact OG-N 3.14Å; V212-A214 PolarHBondContact O-N 3.26Å; V212-V215 PolarHBondContact O-N 3.46Å; V212-Y216 HydrophobicContact CG1-CD2 3.59Å; V212-Y216 HydrophobicContact CG1-CE2 3.48Å; V212-Y216 VanDerWaalsContact CG1-CE2 3.48Å; V212-Y216 VanDerWaalsContact O-CD2 3.23Å; V212-Y216 WeakPolarHBondContact O-CD2 3.4Å; V212-Y216 PolarHBondContact O-N 2.83Å
213R84Confident82.4Confident106 Ų10635.7 Ų35.740%0.418%0.183SC..Hα-helixtrans-58.1-45.1174.8-75-163.7-62.9-96.7-12.5112.6E208 S209 Y211 V215 Y216 T217E208-R213 PolarHBondContact O-NH1 3.01Å; E208-R213 PolarHBondContact O-NH2 2.98Å; E208-R213 IonicContact OE2-NH1 3.27Å; S209-R213 PolarHBondContact O-N 3.23Å; Y211-R213 VanDerWaalsContact C-N 3.35Å; Y211-R213 PolarHBondContact O-N 3.24Å; R213-V215 VanDerWaalsContact C-N 3.35Å; R213-V215 PolarHBondContact O-N 2.94Å; R213-Y216 PolarHBondContact O-N 3.17Å; R213-T217 WeakPolarHBondContact O-CB 3.44Å; R213-T217 PolarHBondContact O-N 3.13Å; R213-T217 PolarHBondContact O-OG1 2.76Å; R213-T217 VanDerWaalsContact O-OG1 3.1Å
214A81.6Confident81.7Confident0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-59.8-45.6179.100000111.6A210 Y211 V212 T217 L218 E249 Q252 R253A210-A214 VanDerWaalsContact O-CB 3.31Å; A210-A214 WeakPolarHBondContact O-CB 3.45Å; A210-A214 PolarHBondContact O-N 3.02Å; Y211-A214 PolarHBondContact O-N 3.26Å; V212-A214 PolarHBondContact O-N 3.26Å; A214-T217 PolarHBondContact O-N 3.38Å; A214-L218 WeakPolarHBondContact O-CB 3.36Å; A214-L218 WeakPolarHBondContact O-CG 3.4Å; A214-L218 PolarHBondContact O-N 3.35Å; A214-E249 WeakPolarHBondContact CA-OE2 3.49Å; A214-E249 HydrophobicContact CB-CB 4.1Å; A214-Q252 HydrophobicContact CB-CB 4.36Å; A214-R253 HydrophobicContact CB-CB 4.22Å
215V78.9Confident80.8Confident8 Ų840.7 Ų40.75%0.04820%0.201CC..Hα-helixtrans-60.1-49.6177.1173.50000111.1Y211 V212 R213 T217 L218 N219Y211-V215 HydrophobicContact CD1-CG2 4.25Å; Y211-V215 HydrophobicContact CE1-CG2 3.8Å; Y211-V215 HydrophobicContact CE2-CG2 4.28Å; Y211-V215 WeakPolarHBondContact O-CG2 3.26Å; Y211-V215 PolarHBondContact O-N 3.38Å; V212-V215 PolarHBondContact O-N 3.46Å; R213-V215 VanDerWaalsContact C-N 3.35Å; R213-V215 PolarHBondContact O-N 2.94Å; V215-T217 PolarHBondContact O-N 2.67Å; V215-L218 PolarHBondContact O-N 3.33Å; V215-N219 WeakPolarHBondContact O-CB 3.46Å; V215-N219 PolarHBondContact O-N 3.32Å; V215-N219 PolarHBondContact O-OD1 3.46Å
216Y81.6Confident79.8Confident80 Ų8034.4 Ų34.431%0.31417%0.174SC..Hα-helixtrans-62.9-44179.4-83.1-71.6000113T185 L186 V212 R213 N219 G220T185-Y216 WeakPolarHBondContact CB-OH 3.48Å; T185-Y216 HydrophobicContact CG2-CE1 4.02Å; T185-Y216 WeakPolarHBondContact CG2-OH 3.34Å; L186-Y216 HydrophobicContact CD2-CE2 4Å; V212-Y216 HydrophobicContact CG1-CD2 3.59Å; V212-Y216 HydrophobicContact CG1-CE2 3.48Å; V212-Y216 VanDerWaalsContact CG1-CE2 3.48Å; V212-Y216 VanDerWaalsContact O-CD2 3.23Å; V212-Y216 WeakPolarHBondContact O-CD2 3.4Å; V212-Y216 PolarHBondContact O-N 2.83Å; R213-Y216 PolarHBondContact O-N 3.17Å; Y216-N219 PolarHBondContact O-N 3.22Å; Y216-G220 PolarHBondContact O-N 3.01Å
217T83.7Confident78.6Confident32 Ų3233.5 Ų33.520%0.19617%0.166CC..Hα-helixtrans-65.5-44.2-179.9-64.20000111.1R213 A214 V215 G220 I221 E245 E249R213-T217 WeakPolarHBondContact O-CB 3.44Å; R213-T217 PolarHBondContact O-N 3.13Å; R213-T217 PolarHBondContact O-OG1 2.76Å; R213-T217 VanDerWaalsContact O-OG1 3.1Å; A214-T217 PolarHBondContact O-N 3.38Å; V215-T217 PolarHBondContact O-N 2.67Å; T217-G220 PolarHBondContact O-N 2.99Å; T217-I221 HydrophobicContact CG2-CD1 3.83Å; T217-I221 HydrophobicContact CG2-CG1 4.44Å; T217-I221 VanDerWaalsContact O-CG1 3.27Å; T217-I221 WeakPolarHBondContact O-CG1 3.24Å; T217-I221 PolarHBondContact O-N 3.02Å; T217-E245 HydrophobicContact CG2-CG 3.79Å; T217-E245 WeakPolarHBondContact CG2-OE1 3.45Å; T217-E249 HydrophobicContact CG2-CG 3.8Å
218L81Confident77.7Confident1 Ų134.7 Ų34.71%0.00517%0.17CC..Hα-helixtrans-62.9-44.5177.2-68.8171.8000111.5W119 A214 V215 G220 I221 I222 E246 E249 E250 R253W119-L218 HydrophobicContact CE3-CB 4.01Å; W119-L218 HydrophobicContact CE3-CD1 4.49Å; W119-L218 HydrophobicContact CZ3-CB 3.88Å; A214-L218 WeakPolarHBondContact O-CB 3.36Å; A214-L218 WeakPolarHBondContact O-CG 3.4Å; A214-L218 PolarHBondContact O-N 3.35Å; V215-L218 PolarHBondContact O-N 3.33Å; L218-G220 VanDerWaalsContact C-N 3.33Å; L218-G220 PolarHBondContact O-N 3.21Å; L218-I221 PolarHBondContact O-N 3.22Å; L218-I222 WeakPolarHBondContact O-CG1 3.41Å; L218-I222 PolarHBondContact O-N 3.24Å; L218-E246 HydrophobicContact CD2-CG 3.96Å; L218-E249 HydrophobicContact CD2-CB 4.28Å; L218-E249 HydrophobicContact CG-CB 4.2Å; L218-E250 HydrophobicContact CD1-CG 4.5Å; L218-E250 HydrophobicContact CD2-CG 3.89Å; L218-R253 HydrophobicContact CD1-CB 4.47Å
219N79.1Confident76.8Confident3 Ų332.4 Ų32.42%0.01617%0.165CC..Hα-helixtrans-57.8-47.1173.7-68.9-3.4000110.8W119 V215 Y216 I221 I222 H223 F308 H311W119-N219 WeakPolarHBondContact CZ3-OD1 3.36Å; V215-N219 WeakPolarHBondContact O-CB 3.46Å; V215-N219 PolarHBondContact O-N 3.32Å; V215-N219 PolarHBondContact O-OD1 3.46Å; Y216-N219 PolarHBondContact O-N 3.22Å; N219-I221 VanDerWaalsContact C-N 3.34Å; N219-I221 PolarHBondContact O-N 3.39Å; N219-I222 WeakPolarHBondContact O-CB 3.41Å; N219-I222 PolarHBondContact O-N 3Å; N219-H223 PolarHBondContact O-CD2 2.9Å; N219-H223 PolarHBondContact O-N 2.98Å; N219-H223 VanDerWaalsContact O-N 3.14Å; N219-F308 HydrophobicContact CB-CE2 4.44Å; N219-F308 WeakPolarHBondContact OD1-CD2 3.34Å; N219-F308 WeakPolarHBondContact OD1-CE2 3.34Å; N219-H311 PolarHBondContact ND2-NE2 2.92Å
220G80.3Confident76.2Confident28 Ų2837.6 Ų37.629%0.28919%0.19SC..Hα-helixtrans-59.7-40.8176.800000113.4Y216 T217 L218 H223 R224Y216-G220 PolarHBondContact O-N 3.01Å; T217-G220 PolarHBondContact O-N 2.99Å; L218-G220 VanDerWaalsContact C-N 3.33Å; L218-G220 PolarHBondContact O-N 3.21Å; G220-H223 PolarHBondContact O-N 3.39Å; G220-R224 WeakPolarHBondContact O-CG 3.38Å; G220-R224 PolarHBondContact O-N 3.31Å
221I80.3Confident75.8Confident0 Ų036.5 Ų36.50%018%0.178CC..Hα-helixtrans-64.8-44177.1-70.7168.8000111T217 L218 N219 H223 R224 R225 D242 E246T217-I221 HydrophobicContact CG2-CD1 3.83Å; T217-I221 HydrophobicContact CG2-CG1 4.44Å; T217-I221 VanDerWaalsContact O-CG1 3.27Å; T217-I221 WeakPolarHBondContact O-CG1 3.24Å; T217-I221 PolarHBondContact O-N 3.02Å; L218-I221 PolarHBondContact O-N 3.22Å; N219-I221 VanDerWaalsContact C-N 3.34Å; N219-I221 PolarHBondContact O-N 3.39Å; I221-H223 VanDerWaalsContact C-N 3.35Å; I221-H223 PolarHBondContact O-N 3Å; I221-R224 VanDerWaalsContact CG1-NH2 3.32Å; I221-R224 PolarHBondContact O-N 2.64Å; I221-R225 HydrophobicContact CG2-CG 4.26Å; I221-R225 WeakPolarHBondContact O-CG 3.16Å; I221-R225 PolarHBondContact O-N 2.99Å; I221-D242 HydrophobicContact CD1-CB 3.98Å; I221-D242 HydrophobicContact CG1-CB 4Å; I221-E246 HydrophobicContact CD1-CB 3.81Å; I221-E246 HydrophobicContact CD1-CG 4.35Å; I221-E246 HydrophobicContact CG2-CG 4.31Å
222I76.9Confident75.4Confident0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-53.9-51.8175-74.8162.6000111C116 S117 W119 L120 L218 N219 R224 R225 Q226 F308 M486C116-I222 HydrophobicContact CB-CG2 4.27Å; S117-I222 VanDerWaalsContact OG-CG1 3.31Å; S117-I222 WeakPolarHBondContact OG-CG1 3.27Å; W119-I222 HydrophobicContact CE3-CD1 3.45Å; W119-I222 VanDerWaalsContact CE3-CD1 3.45Å; W119-I222 HydrophobicContact CZ3-CD1 3.34Å; L120-I222 HydrophobicContact CD1-CB 4.17Å; L120-I222 HydrophobicContact CD1-CD1 3.51Å; L120-I222 HydrophobicContact CD1-CG1 3.75Å; L120-I222 HydrophobicContact CD1-CG2 3.36Å; L120-I222 HydrophobicContact CD2-CD1 4.35Å; L120-I222 HydrophobicContact CG-CD1 3.59Å; L120-I222 HydrophobicContact CG-CG1 4.18Å; L218-I222 WeakPolarHBondContact O-CG1 3.41Å; L218-I222 PolarHBondContact O-N 3.24Å; N219-I222 WeakPolarHBondContact O-CB 3.41Å; N219-I222 PolarHBondContact O-N 3Å; I222-R224 VanDerWaalsContact C-N 3.32Å; I222-R224 PolarHBondContact O-N 3.3Å; I222-R225 PolarHBondContact O-N 3.35Å; I222-Q226 WeakPolarHBondContact O-CB 3.33Å; I222-Q226 PolarHBondContact O-N 3.29Å; I222-F308 HydrophobicContact CD1-CE2 4.41Å; I222-M486 HydrophobicContact CG2-CE 3.61Å; I222-M486 HydrophobicContact CG2-SD 4.13Å
223H74.1Confident75Confident6 Ų640.6 Ų40.63%0.02820%0.202CC..Hα-helixtrans-65.5-35.4-178.4-64.6-64.1000112.3N219 G220 I221 K227 D312 E485 R489N219-H223 PolarHBondContact O-CD2 2.9Å; N219-H223 PolarHBondContact O-N 2.98Å; N219-H223 VanDerWaalsContact O-N 3.14Å; G220-H223 PolarHBondContact O-N 3.39Å; I221-H223 VanDerWaalsContact C-N 3.35Å; I221-H223 PolarHBondContact O-N 3Å; H223-K227 WeakPolarHBondContact O-CG 3.26Å; H223-K227 PolarHBondContact O-N 3.49Å; H223-D312 IonicContact NE2-OD2 3.75Å; H223-E485 HydrophobicContact CB-CG 4.27Å; H223-E485 IonicContact CG-OE2 2.94Å; H223-E485 IonicContact ND1-OE2 3.24Å; H223-R489 PolarHBondContact CD2-NH1 3.47Å; H223-R489 PolarHBondContact NE2-NH1 3.34Å; H223-R489 PolarHBondContact NE2-NH2 3.23Å; H223-R489 VanDerWaalsContact NE2-NH2 3.15Å
224R74.8Confident74.5Confident103 Ų10338.9 Ų38.939%0.38920%0.201SC..Hα-helixtrans-65.5-46.9174.7-75.2-172.7-73174.2-1.8111.9G220 I221 I222 Q226 K227 N228 D242 E245G220-R224 WeakPolarHBondContact O-CG 3.38Å; G220-R224 PolarHBondContact O-N 3.31Å; I221-R224 VanDerWaalsContact CG1-NH2 3.32Å; I221-R224 PolarHBondContact O-N 2.64Å; I222-R224 VanDerWaalsContact C-N 3.32Å; I222-R224 PolarHBondContact O-N 3.3Å; R224-Q226 VanDerWaalsContact C-N 3.33Å; R224-Q226 PolarHBondContact O-N 3.11Å; R224-K227 PolarHBondContact O-N 3.3Å; R224-N228 PolarHBondContact O-N 2.95Å; R224-D242 IonicContact CZ-OD1 3.54Å; R224-D242 IonicContact CZ-OD2 2.74Å; R224-D242 IonicContact NE-OD2 2.65Å; R224-D242 IonicContact NH1-OD1 3.5Å; R224-D242 PolarHBondContact NH1-OD1 3.13Å; R224-D242 IonicContact NH1-OD2 2.78Å; R224-D242 PolarHBondContact NH1-OD2 2.96Å; R224-D242 IonicContact NH2-OD1 2.71Å; R224-D242 PolarHBondContact NH2-OD1 2.91Å; R224-D242 IonicContact NH2-OD2 3.91Å; R224-D242 PolarHBondContact NH2-OD2 3.02Å; R224-E245 IonicContact NH2-OE2 3.52Å
225R75Confident74.3Confident3 Ų344.8 Ų44.81%0.01123%0.227CC..Hα-helixtrans-61.6-40.8177.5-73.2177.461.8149.55.7112S115 I221 I222 K227 N228 L231 D234 H237 E246S115-R225 PolarHBondContact O-NE 3.31Å; S115-R225 PolarHBondContact O-NH2 3.27Å; I221-R225 HydrophobicContact CG2-CG 4.26Å; I221-R225 WeakPolarHBondContact O-CG 3.16Å; I221-R225 PolarHBondContact O-N 2.99Å; I222-R225 PolarHBondContact O-N 3.35Å; R225-K227 VanDerWaalsContact C-N 3.33Å; R225-K227 PolarHBondContact O-N 2.88Å; R225-N228 PolarHBondContact O-N 3.41Å; R225-L231 HydrophobicContact CG-CB 4.35Å; R225-D234 IonicContact CZ-OD1 3.58Å; R225-D234 IonicContact NH1-OD1 2.77Å; R225-D234 PolarHBondContact NH1-OD1 3.48Å; R225-D234 IonicContact NH2-OD1 3.5Å; R225-D234 PolarHBondContact NH2-OD1 3.29Å; R225-H237 PolarHBondContact NH1-CD2 3.03Å; R225-H237 VanDerWaalsContact NH1-CD2 3.28Å; R225-E246 IonicContact NH1-OE1 3.4Å; R225-E246 PolarHBondContact NH1-OE1 3.06Å; R225-E246 IonicContact NH1-OE2 3.07Å
226Q69.6Low74.3Confident19 Ų1946.4 Ų46.49%0.08924%0.237CC..Hα-helixtrans-59.1-42.6178.5-171.3-171.326.700112.5I222 R224I222-Q226 WeakPolarHBondContact O-CB 3.33Å; I222-Q226 PolarHBondContact O-N 3.29Å; R224-Q226 VanDerWaalsContact C-N 3.33Å; R224-Q226 PolarHBondContact O-N 3.11Å
227K63.8Low74.1Confident67 Ų6742.7 Ų42.729%0.29122%0.222SC..Hα-helixtrans-75.6-25.3-177.7-71.1-176.2-170.5179.10114H223 R224 R225 P229 E485H223-K227 WeakPolarHBondContact O-CG 3.26Å; H223-K227 PolarHBondContact O-N 3.49Å; R224-K227 PolarHBondContact O-N 3.3Å; R225-K227 VanDerWaalsContact C-N 3.33Å; R225-K227 PolarHBondContact O-N 2.88Å; K227-P229 WeakPolarHBondContact O-CD 3.32Å; K227-E485 WeakPolarHBondContact CE-OE1 3.44Å; K227-E485 IonicContact NZ-OE1 3.47Å; K227-E485 PolarHBondContact NZ-OE1 2.85Å
228N67.1Low73.9Confident61 Ų6147 Ų4733%0.32624%0.235SC..  trans-109.6103.6-172.7-170.1-20.6000111.3R224 R225 L230 L231 R232R224-N228 PolarHBondContact O-N 2.95Å; R225-N228 PolarHBondContact O-N 3.41Å; N228-L230 PolarHBondContact O-N 2.92Å; N228-L230 VanDerWaalsContact OD1-CB 3.31Å; N228-L230 WeakPolarHBondContact OD1-CB 3.5Å; N228-L230 PolarHBondContact OD1-N 3.36Å; N228-L231 HydrophobicContact CB-CB 4.12Å; N228-L231 HydrophobicContact CB-CD1 3.91Å; N228-L231 HydrophobicContact CB-CG 3.89Å; N228-L231 PolarHBondContact O-N 2.9Å; N228-R232 PolarHBondContact O-N 2.88Å
229P65.7Low73.8Confident64 Ų6451.8 Ų51.842%0.41626%0.26SS..G310 helixtrans-51.2-30.1176.8-28.635.9000114.7I48 K227 R232I48-P229 HydrophobicContact CD1-CG 4.19Å; K227-P229 WeakPolarHBondContact O-CD 3.32Å; P229-R232 WeakPolarHBondContact O-CB 3.47Å; P229-R232 WeakPolarHBondContact O-CG 3.4Å; P229-R232 PolarHBondContact O-N 3.37Å
230L68.8Low73.6Confident127 Ų12759.4 Ų59.467%0.66529%0.293SS*.G310 helixtrans-72.7-33.1179.3-56.9175.8000112.1N228 R232 V236N228-L230 PolarHBondContact O-N 2.92Å; N228-L230 VanDerWaalsContact OD1-CB 3.31Å; N228-L230 WeakPolarHBondContact OD1-CB 3.5Å; N228-L230 PolarHBondContact OD1-N 3.36Å; L230-R232 VanDerWaalsContact C-N 3.27Å; L230-R232 PolarHBondContact O-N 2.68Å; L230-V236 WeakPolarHBondContact O-CB 3.43Å; L230-V236 VanDerWaalsContact O-CG1 3.28Å; L230-V236 WeakPolarHBondContact O-CG1 3.45Å
231L70.3Confident73.4Confident22 Ų2259.9 Ų59.912%0.11529%0.292CS..G310 helixtrans-83.5-1179-59.3-177.4000113.3R225 N228 S233 V236 S241R225-L231 HydrophobicContact CG-CB 4.35Å; N228-L231 HydrophobicContact CB-CB 4.12Å; N228-L231 HydrophobicContact CB-CD1 3.91Å; N228-L231 HydrophobicContact CB-CG 3.89Å; N228-L231 PolarHBondContact O-N 2.9Å; L231-S233 PolarHBondContact O-N 3.06Å; L231-V236 HydrophobicContact CD2-CG1 4.43Å; L231-S241 WeakPolarHBondContact CD1-OG 3.43Å; L231-S241 VanDerWaalsContact CD2-CB 3.48Å
232R68.2Low73.3Confident66 Ų6661.6 Ų61.625%0.24930%0.301CS..G310 helixtrans-68.3-26.4175.1-57.6-170.1171.1168-0.6112.5S115 N228 P229 L230S115-R232 VanDerWaalsContact CB-CG 3.49Å; N228-R232 PolarHBondContact O-N 2.88Å; P229-R232 WeakPolarHBondContact O-CB 3.47Å; P229-R232 WeakPolarHBondContact O-CG 3.4Å; P229-R232 PolarHBondContact O-N 3.37Å; L230-R232 VanDerWaalsContact C-N 3.27Å; L230-R232 PolarHBondContact O-N 2.68Å
233S71.5Confident73.3Confident57 Ų5761.7 Ų61.740%0.39930%0.302SS..SBendtrans-78.4120.1173.9178.20000109.5L231 F235 V236 H237L231-S233 PolarHBondContact O-N 3.06Å; S233-F235 PolarHBondContact O-N 2.66Å; S233-F235 VanDerWaalsContact O-N 3.15Å; S233-F235 PolarHBondContact OG-N 3.42Å; S233-V236 PolarHBondContact O-N 3.18Å; S233-H237 PolarHBondContact O-N 3.48Å
234D73Confident73.6Confident69 Ų6969.8 Ų69.837%0.36934%0.337SS..Hα-helixtrans-54.3-34.3173.4-73.7-26000112.2R225 R238R225-D234 IonicContact CZ-OD1 3.58Å; R225-D234 IonicContact NH1-OD1 2.77Å; R225-D234 PolarHBondContact NH1-OD1 3.48Å; R225-D234 IonicContact NH2-OD1 3.5Å; R225-D234 PolarHBondContact NH2-OD1 3.29Å; D234-R238 WeakPolarHBondContact O-CB 3.26Å; D234-R238 WeakPolarHBondContact O-CG 3.34Å; D234-R238 PolarHBondContact O-N 2.84Å; D234-R238 PolarHBondContact O-NE 3.04Å; D234-R238 VanDerWaalsContact O-NE 3.15Å
235F77.3Confident74Confident124 Ų12468.4 Ų68.454%0.54434%0.335SS..Hα-helixtrans-62.5-48.1176178.2-100000111.6S233 L239S233-F235 PolarHBondContact O-N 2.66Å; S233-F235 VanDerWaalsContact O-N 3.15Å; S233-F235 PolarHBondContact OG-N 3.42Å; F235-L239 HydrophobicContact CD1-CD1 4.03Å; F235-L239 HydrophobicContact CD2-CD1 3.99Å; F235-L239 HydrophobicContact CE1-CD1 3.51Å; F235-L239 HydrophobicContact CE2-CD1 3.46Å; F235-L239 VanDerWaalsContact CE2-CD1 3.46Å; F235-L239 HydrophobicContact CE2-CG 4.5Å; F235-L239 HydrophobicContact CG-CD1 4.26Å; F235-L239 HydrophobicContact CZ-CD1 3.2Å; F235-L239 WeakPolarHBondContact O-CB 3.31Å; F235-L239 WeakPolarHBondContact O-CG 3.42Å; F235-L239 PolarHBondContact O-N 3.48Å
236V77.6Confident74.3Confident43 Ų4368.8 Ų68.826%0.26134%0.337SS..Hα-helixtrans-67.7-45.2180179.10000110.8L230 L231 S233 R238 L239 F240L230-V236 WeakPolarHBondContact O-CB 3.43Å; L230-V236 VanDerWaalsContact O-CG1 3.28Å; L230-V236 WeakPolarHBondContact O-CG1 3.45Å; L231-V236 HydrophobicContact CD2-CG1 4.43Å; S233-V236 PolarHBondContact O-N 3.18Å; V236-R238 PolarHBondContact O-N 3.38Å; V236-L239 PolarHBondContact O-N 2.97Å; V236-F240 HydrophobicContact CG1-CD2 4.08Å; V236-F240 PolarHBondContact O-N 3.31Å
237H78.5Confident74.7Confident1 Ų175.1 Ų75.11%0.00536%0.36CS..Hα-helixtrans-61.3-43.1179.6177.563.4000112.6R225 S233 L239 S241 G243 E246R225-H237 PolarHBondContact NH1-CD2 3.03Å; R225-H237 VanDerWaalsContact NH1-CD2 3.28Å; S233-H237 PolarHBondContact O-N 3.48Å; H237-L239 VanDerWaalsContact C-N 3.3Å; H237-L239 PolarHBondContact O-N 2.97Å; H237-S241 CarbonylContact O-C 3.56Å; H237-S241 PolarHBondContact O-N 3.35Å; H237-G243 PolarHBondContact O-N 2.88Å; H237-E246 IonicContact CD2-OE2 3.83Å; H237-E246 PolarHBondContact CD2-OE2 3.36Å; H237-E246 IonicContact CE1-OE2 2.8Å; H237-E246 IonicContact NE2-OE1 3.81Å; H237-E246 IonicContact NE2-OE2 2.65Å; H237-E246 PolarHBondContact NE2-OE2 3.29Å
238R78.8Confident75.6Confident124 Ų12479.4 Ų79.447%0.46838%0.375SS..Hα-helixtrans-65.4-31.3177.2-72.6-178.4-54.4-144.16.1113.6D234 V236D234-R238 WeakPolarHBondContact O-CB 3.26Å; D234-R238 WeakPolarHBondContact O-CG 3.34Å; D234-R238 PolarHBondContact O-N 2.84Å; D234-R238 PolarHBondContact O-NE 3.04Å; D234-R238 VanDerWaalsContact O-NE 3.15Å; V236-R238 PolarHBondContact O-N 3.38Å
239L78.9Confident76.3Confident100 Ų10076.8 Ų76.852%0.52436%0.36SS..Hα-helixtrans-92.1-40.7-175.7-72.4176.6000113.6F235 V236 H237F235-L239 HydrophobicContact CD1-CD1 4.03Å; F235-L239 HydrophobicContact CD2-CD1 3.99Å; F235-L239 HydrophobicContact CE1-CD1 3.51Å; F235-L239 HydrophobicContact CE2-CD1 3.46Å; F235-L239 VanDerWaalsContact CE2-CD1 3.46Å; F235-L239 HydrophobicContact CE2-CG 4.5Å; F235-L239 HydrophobicContact CG-CD1 4.26Å; F235-L239 HydrophobicContact CZ-CD1 3.2Å; F235-L239 WeakPolarHBondContact O-CB 3.31Å; F235-L239 WeakPolarHBondContact O-CG 3.42Å; F235-L239 PolarHBondContact O-N 3.48Å; V236-L239 PolarHBondContact O-N 2.97Å; H237-L239 VanDerWaalsContact C-N 3.3Å; H237-L239 PolarHBondContact O-N 2.97Å
240F75.5Confident76.8Confident163 Ų16375.8 Ų75.872%0.71535%0.35SS*.Hα-helixtrans-119.53.3-165.2-58.8-74000114.4V236V236-F240 HydrophobicContact CG1-CD2 4.08Å; V236-F240 PolarHBondContact O-N 3.31Å
241S76.8Confident77.1Confident39 Ų3974.2 Ų74.227%0.27335%0.346SS..SBendtrans-139.7-148.8-176.5-167.20000110.9L231 H237 G243L231-S241 WeakPolarHBondContact CD1-OG 3.43Å; L231-S241 VanDerWaalsContact CD2-CB 3.48Å; H237-S241 CarbonylContact O-C 3.56Å; H237-S241 PolarHBondContact O-N 3.35Å; S241-G243 PolarHBondContact O-N 3.26Å; S241-G243 VanDerWaalsContact O-N 3.15Å
242D77Confident77.3Confident35 Ų3575.6 Ų75.619%0.18735%0.352CS..THydrogen-bonded Turntrans-80.810.7-169.7-46.6-73.1000112.7I221 R224 K244 E245 E246I221-D242 HydrophobicContact CD1-CB 3.98Å; I221-D242 HydrophobicContact CG1-CB 4Å; R224-D242 IonicContact CZ-OD1 3.54Å; R224-D242 IonicContact CZ-OD2 2.74Å; R224-D242 IonicContact NE-OD2 2.65Å; R224-D242 IonicContact NH1-OD1 3.5Å; R224-D242 PolarHBondContact NH1-OD1 3.13Å; R224-D242 IonicContact NH1-OD2 2.78Å; R224-D242 PolarHBondContact NH1-OD2 2.96Å; R224-D242 IonicContact NH2-OD1 2.71Å; R224-D242 PolarHBondContact NH2-OD1 2.91Å; R224-D242 IonicContact NH2-OD2 3.91Å; R224-D242 PolarHBondContact NH2-OD2 3.02Å; D242-K244 PolarHBondContact O-N 2.74Å; D242-E245 HydrophobicContact CB-CB 4.37Å; D242-E245 CarbonylContact O-C 3.44Å; D242-E245 WeakPolarHBondContact O-CA 3.34Å; D242-E245 WeakPolarHBondContact O-CB 3.37Å; D242-E245 PolarHBondContact O-N 3.36Å; D242-E246 PolarHBondContact O-N 3.18Å
243G77Confident77.6Confident2 Ų273.1 Ų73.12%0.02134%0.342CS..Hα-helixtrans-62.1-19.8-173.700000115.1H237 S241 R247H237-G243 PolarHBondContact O-N 2.88Å; S241-G243 PolarHBondContact O-N 3.26Å; S241-G243 VanDerWaalsContact O-N 3.15Å; G243-R247 PolarHBondContact O-N 3.02Å
244K80.1Confident77.4Confident177 Ų17773.1 Ų73.177%0.7734%0.338SS*.Hα-helixtrans-74.8-40.7168.6-71.3-176.1-179176.40112.3D242 R248D242-K244 PolarHBondContact O-N 2.74Å; K244-R248 PolarHBondContact O-N 3.37Å; K244-R248 VanDerWaalsContact O-N 3.16Å
245E82.9Confident77.1Confident73 Ų7371.3 Ų71.334%0.34134%0.335SS..Hα-helixtrans-67.3-47.1176.2-176-179.5-153.500110.1T217 R224 D242 R247 R248 E249T217-E245 HydrophobicContact CG2-CG 3.79Å; T217-E245 WeakPolarHBondContact CG2-OE1 3.45Å; R224-E245 IonicContact NH2-OE2 3.52Å; D242-E245 HydrophobicContact CB-CB 4.37Å; D242-E245 CarbonylContact O-C 3.44Å; D242-E245 WeakPolarHBondContact O-CA 3.34Å; D242-E245 WeakPolarHBondContact O-CB 3.37Å; D242-E245 PolarHBondContact O-N 3.36Å; E245-R247 VanDerWaalsContact C-N 3.33Å; E245-R247 PolarHBondContact O-N 2.78Å; E245-R248 WeakPolarHBondContact O-CB 3.32Å; E245-R248 PolarHBondContact O-N 3.21Å; E245-E249 HydrophobicContact CG-CG 4.35Å; E245-E249 WeakPolarHBondContact O-CG 3.23Å; E245-E249 PolarHBondContact O-N 3.33Å
246E81.4Confident76.5Confident12 Ų1266.8 Ų66.86%0.05632%0.323CS..Hα-helixtrans-49.4-53.2174.1-169.2179-143.900111S117 L218 I221 R225 H237 D242 R248 E249 E250S117-E246 WeakPolarHBondContact CB-OE1 3.15Å; L218-E246 HydrophobicContact CD2-CG 3.96Å; I221-E246 HydrophobicContact CD1-CB 3.81Å; I221-E246 HydrophobicContact CD1-CG 4.35Å; I221-E246 HydrophobicContact CG2-CG 4.31Å; R225-E246 IonicContact NH1-OE1 3.4Å; R225-E246 PolarHBondContact NH1-OE1 3.06Å; R225-E246 IonicContact NH1-OE2 3.07Å; H237-E246 IonicContact CD2-OE2 3.83Å; H237-E246 PolarHBondContact CD2-OE2 3.36Å; H237-E246 IonicContact CE1-OE2 2.8Å; H237-E246 IonicContact NE2-OE1 3.81Å; H237-E246 IonicContact NE2-OE2 2.65Å; H237-E246 PolarHBondContact NE2-OE2 3.29Å; D242-E246 PolarHBondContact O-N 3.18Å; E246-R248 VanDerWaalsContact C-N 3.32Å; E246-R248 PolarHBondContact O-N 2.99Å; E246-E249 PolarHBondContact O-N 2.74Å; E246-E250 WeakPolarHBondContact O-CB 3.41Å; E246-E250 VanDerWaalsContact O-CG 3.29Å; E246-E250 WeakPolarHBondContact O-CG 3.42Å; E246-E250 PolarHBondContact O-N 3.31Å
247R78.9Confident75.8Confident151 Ų15165.6 Ų65.657%0.5731%0.314SS*.Hα-helixtrans-61.6-39.5179.3-169.9-176.9-56.4179.93.2112.7G243 E245 V251G243-R247 PolarHBondContact O-N 3.02Å; E245-R247 VanDerWaalsContact C-N 3.33Å; E245-R247 PolarHBondContact O-N 2.78Å; R247-V251 VanDerWaalsContact O-CG2 3.28Å; R247-V251 WeakPolarHBondContact O-CG2 3.44Å; R247-V251 PolarHBondContact O-N 2.65Å; R247-V251 VanDerWaalsContact O-N 3.08Å
248R81.7Confident74.8Confident158 Ų15869.1 Ų69.160%0.59634%0.336SS*.Hα-helixtrans-65.2-42.8178.3176.9-177.5175.1-112.19.9111K244 E245 E246 V251 Q252K244-R248 PolarHBondContact O-N 3.37Å; K244-R248 VanDerWaalsContact O-N 3.16Å; E245-R248 WeakPolarHBondContact O-CB 3.32Å; E245-R248 PolarHBondContact O-N 3.21Å; E246-R248 VanDerWaalsContact C-N 3.32Å; E246-R248 PolarHBondContact O-N 2.99Å; R248-V251 PolarHBondContact O-N 3.45Å; R248-Q252 PolarHBondContact O-N 2.79Å; R248-Q252 VanDerWaalsContact O-N 3.09Å
249E81.8Confident73.9Confident5 Ų571.2 Ų71.22%0.02335%0.348CS..Hα-helixtrans-75.3-34.7180-62.3-47.5135.500112A214 T217 L218 E245 E246 V251 Q252 R253A214-E249 WeakPolarHBondContact CA-OE2 3.49Å; A214-E249 HydrophobicContact CB-CB 4.1Å; T217-E249 HydrophobicContact CG2-CG 3.8Å; L218-E249 HydrophobicContact CD2-CB 4.28Å; L218-E249 HydrophobicContact CG-CB 4.2Å; E245-E249 HydrophobicContact CG-CG 4.35Å; E245-E249 WeakPolarHBondContact O-CG 3.23Å; E245-E249 PolarHBondContact O-N 3.33Å; E246-E249 PolarHBondContact O-N 2.74Å; E249-V251 VanDerWaalsContact C-N 3.3Å; E249-V251 PolarHBondContact O-N 2.93Å; E249-Q252 VanDerWaalsContact CD-NE2 3.27Å; E249-Q252 PolarHBondContact O-N 2.86Å; E249-Q252 PolarHBondContact OE1-NE2 3.34Å; E249-Q252 PolarHBondContact OE2-NE2 3.42Å; E249-Q252 VanDerWaalsContact OE2-NE2 3.09Å; E249-R253 WeakPolarHBondContact O-CB 3.48Å; E249-R253 PolarHBondContact O-N 3.25Å
250E76.8Confident73Confident43 Ų4368.1 Ų68.120%0.20133%0.333CS..Hα-helixtrans-56.7-43.9168.5-77.9175.5161.100111.2L218 E246 R253 L254L218-E250 HydrophobicContact CD1-CG 4.5Å; L218-E250 HydrophobicContact CD2-CG 3.89Å; E246-E250 WeakPolarHBondContact O-CB 3.41Å; E246-E250 VanDerWaalsContact O-CG 3.29Å; E246-E250 WeakPolarHBondContact O-CG 3.42Å; E246-E250 PolarHBondContact O-N 3.31Å; E250-R253 PolarHBondContact O-N 3.39Å; E250-L254 VanDerWaalsContact O-CB 3.26Å; E250-L254 WeakPolarHBondContact O-CB 3.47Å; E250-L254 WeakPolarHBondContact O-CG 3.41Å; E250-L254 PolarHBondContact O-N 2.91Å
251V74.3Confident72.2Confident95 Ų9561.5 Ų61.558%0.57631%0.305SS*.Hα-helixtrans-65.5-41.3175.8171.10000111.8R247 R248 E249 G255R247-V251 VanDerWaalsContact O-CG2 3.28Å; R247-V251 WeakPolarHBondContact O-CG2 3.44Å; R247-V251 PolarHBondContact O-N 2.65Å; R247-V251 VanDerWaalsContact O-N 3.08Å; R248-V251 PolarHBondContact O-N 3.45Å; E249-V251 VanDerWaalsContact C-N 3.3Å; E249-V251 PolarHBondContact O-N 2.93Å; V251-G255 WeakPolarHBondContact O-CA 3.34Å; V251-G255 PolarHBondContact O-N 2.98Å
252Q75.3Confident71.2Confident51 Ų5164 Ų6424%0.23832%0.315CS..Hα-helixtrans-63.7-42.3176.4-77177.171.400111.8A214 R248 E249 G256A214-Q252 HydrophobicContact CB-CB 4.36Å; R248-Q252 PolarHBondContact O-N 2.79Å; R248-Q252 VanDerWaalsContact O-N 3.09Å; E249-Q252 VanDerWaalsContact CD-NE2 3.27Å; E249-Q252 PolarHBondContact O-N 2.86Å; E249-Q252 PolarHBondContact OE1-NE2 3.34Å; E249-Q252 PolarHBondContact OE2-NE2 3.42Å; E249-Q252 VanDerWaalsContact OE2-NE2 3.09Å; Q252-G256 PolarHBondContact O-N 3.21Å
253R74.2Confident70.1Confident13 Ų1370.6 Ų70.65%0.04934%0.338CS..Hα-helixtrans-62.3-55.4175.2-173.8-173.46374.7-3.1111.2Y211 A214 L218 E249 E250 G255 G256 W257 D304Y211-R253 HydrophobicContact CE2-CG 4.4Å; A214-R253 HydrophobicContact CB-CB 4.22Å; L218-R253 HydrophobicContact CD1-CB 4.47Å; E249-R253 WeakPolarHBondContact O-CB 3.48Å; E249-R253 PolarHBondContact O-N 3.25Å; E250-R253 PolarHBondContact O-N 3.39Å; R253-G255 VanDerWaalsContact C-N 3.29Å; R253-G255 PolarHBondContact O-N 2.94Å; R253-G256 WeakPolarHBondContact O-CA 3.35Å; R253-G256 PolarHBondContact O-N 2.78Å; R253-W257 PolarHBondContact O-N 3.38Å; R253-D304 IonicContact CZ-OD1 3.93Å; R253-D304 IonicContact CZ-OD2 3.61Å; R253-D304 IonicContact NH1-OD1 3.63Å; R253-D304 PolarHBondContact NH1-OD1 3.25Å; R253-D304 IonicContact NH1-OD2 2.99Å; R253-D304 PolarHBondContact NH1-OD2 3.02Å; R253-D304 IonicContact NH2-OD2 3Å; R253-D304 PolarHBondContact NH2-OD2 3.38Å
254L68.6Low69.1Low58 Ų5871.5 Ų71.530%0.30434%0.342SS..Hα-helixtrans-61.8-34.4178.2-70.6173.6000112.8E250 G256 W257 T258E250-L254 VanDerWaalsContact O-CB 3.26Å; E250-L254 WeakPolarHBondContact O-CB 3.47Å; E250-L254 WeakPolarHBondContact O-CG 3.41Å; E250-L254 PolarHBondContact O-N 2.91Å; L254-G256 VanDerWaalsContact C-N 3.3Å; L254-W257 WeakPolarHBondContact O-CB 3.1Å; L254-W257 PolarHBondContact O-N 3.24Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 3.42Å
255G65.8Low67.9Low30 Ų3067.6 Ų67.631%0.30933%0.328SS..Hα-helixtrans-65.5-34.217200000112.3V251 R253 K259V251-G255 WeakPolarHBondContact O-CA 3.34Å; V251-G255 PolarHBondContact O-N 2.98Å; R253-G255 VanDerWaalsContact C-N 3.29Å; R253-G255 PolarHBondContact O-N 2.94Å; G255-K259 WeakPolarHBondContact O-CG 3.27Å; G255-K259 PolarHBondContact O-N 2.73Å
256G65.2Low66.5Low29 Ų2969.2 Ų69.230%0.29935%0.348SS..Hα-helixtrans-60.6-50.4166.700000111.5Q252 R253 L254 K259 V260Q252-G256 PolarHBondContact O-N 3.21Å; R253-G256 WeakPolarHBondContact O-CA 3.35Å; R253-G256 PolarHBondContact O-N 2.78Å; L254-G256 VanDerWaalsContact C-N 3.3Å; G256-K259 PolarHBondContact O-N 3.22Å; G256-V260 VanDerWaalsContact O-CG2 3.3Å; G256-V260 WeakPolarHBondContact O-CG2 3.28Å; G256-V260 PolarHBondContact O-N 2.99Å
257W62.3Low65.1Low18 Ų1872.2 Ų72.27%0.06837%0.37CS..Hα-helixtrans-59.7-48.1178.6-72.3107.9000114.2M197 R253 L254 K259 V260 L261 V303 D304 M307M197-W257 HydrophobicContact SD-CH2 3.42Å; M197-W257 WeakPolarHBondContact SD-CH2 3.45Å; M197-W257 HydrophobicContact SD-CZ2 4.34Å; M197-W257 HydrophobicContact SD-CZ3 3.72Å; R253-W257 PolarHBondContact O-N 3.38Å; L254-W257 WeakPolarHBondContact O-CB 3.1Å; L254-W257 PolarHBondContact O-N 3.24Å; W257-K259 VanDerWaalsContact C-N 3.26Å; W257-K259 PolarHBondContact O-N 2.9Å; W257-V260 WeakPolarHBondContact O-CA 3.47Å; W257-V260 WeakPolarHBondContact O-CB 3.31Å; W257-V260 PolarHBondContact O-N 3.18Å; W257-L261 PolarHBondContact O-N 2.73Å; W257-V303 HydrophobicContact CH2-CB 3.51Å; W257-V303 HydrophobicContact CH2-CG1 3.18Å; W257-V303 HydrophobicContact CZ2-CB 4.45Å; W257-V303 HydrophobicContact CZ2-CG1 4.33Å; W257-V303 HydrophobicContact CZ3-CB 3.67Å; W257-V303 HydrophobicContact CZ3-CG1 3.5Å; W257-V303 VanDerWaalsContact CZ3-CG1 3.5Å; W257-V303 HydrophobicContact CZ3-CG2 4.27Å; W257-D304 VanDerWaalsContact CZ2-OD1 3.25Å; W257-D304 WeakPolarHBondContact CZ2-OD1 3.07Å; W257-D304 PolarHBondContact NE1-OD1 2.83Å; W257-D304 VanDerWaalsContact NE1-OD1 3.11Å; W257-M307 HydrophobicContact CH2-CG 3.97Å; W257-M307 HydrophobicContact CZ2-CG 4.08Å
258T58.1Low63.6Low75 Ų7567.3 Ų67.346%0.4635%0.352SS..Hα-helixtrans-62.7-37.5-175.7-54.10000110.8L254 V260 N262L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 3.42Å; T258-V260 VanDerWaalsContact C-N 3.3Å; T258-V260 PolarHBondContact O-N 3.38Å; T258-N262 VanDerWaalsContact O-CB 3.29Å; T258-N262 WeakPolarHBondContact O-CB 3.44Å; T258-N262 PolarHBondContact O-N 3.46Å; T258-N262 VanDerWaalsContact O-N 3.15Å; T258-N262 PolarHBondContact O-ND2 2.74Å
259K60.3Low62Low168 Ų16866.3 Ų66.373%0.7336%0.359SS*.Hα-helixtrans-68.4-30.4174.3-70.1176.1-177.7-1800112.6G255 G256 W257 R263G255-K259 WeakPolarHBondContact O-CG 3.27Å; G255-K259 PolarHBondContact O-N 2.73Å; G256-K259 PolarHBondContact O-N 3.22Å; W257-K259 VanDerWaalsContact C-N 3.26Å; W257-K259 PolarHBondContact O-N 2.9Å; K259-R263 WeakPolarHBondContact O-CB 3.48Å
260V58.3Low60.2Low35 Ų3572.1 Ų72.121%0.21238%0.384CS..Hα-helixtrans-74.1-52.7177.5167.70000110.9G256 W257 T258 R263 E264G256-V260 VanDerWaalsContact O-CG2 3.3Å; G256-V260 WeakPolarHBondContact O-CG2 3.28Å; G256-V260 PolarHBondContact O-N 2.99Å; W257-V260 WeakPolarHBondContact O-CA 3.47Å; W257-V260 WeakPolarHBondContact O-CB 3.31Å; W257-V260 PolarHBondContact O-N 3.18Å; T258-V260 VanDerWaalsContact C-N 3.3Å; T258-V260 PolarHBondContact O-N 3.38Å; V260-R263 PolarHBondContact O-N 3.26Å; V260-E264 PolarHBondContact O-N 3.36Å
261L59.1Low58.5Low25 Ų2574.8 Ų74.813%0.13140%0.4CS..Hα-helixtrans-66.5-45-175.7-172.765.3000112.4W257 R263 E264 L265 L286W257-L261 PolarHBondContact O-N 2.73Å; L261-R263 PolarHBondContact O-N 3Å; L261-E264 PolarHBondContact O-N 3.48Å; L261-L265 HydrophobicContact CD1-CD1 4.44Å; L261-L265 HydrophobicContact CG-CD1 3.99Å; L261-L265 PolarHBondContact O-N 2.76Å; L261-L286 HydrophobicContact CD1-CD2 3.56Å
262N57.1Low56.9Low90 Ų9077.5 Ų77.548%0.48141%0.408SS..Hα-helixtrans-62.8-30.2179.8-71.5-10.7000112.4T258 S266T258-N262 VanDerWaalsContact O-CB 3.29Å; T258-N262 WeakPolarHBondContact O-CB 3.44Å; T258-N262 PolarHBondContact O-N 3.46Å; T258-N262 VanDerWaalsContact O-N 3.15Å; T258-N262 PolarHBondContact O-ND2 2.74Å; N262-S266 PolarHBondContact O-N 3.46Å; N262-S266 PolarHBondContact O-OG 3.2Å
263R53.5Low55.1Low174 Ų17480 Ų8066%0.65743%0.43SS*.Hα-helixtrans-75-39.7180-164.4173.7-177.7179.60.4111.7K259 V260 L261 S266 S267K259-R263 WeakPolarHBondContact O-CB 3.48Å; V260-R263 PolarHBondContact O-N 3.26Å; L261-R263 PolarHBondContact O-N 3Å; R263-S266 PolarHBondContact O-N 3.23Å; R263-S267 PolarHBondContact O-N 2.77Å; R263-S267 PolarHBondContact O-OG 2.83Å
264E54.8Low53.6Low22 Ų2282.4 Ų82.410%0.10345%0.448CS..Hα-helixtrans-63.9-52.2174.2-74-71142.900111.5R199 V260 L261 S266 S267 Y268 R277 L286R199-E264 IonicContact CZ-OE1 2.79Å; R199-E264 IonicContact NE-OE1 2.95Å; R199-E264 IonicContact NH2-OE1 2.65Å; R199-E264 PolarHBondContact NH2-OE1 2.99Å; V260-E264 PolarHBondContact O-N 3.36Å; L261-E264 PolarHBondContact O-N 3.48Å; E264-S266 PolarHBondContact O-N 3.09Å; E264-S267 CarbonylContact O-C 3.49Å; E264-S267 PolarHBondContact O-N 2.86Å; E264-S267 PolarHBondContact O-OG 3.09Å; E264-Y268 WeakPolarHBondContact O-CB 3.34Å; E264-Y268 PolarHBondContact O-N 3.42Å; E264-R277 IonicContact OE2-NH2 2.78Å; E264-L286 HydrophobicContact CB-CD1 4.38Å
265L55.7Low52.2Low94 Ų9488.4 Ų88.449%0.49248%0.475SS..Hα-helixtrans-56.4-26.5179.4-74.4166.6000112.6L261L261-L265 HydrophobicContact CD1-CD1 4.44Å; L261-L265 HydrophobicContact CG-CD1 3.99Å; L261-L265 PolarHBondContact O-N 2.76Å
266S52.5Low51.2Low107 Ų10797 Ų9775%0.74850%0.504SS*.Hα-helixtrans-84.6-23.3176.7-53.50000113.9N262 R263 E264N262-S266 PolarHBondContact O-N 3.46Å; N262-S266 PolarHBondContact O-OG 3.2Å; R263-S266 PolarHBondContact O-N 3.23Å; E264-S266 PolarHBondContact O-N 3.09Å
267S52.6Low50.3Low75 Ų75101.3 Ų101.352%0.52451%0.511SS..Hα-helixtrans-111.80.8-174.6630000114.2R263 E264 D269R263-S267 PolarHBondContact O-N 2.77Å; R263-S267 PolarHBondContact O-OG 2.83Å; E264-S267 CarbonylContact O-C 3.49Å; E264-S267 PolarHBondContact O-N 2.86Å; E264-S267 PolarHBondContact O-OG 3.09Å; S267-D269 VanDerWaalsContact C-N 3.33Å; S267-D269 PolarHBondContact O-N 3.38Å
268Y48.8Very low49.8Very low48 Ų48105.1 Ų105.119%0.18853%0.526CS..  trans-76.184.1-176.5-144.6-100.4000110.2E264E264-Y268 WeakPolarHBondContact O-CB 3.34Å; E264-Y268 PolarHBondContact O-N 3.42Å
269D47.2Very low49.6Very low138 Ų138106.3 Ų106.374%0.73853%0.528SS*.  trans-89.2117.7166.6-154.31.8000107.8S267 D271S267-D269 VanDerWaalsContact C-N 3.33Å; S267-D269 PolarHBondContact O-N 3.38Å; D269-D271 PolarHBondContact O-N 2.85Å
270F44.8Very low49.8Very low127 Ų12798.6 Ų98.656%0.55750%0.496SS*.  trans-78.367.7-176.3-170.4-100.9000109.9M272F270-M272 HydrophobicContact CD1-CG 3.61Å; F270-M272 HydrophobicContact CE1-CB 4.45Å; F270-M272 HydrophobicContact CE1-CG 3.06Å; F270-M272 HydrophobicContact CE1-SD 3.66Å; F270-M272 HydrophobicContact CE2-CG 4.24Å; F270-M272 HydrophobicContact CE2-SD 3.89Å; F270-M272 HydrophobicContact CG-CG 4.41Å; F270-M272 HydrophobicContact CZ-CE 4.39Å; F270-M272 HydrophobicContact CZ-CG 3.43Å; F270-M272 VanDerWaalsContact CZ-CG 3.43Å; F270-M272 HydrophobicContact CZ-SD 3.28Å; F270-M272 WeakPolarHBondContact CZ-SD 3.36Å; F270-M272 PolarHBondContact O-N 2.97Å
271D40.8Very low50.5Low99 Ų9997.2 Ų97.253%0.52949%0.487SS..  trans-84.693.7166.6-166.41.1000109.5D269 C273 S274D269-D271 PolarHBondContact O-N 2.85Å; D271-C273 PolarHBondContact O-N 3.18Å; D271-C273 WeakPolarHBondContact OD1-CB 3.41Å; D271-C273 PolarHBondContact OD1-N 3.44Å; D271-S274 PolarHBondContact O-N 3.42Å
272M40.1Very low51.3Low152 Ų15296.4 Ų96.475%0.74948%0.483SS*.THydrogen-bonded Turntrans-59.6-9.8172.7-77.4-74.4-75.100113.6F270F270-M272 HydrophobicContact CD1-CG 3.61Å; F270-M272 HydrophobicContact CE1-CB 4.45Å; F270-M272 HydrophobicContact CE1-CG 3.06Å; F270-M272 HydrophobicContact CE1-SD 3.66Å; F270-M272 HydrophobicContact CE2-CG 4.24Å; F270-M272 HydrophobicContact CE2-SD 3.89Å; F270-M272 HydrophobicContact CG-CG 4.41Å; F270-M272 HydrophobicContact CZ-CE 4.39Å; F270-M272 HydrophobicContact CZ-CG 3.43Å; F270-M272 VanDerWaalsContact CZ-CG 3.43Å; F270-M272 HydrophobicContact CZ-SD 3.28Å; F270-M272 WeakPolarHBondContact CZ-SD 3.36Å; F270-M272 PolarHBondContact O-N 2.97Å
273C38.4Very low52.2Low104 Ų10492.6 Ų92.670%0.70346%0.463SS*.THydrogen-bonded Turntrans-102-7.1-175.2-147.90000114.2D271 Q275D271-C273 PolarHBondContact O-N 3.18Å; D271-C273 WeakPolarHBondContact OD1-CB 3.41Å; D271-C273 PolarHBondContact OD1-N 3.44Å; C273-Q275 PolarHBondContact O-N 2.96Å
274S40.9Very low53.2Low62 Ų6286.2 Ų86.243%0.43444%0.442SS..SBendtrans-78.189.3179.374.80000111.2D271 K276D271-S274 PolarHBondContact O-N 3.42Å; S274-K276 PolarHBondContact O-N 3.1Å
275Q40.6Very low54.2Low184 Ų18485.2 Ų85.286%0.8644%0.437SS*.THydrogen-bonded Turntrans10.8107152.3-65.8-178.1-37.100115.9C273 R277C273-Q275 PolarHBondContact O-N 2.96Å; Q275-R277 VanDerWaalsContact C-N 3.27Å; Q275-R277 PolarHBondContact O-N 2.88Å
276K43.6Very low55.2Low210 Ų21081.4 Ų81.491%0.91342%0.417SS*.THydrogen-bonded Turntrans5137.4159.6-62.9-176174.3-175.80115.3S274 R278S274-K276 PolarHBondContact O-N 3.1Å; K276-R278 PolarHBondContact O-N 3.33Å
277R46.8Very low56.2Low121 Ų12178.8 Ų78.846%0.45739%0.393SS..  trans-60.5112.3167.6-163.8173.4162.6179.5-6.8106.8E264 Q275 L279 D283E264-R277 IonicContact OE2-NH2 2.78Å; Q275-R277 VanDerWaalsContact C-N 3.27Å; Q275-R277 PolarHBondContact O-N 2.88Å; R277-L279 PolarHBondContact O-N 3.44Å; R277-D283 IonicContact NH2-OD1 2.73Å
278R52Low57.2Low98 Ų9875.9 Ų75.937%0.3737%0.371SS..  trans-47.7104.8172.9-67.8174.8178.4175-1.2105.8E154 E194 K276 A280E154-R278 IonicContact OE1-NH2 3.86Å; E154-R278 PolarHBondContact OE1-NH2 3.12Å; E154-R278 IonicContact OE2-CZ 2.68Å; E154-R278 IonicContact OE2-NE 3.12Å; E154-R278 IonicContact OE2-NH2 2.87Å; E154-R278 PolarHBondContact OE2-NH2 3.28Å; E194-R278 IonicContact OE1-NH1 3.48Å; E194-R278 PolarHBondContact OE1-NH1 3.11Å; K276-R278 PolarHBondContact O-N 3.33Å; R278-A280 VanDerWaalsContact C-N 3.28Å; R278-A280 PolarHBondContact O-N 3.46Å
279L53.7Low58.6Low99 Ų9974.5 Ų74.552%0.51837%0.37SS..  trans-6799.7176.1-74.7171.8000105.6R277 D283R277-L279 PolarHBondContact O-N 3.44Å; L279-D283 HydrophobicContact CD2-CB 4.2Å
280A65.2Low60.1Low7 Ų773.8 Ų73.86%0.05836%0.362CS..  trans-63148.7169.400000107R278 L282 D283 L284R278-A280 VanDerWaalsContact C-N 3.28Å; R278-A280 PolarHBondContact O-N 3.46Å; A280-L282 HydrophobicContact CB-CB 4.47Å; A280-L282 PolarHBondContact O-N 3.11Å; A280-L282 VanDerWaalsContact O-N 3.1Å; A280-D283 PolarHBondContact N-OD2 3.46Å; A280-D283 WeakPolarHBondContact O-CB 3.29Å; A280-D283 PolarHBondContact O-N 2.95Å; A280-L284 PolarHBondContact O-N 3.43Å
281F72Confident61.8Low6 Ų674.2 Ų74.23%0.02637%0.365CS..Hα-helixtrans-50.8-35.5172.4165.3-94.5000111.8L140 T143 F144 A196 L284 L285 E302 V303 F306L140-F281 HydrophobicContact CB-CE2 4.36Å; L140-F281 HydrophobicContact CD1-CE2 4.09Å; L140-F281 HydrophobicContact CD1-CZ 4.18Å; L140-F281 HydrophobicContact CD2-CD2 4.23Å; L140-F281 HydrophobicContact CD2-CE2 3.25Å; L140-F281 HydrophobicContact CD2-CZ 3.68Å; L140-F281 HydrophobicContact CG-CE2 4.06Å; L140-F281 HydrophobicContact CG-CZ 4.49Å; T143-F281 HydrophobicContact CG2-CD2 4.1Å; F144-F281 HydrophobicContact CE2-CD2 4.31Å; F144-F281 HydrophobicContact CE2-CE2 4.4Å; A196-F281 HydrophobicContact CB-CB 4.27Å; A196-F281 HydrophobicContact CB-CD1 4.32Å; A196-F281 WeakPolarHBondContact O-CB 3.4Å; A196-F281 PolarHBondContact O-N 3.44Å; F281-L284 PolarHBondContact O-N 3.03Å; F281-L285 HydrophobicContact CD1-CD1 3.97Å; F281-L285 HydrophobicContact CD1-CG 4.46Å; F281-L285 HydrophobicContact CE1-CD1 3.24Å; F281-L285 HydrophobicContact CE1-CG 3.93Å; F281-L285 HydrophobicContact CZ-CD1 3.6Å; F281-L285 HydrophobicContact CZ-CD2 4.15Å; F281-L285 HydrophobicContact CZ-CG 3.93Å; F281-L285 PolarHBondContact O-N 3.46Å; F281-E302 HydrophobicContact CZ-CB 4.36Å; F281-V303 HydrophobicContact CE1-CG2 4.5Å; F281-F306 HydrophobicContact CD1-CD2 4.16Å; F281-F306 HydrophobicContact CD2-CE2 4.48Å; F281-F306 HydrophobicContact CE1-CB 4.5Å; F281-F306 AromaticContact CE1-CD2 3.28Å; F281-F306 HydrophobicContact CE1-CD2 3.28Å; F281-F306 AromaticContact CE1-CE2 3.76Å; F281-F306 HydrophobicContact CE1-CE2 3.76Å; F281-F306 HydrophobicContact CE1-CG 4.02Å; F281-F306 AromaticContact CE2-CD2 3.75Å; F281-F306 HydrophobicContact CE2-CD2 3.75Å; F281-F306 HydrophobicContact CE2-CE1 4.45Å; F281-F306 AromaticContact CE2-CE2 3.41Å; F281-F306 HydrophobicContact CE2-CE2 3.41Å; F281-F306 VanDerWaalsContact CE2-CE2 3.41Å; F281-F306 HydrophobicContact CE2-CG 4.45Å; F281-F306 AromaticContact CE2-CZ 3.77Å; F281-F306 HydrophobicContact CE2-CZ 3.77Å; F281-F306 AromaticContact CZ-CD2 3.08Å; F281-F306 HydrophobicContact CZ-CD2 3.08Å; F281-F306 AromaticContact CZ-CE2 3Å; F281-F306 HydrophobicContact CZ-CE2 3Å; F281-F306 HydrophobicContact CZ-CG 4.04Å; F281-F306 AromaticContact CZ-CZ 3.86Å; F281-F306 HydrophobicContact CZ-CZ 3.86Å
282L76.5Confident63.6Low8 Ų872.5 Ų72.54%0.04237%0.372CS..Hα-helixtrans-59.7-41.7172.7-179.862.2000113.5A196 M197 A280 L284 L285 L286 V299 V303A196-L282 PolarHBondContact O-N 2.65Å; M197-L282 HydrophobicContact CB-CD2 4.49Å; A280-L282 HydrophobicContact CB-CB 4.47Å; A280-L282 PolarHBondContact O-N 3.11Å; A280-L282 VanDerWaalsContact O-N 3.1Å; L282-L284 VanDerWaalsContact C-N 3.26Å; L282-L284 PolarHBondContact O-N 2.64Å; L282-L285 WeakPolarHBondContact O-CB 3.37Å; L282-L285 PolarHBondContact O-N 3.29Å; L282-L285 VanDerWaalsContact O-N 3.12Å; L282-L286 HydrophobicContact CD1-CD1 4.33Å; L282-L286 HydrophobicContact CD1-CD2 4.44Å; L282-L286 HydrophobicContact CD1-CG 4.11Å; L282-L286 HydrophobicContact CG-CD1 4.01Å; L282-L286 HydrophobicContact CG-CG 4.24Å; L282-L286 WeakPolarHBondContact O-CG 3.48Å; L282-L286 PolarHBondContact O-N 2.98Å; L282-V299 HydrophobicContact CD1-CG1 4.14Å; L282-V303 HydrophobicContact CD1-CG2 3.79Å
283D75.6Confident65.3Low10 Ų1069.9 Ų69.95%0.05336%0.36CS..Hα-helixtrans-60.4-39.6179.7-67.3-48.1000110.9R277 L279 A280 L286 Q287R277-D283 IonicContact NH2-OD1 2.73Å; L279-D283 HydrophobicContact CD2-CB 4.2Å; A280-D283 PolarHBondContact N-OD2 3.46Å; A280-D283 WeakPolarHBondContact O-CB 3.29Å; A280-D283 PolarHBondContact O-N 2.95Å; D283-L286 PolarHBondContact O-N 3.33Å; D283-Q287 WeakPolarHBondContact O-CG 3.36Å; D283-Q287 PolarHBondContact O-N 2.99Å
284L74Confident67.2Low40 Ų4065.8 Ų65.821%0.20933%0.332CS..Hα-helixtrans-65.3-42.8176-17570.1000111.5T143 A280 F281 L282 L286 Q287 M288T143-L284 HydrophobicContact CG2-CB 4.24Å; T143-L284 HydrophobicContact CG2-CD2 3.17Å; T143-L284 HydrophobicContact CG2-CG 4.3Å; A280-L284 PolarHBondContact O-N 3.43Å; F281-L284 PolarHBondContact O-N 3.03Å; L282-L284 VanDerWaalsContact C-N 3.26Å; L282-L284 PolarHBondContact O-N 2.64Å; L284-L286 VanDerWaalsContact C-N 3.33Å; L284-L286 PolarHBondContact O-N 2.71Å; L284-Q287 PolarHBondContact O-N 2.95Å; L284-M288 HydrophobicContact CD1-CE 3.74Å; L284-M288 HydrophobicContact CD2-CE 3.74Å; L284-M288 HydrophobicContact CG-CE 3.57Å; L284-M288 HydrophobicContact CG-SD 4.34Å; L284-M288 VanDerWaalsContact O-CG 3.28Å; L284-M288 WeakPolarHBondContact O-CG 3.46Å; L284-M288 PolarHBondContact O-N 3.17Å
285L75.5Confident69.1Low1 Ų166.5 Ų66.51%0.00533%0.333CS..Hα-helixtrans-62.9-40.1177.2-72.1-177.2000112.2L140 F281 L282 M288 A289 L294 V299 E302 V303L140-L285 HydrophobicContact CD2-CD2 3.65Å; L140-L285 HydrophobicContact CD2-CG 4.5Å; F281-L285 HydrophobicContact CD1-CD1 3.97Å; F281-L285 HydrophobicContact CD1-CG 4.46Å; F281-L285 HydrophobicContact CE1-CD1 3.24Å; F281-L285 HydrophobicContact CE1-CG 3.93Å; F281-L285 HydrophobicContact CZ-CD1 3.6Å; F281-L285 HydrophobicContact CZ-CD2 4.15Å; F281-L285 HydrophobicContact CZ-CG 3.93Å; F281-L285 PolarHBondContact O-N 3.46Å; L282-L285 WeakPolarHBondContact O-CB 3.37Å; L282-L285 PolarHBondContact O-N 3.29Å; L282-L285 VanDerWaalsContact O-N 3.12Å; L285-M288 PolarHBondContact O-N 3.49Å; L285-A289 PolarHBondContact O-N 2.94Å; L285-L294 HydrophobicContact CD2-CD1 3.67Å; L285-V299 HydrophobicContact CB-CG1 4.03Å; L285-V299 HydrophobicContact CB-CG2 4.24Å; L285-V299 HydrophobicContact CD1-CG1 4.3Å; L285-E302 HydrophobicContact CD1-CB 3.8Å; L285-E302 HydrophobicContact CD2-CB 4.21Å; L285-E302 HydrophobicContact CD2-CG 4.41Å; L285-V303 HydrophobicContact CD1-CG2 3.59Å
286L76.8Confident70.7Confident14 Ų1462.2 Ų62.27%0.07332%0.316CS..Hα-helixtrans-65.8-45.8177.6-68.2175.2000111.5L261 E264 L282 D283 L284 M288 A289 E290 V299L261-L286 HydrophobicContact CD1-CD2 3.56Å; E264-L286 HydrophobicContact CB-CD1 4.38Å; L282-L286 HydrophobicContact CD1-CD1 4.33Å; L282-L286 HydrophobicContact CD1-CD2 4.44Å; L282-L286 HydrophobicContact CD1-CG 4.11Å; L282-L286 HydrophobicContact CG-CD1 4.01Å; L282-L286 HydrophobicContact CG-CG 4.24Å; L282-L286 WeakPolarHBondContact O-CG 3.48Å; L282-L286 PolarHBondContact O-N 2.98Å; D283-L286 PolarHBondContact O-N 3.33Å; L284-L286 VanDerWaalsContact C-N 3.33Å; L284-L286 PolarHBondContact O-N 2.71Å; L286-M288 PolarHBondContact O-N 2.84Å; L286-A289 WeakPolarHBondContact O-CB 3.34Å; L286-A289 PolarHBondContact O-N 3.14Å; L286-E290 PolarHBondContact O-N 3.37Å; L286-V299 HydrophobicContact CD2-CG1 4.38Å
287Q74.9Confident72.3Confident51 Ų5157.2 Ų57.224%0.23830%0.296CS..Hα-helixtrans-58.6-37.8174.6-72.7174.31800112.2D283 L284 E290 Q291D283-Q287 WeakPolarHBondContact O-CG 3.36Å; D283-Q287 PolarHBondContact O-N 2.99Å; L284-Q287 PolarHBondContact O-N 2.95Å; Q287-E290 PolarHBondContact O-N 2.93Å; Q287-Q291 VanDerWaalsContact O-CG 3.29Å; Q287-Q291 WeakPolarHBondContact O-CG 3.38Å; Q287-Q291 PolarHBondContact O-N 3.34Å; Q287-Q291 VanDerWaalsContact O-N 3.08Å
288M73.2Confident73.7Confident15 Ų1553 Ų537%0.07428%0.283CS..Hα-helixtrans-68.9-34.9175.7-72.2177.2-176.300112.5L139 L284 L285 L286 Q291 G292 N293 L294L139-M288 HydrophobicContact CB-CE 3.67Å; L139-M288 HydrophobicContact CB-SD 3.86Å; L139-M288 HydrophobicContact CD1-SD 4.1Å; L139-M288 HydrophobicContact CD2-CE 3.79Å; L139-M288 HydrophobicContact CD2-SD 4.26Å; L139-M288 HydrophobicContact CG-CE 4.21Å; L139-M288 HydrophobicContact CG-SD 4.29Å; L284-M288 HydrophobicContact CD1-CE 3.74Å; L284-M288 HydrophobicContact CD2-CE 3.74Å; L284-M288 HydrophobicContact CG-CE 3.57Å; L284-M288 HydrophobicContact CG-SD 4.34Å; L284-M288 VanDerWaalsContact O-CG 3.28Å; L284-M288 WeakPolarHBondContact O-CG 3.46Å; L284-M288 PolarHBondContact O-N 3.17Å; L285-M288 PolarHBondContact O-N 3.49Å; L286-M288 PolarHBondContact O-N 2.84Å; M288-Q291 PolarHBondContact O-N 2.78Å; M288-G292 PolarHBondContact O-N 3.06Å; M288-N293 HydrophobicContact CB-CB 4.35Å; M288-N293 WeakPolarHBondContact O-CB 2.95Å; M288-N293 PolarHBondContact O-N 3.43Å; M288-L294 HydrophobicContact CB-CD1 3.78Å; M288-L294 HydrophobicContact CB-CG 4.03Å; M288-L294 PolarHBondContact O-N 3.38Å; M288-L294 HydrophobicContact SD-CD1 4.22Å
289A78.5Confident74.9Confident19 Ų1948.5 Ų48.516%0.15727%0.266CS..Hα-helixtrans-66.3-42174.700000111.6L285 L286 Q291 G292 L294 V299L285-A289 PolarHBondContact O-N 2.94Å; L286-A289 WeakPolarHBondContact O-CB 3.34Å; L286-A289 PolarHBondContact O-N 3.14Å; A289-Q291 VanDerWaalsContact C-N 3.31Å; A289-Q291 PolarHBondContact O-N 3.09Å; A289-G292 PolarHBondContact O-N 3.33Å; A289-L294 VanDerWaalsContact CA-O 3.27Å; A289-L294 WeakPolarHBondContact CA-O 3.45Å; A289-L294 HydrophobicContact CB-CB 4.41Å; A289-V299 HydrophobicContact CB-CG2 3.84Å
290E78.9Confident75.9Confident122 Ų12248.3 Ų48.357%0.5726%0.259SS*.Hα-helixtrans-62.5-36.4174.6-70.8179.1174.800112.9L286 Q287 G292L286-E290 PolarHBondContact O-N 3.37Å; Q287-E290 PolarHBondContact O-N 2.93Å; E290-G292 PolarHBondContact O-N 2.97Å
291Q79.4Confident76.5Confident136 Ų13649.4 Ų49.464%0.63626%0.262SS*.THydrogen-bonded Turntrans-72.9-2174-69.8172.1500113.5Q287 M288 A289 N293Q287-Q291 VanDerWaalsContact O-CG 3.29Å; Q287-Q291 WeakPolarHBondContact O-CG 3.38Å; Q287-Q291 PolarHBondContact O-N 3.34Å; Q287-Q291 VanDerWaalsContact O-N 3.08Å; M288-Q291 PolarHBondContact O-N 2.78Å; A289-Q291 VanDerWaalsContact C-N 3.31Å; A289-Q291 PolarHBondContact O-N 3.09Å; Q291-N293 VanDerWaalsContact C-N 3.25Å; Q291-N293 PolarHBondContact O-N 3.33Å; Q291-N293 PolarHBondContact OE1-ND2 3.02Å
292G79.1Confident76.7Confident64 Ų6449.1 Ų49.166%0.6626%0.261SS*.THydrogen-bonded Turntrans74.311.6-177.200000114.3M288 A289 E290M288-G292 PolarHBondContact O-N 3.06Å; A289-G292 PolarHBondContact O-N 3.33Å; E290-G292 PolarHBondContact O-N 2.97Å
293N76.2Confident76.8Confident96 Ų9648.8 Ų48.851%0.51326%0.26SS..SBendtrans-80.7-24178.5-68-45.9000112.6M288 Q291M288-N293 HydrophobicContact CB-CB 4.35Å; M288-N293 WeakPolarHBondContact O-CB 2.95Å; M288-N293 PolarHBondContact O-N 3.43Å; Q291-N293 VanDerWaalsContact C-N 3.25Å; Q291-N293 PolarHBondContact O-N 3.33Å; Q291-N293 PolarHBondContact OE1-ND2 3.02Å
294L78.2Confident76.7Confident19 Ų1948.7 Ų48.710%0.09926%0.259CS..SBendtrans-133.8147.9178.8-65.1178.9000110.2L285 M288 A289 D298 V299L285-L294 HydrophobicContact CD2-CD1 3.67Å; M288-L294 HydrophobicContact CB-CD1 3.78Å; M288-L294 HydrophobicContact CB-CG 4.03Å; M288-L294 PolarHBondContact O-N 3.38Å; M288-L294 HydrophobicContact SD-CD1 4.22Å; A289-L294 VanDerWaalsContact CA-O 3.27Å; A289-L294 WeakPolarHBondContact CA-O 3.45Å; A289-L294 HydrophobicContact CB-CB 4.41Å; L294-D298 HydrophobicContact CB-CB 4.13Å; L294-D298 HydrophobicContact CD2-CB 3.94Å; L294-V299 HydrophobicContact CB-CG2 4.27Å; L294-V299 HydrophobicContact CD1-CG2 4.45Å
295T81.3Confident76.9Confident76 Ų7646.8 Ų46.847%0.46625%0.249SC..  trans-88.1162.2167.766.10000110.7Q297 D298 V299T295-Q297 PolarHBondContact O-N 3.36Å; T295-Q297 VanDerWaalsContact O-N 3.11Å; T295-Q297 PolarHBondContact OG1-N 2.81Å; T295-D298 WeakPolarHBondContact CB-OD2 3.17Å; T295-D298 PolarHBondContact N-OD2 3.45Å; T295-D298 WeakPolarHBondContact O-CB 3.38Å; T295-D298 PolarHBondContact O-N 2.79Å; T295-D298 PolarHBondContact OG1-N 3.13Å; T295-D298 VanDerWaalsContact OG1-N 3.14Å; T295-D298 PolarHBondContact OG1-OD2 3.43Å; T295-V299 PolarHBondContact O-N 2.69Å
296D73.3Confident77.2Confident94 Ų9447.2 Ų47.250%0.50325%0.251SS..Hα-helixtrans-56.8-26.3171.4-65.9-15.7000113R300D296-R300 WeakPolarHBondContact O-CG 3.19Å; D296-R300 PolarHBondContact O-N 2.95Å; D296-R300 PolarHBondContact O-NE 2.8Å; D296-R300 VanDerWaalsContact O-NE 3.12Å
297Q76.6Confident77.2Confident106 Ų10646.9 Ų46.950%0.49525%0.249SC..Hα-helixtrans-71-46.7172.6179.5173.6-14.500110.9T295 V299 R300 E301T295-Q297 PolarHBondContact O-N 3.36Å; T295-Q297 VanDerWaalsContact O-N 3.11Å; T295-Q297 PolarHBondContact OG1-N 2.81Å; Q297-V299 VanDerWaalsContact C-N 3.3Å; Q297-V299 PolarHBondContact O-N 2.76Å; Q297-R300 PolarHBondContact O-N 3.21Å; Q297-R300 VanDerWaalsContact O-N 3.17Å; Q297-E301 HydrophobicContact CG-CG 4.32Å; Q297-E301 WeakPolarHBondContact CG-OE1 3.39Å; Q297-E301 PolarHBondContact NE2-OE1 3.23Å; Q297-E301 WeakPolarHBondContact O-CB 3.32Å; Q297-E301 WeakPolarHBondContact O-CG 3.39Å; Q297-E301 PolarHBondContact O-N 2.92Å
298D77.4Confident77.3Confident32 Ų3244.8 Ų44.817%0.17124%0.239CC..Hα-helixtrans-60.4-41.3178.5-58.5-48000111.6R136 L294 T295 E301 E302R136-D298 IonicContact CZ-OD1 3.27Å; R136-D298 IonicContact NH1-OD1 3.21Å; R136-D298 VanDerWaalsContact NH2-CG 3.32Å; R136-D298 IonicContact NH2-OD1 3.78Å; R136-D298 PolarHBondContact NH2-OD1 3.2Å; L294-D298 HydrophobicContact CB-CB 4.13Å; L294-D298 HydrophobicContact CD2-CB 3.94Å; T295-D298 WeakPolarHBondContact CB-OD2 3.17Å; T295-D298 PolarHBondContact N-OD2 3.45Å; T295-D298 WeakPolarHBondContact O-CB 3.38Å; T295-D298 PolarHBondContact O-N 2.79Å; T295-D298 PolarHBondContact OG1-N 3.13Å; T295-D298 VanDerWaalsContact OG1-N 3.14Å; T295-D298 PolarHBondContact OG1-OD2 3.43Å; D298-E301 PolarHBondContact O-N 3.26Å; D298-E302 WeakPolarHBondContact O-CG 3.03Å; D298-E302 PolarHBondContact O-N 3.43Å
299V76.8Confident77.7Confident4 Ų446.3 Ų46.32%0.02425%0.246CC..Hα-helixtrans-58.5-50.8175.1174.50000110.2L282 L285 L286 A289 L294 T295 Q297 E301 E302 V303L282-V299 HydrophobicContact CD1-CG1 4.14Å; L285-V299 HydrophobicContact CB-CG1 4.03Å; L285-V299 HydrophobicContact CB-CG2 4.24Å; L285-V299 HydrophobicContact CD1-CG1 4.3Å; L286-V299 HydrophobicContact CD2-CG1 4.38Å; A289-V299 HydrophobicContact CB-CG2 3.84Å; L294-V299 HydrophobicContact CB-CG2 4.27Å; L294-V299 HydrophobicContact CD1-CG2 4.45Å; T295-V299 PolarHBondContact O-N 2.69Å; Q297-V299 VanDerWaalsContact C-N 3.3Å; Q297-V299 PolarHBondContact O-N 2.76Å; V299-E301 VanDerWaalsContact C-N 3.33Å; V299-E301 PolarHBondContact O-N 2.75Å; V299-E302 PolarHBondContact O-N 3.46Å; V299-V303 HydrophobicContact CG1-CG2 4.33Å; V299-V303 VanDerWaalsContact O-CG2 3.26Å; V299-V303 WeakPolarHBondContact O-CG2 3.28Å; V299-V303 PolarHBondContact O-N 2.96Å
300R75.2Confident78.1Confident95 Ų9546 Ų4636%0.35825%0.245SC..Hα-helixtrans-60-43.2179.4-75-179.1-68.1137.3-4.8112.5D296 Q297 V303 D304D296-R300 WeakPolarHBondContact O-CG 3.19Å; D296-R300 PolarHBondContact O-N 2.95Å; D296-R300 PolarHBondContact O-NE 2.8Å; D296-R300 VanDerWaalsContact O-NE 3.12Å; Q297-R300 PolarHBondContact O-N 3.21Å; Q297-R300 VanDerWaalsContact O-N 3.17Å; R300-V303 PolarHBondContact O-N 2.95Å; R300-D304 WeakPolarHBondContact O-CB 3.48Å; R300-D304 PolarHBondContact O-N 3.34Å
301E76.6Confident78.6Confident29 Ų2940.2 Ų40.214%0.13622%0.218CC..Hα-helixtrans-63.3-41.3178.6-74.9175.5-179.300112.4S122 P124 Q297 D298 V299 T305S122-E301 WeakPolarHBondContact O-CB 3.36Å; S122-E301 WeakPolarHBondContact O-CG 3.44Å; P124-E301 HydrophobicContact CG-CB 4.03Å; P124-E301 WeakPolarHBondContact CG-OE2 3.44Å; Q297-E301 HydrophobicContact CG-CG 4.32Å; Q297-E301 WeakPolarHBondContact CG-OE1 3.39Å; Q297-E301 PolarHBondContact NE2-OE1 3.23Å; Q297-E301 WeakPolarHBondContact O-CB 3.32Å; Q297-E301 WeakPolarHBondContact O-CG 3.39Å; Q297-E301 PolarHBondContact O-N 2.92Å; D298-E301 PolarHBondContact O-N 3.26Å; V299-E301 VanDerWaalsContact C-N 3.33Å; V299-E301 PolarHBondContact O-N 2.75Å; E301-T305 PolarHBondContact O-N 2.87Å; E301-T305 VanDerWaalsContact O-N 3.09Å; E301-T305 PolarHBondContact O-OG1 3.33Å
302E77.6Confident79Confident1 Ų133.9 Ų33.91%0.00519%0.188CC..Hα-helixtrans-67.8-47.5176.3-71.2-54.9142.800111.3S125 R136 L140 F281 L285 D298 V299 D304 T305 F306S125-E302 PolarHBondContact OG-OE2 3.27Å; R136-E302 WeakPolarHBondContact CD-OE1 3.35Å; R136-E302 IonicContact CZ-OE1 3.31Å; R136-E302 IonicContact NE-OE1 3.43Å; R136-E302 IonicContact NH1-OE1 3.96Å; R136-E302 PolarHBondContact NH1-OE1 3.22Å; L140-E302 WeakPolarHBondContact CD1-OE2 3.01Å; F281-E302 HydrophobicContact CZ-CB 4.36Å; L285-E302 HydrophobicContact CD1-CB 3.8Å; L285-E302 HydrophobicContact CD2-CB 4.21Å; L285-E302 HydrophobicContact CD2-CG 4.41Å; D298-E302 WeakPolarHBondContact O-CG 3.03Å; D298-E302 PolarHBondContact O-N 3.43Å; V299-E302 PolarHBondContact O-N 3.46Å; E302-D304 VanDerWaalsContact C-N 3.29Å; E302-D304 PolarHBondContact O-N 3.07Å; E302-T305 WeakPolarHBondContact O-CA 3.08Å; E302-T305 VanDerWaalsContact O-CB 3.28Å; E302-T305 WeakPolarHBondContact O-CB 3.32Å; E302-T305 PolarHBondContact O-N 3.5Å; E302-F306 WeakPolarHBondContact O-CD2 3.5Å; E302-F306 PolarHBondContact O-N 2.72Å; E302-F306 VanDerWaalsContact O-N 3.13Å
303V76.8Confident79.6Confident1 Ų132.6 Ų32.61%0.00617%0.167CC..Hα-helixtrans-64.1-38.1-179.8-160.40000111M197 W257 F281 L282 L285 V299 R300 T305 F306 M307M197-V303 HydrophobicContact CG-CG1 3.75Å; M197-V303 HydrophobicContact SD-CG1 4.06Å; W257-V303 HydrophobicContact CH2-CB 3.51Å; W257-V303 HydrophobicContact CH2-CG1 3.18Å; W257-V303 HydrophobicContact CZ2-CB 4.45Å; W257-V303 HydrophobicContact CZ2-CG1 4.33Å; W257-V303 HydrophobicContact CZ3-CB 3.67Å; W257-V303 HydrophobicContact CZ3-CG1 3.5Å; W257-V303 VanDerWaalsContact CZ3-CG1 3.5Å; W257-V303 HydrophobicContact CZ3-CG2 4.27Å; F281-V303 HydrophobicContact CE1-CG2 4.5Å; L282-V303 HydrophobicContact CD1-CG2 3.79Å; L285-V303 HydrophobicContact CD1-CG2 3.59Å; V299-V303 HydrophobicContact CG1-CG2 4.33Å; V299-V303 VanDerWaalsContact O-CG2 3.26Å; V299-V303 WeakPolarHBondContact O-CG2 3.28Å; V299-V303 PolarHBondContact O-N 2.96Å; R300-V303 PolarHBondContact O-N 2.95Å; V303-T305 VanDerWaalsContact C-N 3.26Å; V303-T305 PolarHBondContact O-N 3.13Å; V303-F306 PolarHBondContact O-N 3.29Å; V303-M307 HydrophobicContact CG1-CG 4.23Å; V303-M307 WeakPolarHBondContact O-CB 3.37Å; V303-M307 VanDerWaalsContact O-CG 3.26Å; V303-M307 WeakPolarHBondContact O-CG 3.27Å; V303-M307 PolarHBondContact O-N 3.08Å
304D75.4Confident80.6Confident8 Ų828.2 Ų28.24%0.04314%0.144CC..Hα-helixtrans-58-39172.6-87.1-27.4000112.4R253 W257 R300 E302 F308R253-D304 IonicContact CZ-OD1 3.93Å; R253-D304 IonicContact CZ-OD2 3.61Å; R253-D304 IonicContact NH1-OD1 3.63Å; R253-D304 PolarHBondContact NH1-OD1 3.25Å; R253-D304 IonicContact NH1-OD2 2.99Å; R253-D304 PolarHBondContact NH1-OD2 3.02Å; R253-D304 IonicContact NH2-OD2 3Å; R253-D304 PolarHBondContact NH2-OD2 3.38Å; W257-D304 VanDerWaalsContact CZ2-OD1 3.25Å; W257-D304 WeakPolarHBondContact CZ2-OD1 3.07Å; W257-D304 PolarHBondContact NE1-OD1 2.83Å; W257-D304 VanDerWaalsContact NE1-OD1 3.11Å; R300-D304 WeakPolarHBondContact O-CB 3.48Å; R300-D304 PolarHBondContact O-N 3.34Å; E302-D304 VanDerWaalsContact C-N 3.29Å; E302-D304 PolarHBondContact O-N 3.07Å; D304-F308 PolarHBondContact O-N 3.13Å
305T77.5Confident81.3Confident0 Ų027.3 Ų27.30%014%0.139CC..Hα-helixtrans-60.9-52.3177.3-55.40000111M123 E301 E302 V303 M307 F308 E309M123-T305 WeakPolarHBondContact CA-OG1 3.43Å; M123-T305 HydrophobicContact CB-CG2 4.16Å; M123-T305 VanDerWaalsContact CB-OG1 3.27Å; M123-T305 WeakPolarHBondContact CB-OG1 3.21Å; M123-T305 HydrophobicContact CG-CG2 4.38Å; M123-T305 VanDerWaalsContact CG-OG1 3.31Å; M123-T305 WeakPolarHBondContact CG-OG1 3.29Å; M123-T305 HydrophobicContact SD-CG2 4.18Å; E301-T305 PolarHBondContact O-N 2.87Å; E301-T305 VanDerWaalsContact O-N 3.09Å; E301-T305 PolarHBondContact O-OG1 3.33Å; E302-T305 WeakPolarHBondContact O-CA 3.08Å; E302-T305 VanDerWaalsContact O-CB 3.28Å; E302-T305 WeakPolarHBondContact O-CB 3.32Å; E302-T305 PolarHBondContact O-N 3.5Å; V303-T305 VanDerWaalsContact C-N 3.26Å; V303-T305 PolarHBondContact O-N 3.13Å; T305-M307 PolarHBondContact O-N 2.69Å; T305-F308 PolarHBondContact O-N 2.91Å; T305-E309 HydrophobicContact CG2-CG 4.29Å; T305-E309 WeakPolarHBondContact CG2-OE1 3.28Å; T305-E309 WeakPolarHBondContact O-CB 3.33Å; T305-E309 WeakPolarHBondContact O-CG 3.01Å; T305-E309 PolarHBondContact O-N 2.6Å
306F81Confident81.9Confident10 Ų1023.7 Ų23.74%0.04412%0.117CC..Hα-helixtrans-67.2-37.6-179.5-73.1-77.5000112.6L140 F144 I192 F281 E302 V303 F308 G310 I449L140-F306 HydrophobicContact CD1-CE2 3.81Å; L140-F306 HydrophobicContact CD1-CZ 3.95Å; F144-F306 HydrophobicContact CE1-CE1 4.26Å; F144-F306 HydrophobicContact CE2-CD1 4.26Å; F144-F306 AromaticContact CE2-CE1 3.46Å; F144-F306 HydrophobicContact CE2-CE1 3.46Å; F144-F306 VanDerWaalsContact CE2-CE1 3.46Å; F144-F306 AromaticContact CE2-CZ 3.86Å; F144-F306 HydrophobicContact CE2-CZ 3.86Å; F144-F306 AromaticContact CZ-CD1 3.58Å; F144-F306 HydrophobicContact CZ-CD1 3.58Å; F144-F306 AromaticContact CZ-CE1 3.18Å; F144-F306 HydrophobicContact CZ-CE1 3.18Å; F144-F306 HydrophobicContact CZ-CZ 4.04Å; I192-F306 WeakPolarHBondContact CG1-O 3.39Å; F281-F306 HydrophobicContact CD1-CD2 4.16Å; F281-F306 HydrophobicContact CD2-CE2 4.48Å; F281-F306 HydrophobicContact CE1-CB 4.5Å; F281-F306 AromaticContact CE1-CD2 3.28Å; F281-F306 HydrophobicContact CE1-CD2 3.28Å; F281-F306 AromaticContact CE1-CE2 3.76Å; F281-F306 HydrophobicContact CE1-CE2 3.76Å; F281-F306 HydrophobicContact CE1-CG 4.02Å; F281-F306 AromaticContact CE2-CD2 3.75Å; F281-F306 HydrophobicContact CE2-CD2 3.75Å; F281-F306 HydrophobicContact CE2-CE1 4.45Å; F281-F306 AromaticContact CE2-CE2 3.41Å; F281-F306 HydrophobicContact CE2-CE2 3.41Å; F281-F306 VanDerWaalsContact CE2-CE2 3.41Å; F281-F306 HydrophobicContact CE2-CG 4.45Å; F281-F306 AromaticContact CE2-CZ 3.77Å; F281-F306 HydrophobicContact CE2-CZ 3.77Å; F281-F306 AromaticContact CZ-CD2 3.08Å; F281-F306 HydrophobicContact CZ-CD2 3.08Å; F281-F306 AromaticContact CZ-CE2 3Å; F281-F306 HydrophobicContact CZ-CE2 3Å; F281-F306 HydrophobicContact CZ-CG 4.04Å; F281-F306 AromaticContact CZ-CZ 3.86Å; F281-F306 HydrophobicContact CZ-CZ 3.86Å; E302-F306 WeakPolarHBondContact O-CD2 3.5Å; E302-F306 PolarHBondContact O-N 2.72Å; E302-F306 VanDerWaalsContact O-N 3.13Å; V303-F306 PolarHBondContact O-N 3.29Å; F306-F308 VanDerWaalsContact C-N 3.31Å; F306-F308 PolarHBondContact O-N 3.01Å; F306-G310 WeakPolarHBondContact O-CA 3.43Å; F306-G310 PolarHBondContact O-N 3.24Å; F306-I449 HydrophobicContact CE1-CG2 3.68Å; F306-I449 HydrophobicContact CZ-CG2 4.12Å
307M77.8Confident83.1Confident6 Ų619.2 Ų19.23%0.039%0.093CC..Hα-helixtrans-60.5-41.8176.5-78.1-50.7-58.600111.6L189 I192 C193 M197 Y211 W257 V303 T305 H311L189-M307 HydrophobicContact CD1-CE 3.64Å; I192-M307 HydrophobicContact CG1-SD 4.25Å; I192-M307 HydrophobicContact CG2-CE 3.74Å; I192-M307 HydrophobicContact CG2-SD 3.93Å; C193-M307 HydrophobicContact CB-CE 4.37Å; C193-M307 WeakPolarHBondContact SG-CE 3.3Å; M197-M307 HydrophobicContact CE-CE 3.84Å; M197-M307 HydrophobicContact CE-CG 4.42Å; M197-M307 HydrophobicContact CE-SD 3.59Å; M197-M307 VanDerWaalsContact CE-SD 3.59Å; M197-M307 HydrophobicContact CG-CG 4.48Å; M197-M307 HydrophobicContact CG-SD 3.93Å; M197-M307 HydrophobicContact SD-CG 3.98Å; M197-M307 HydrophobicContact SD-SD 3.75Å; Y211-M307 HydrophobicContact CE1-CE 4.43Å; Y211-M307 VanDerWaalsContact OH-CE 3.22Å; Y211-M307 WeakPolarHBondContact OH-CE 3.49Å; W257-M307 HydrophobicContact CH2-CG 3.97Å; W257-M307 HydrophobicContact CZ2-CG 4.08Å; V303-M307 HydrophobicContact CG1-CG 4.23Å; V303-M307 WeakPolarHBondContact O-CB 3.37Å; V303-M307 VanDerWaalsContact O-CG 3.26Å; V303-M307 WeakPolarHBondContact O-CG 3.27Å; V303-M307 PolarHBondContact O-N 3.08Å; T305-M307 PolarHBondContact O-N 2.69Å; M307-H311 PolarHBondContact O-CE1 2.95Å; M307-H311 VanDerWaalsContact O-CE1 3.3Å; M307-H311 PolarHBondContact O-ND1 3.29Å
308F76.4Confident84.1Confident8 Ų814.1 Ų14.14%0.0357%0.07CC..Hα-helixtrans-72.3-52.8176.3177.8-107.6000112.4W119 L120 M123 N219 I222 D304 T305 F306 G310 H311 M486W119-F308 HydrophobicContact CH2-CB 3.87Å; W119-F308 AromaticContact CH2-CD2 3.5Å; W119-F308 HydrophobicContact CH2-CD2 3.5Å; W119-F308 HydrophobicContact CH2-CE2 4.33Å; W119-F308 AromaticContact CH2-CG 3.92Å; W119-F308 HydrophobicContact CH2-CG 3.92Å; W119-F308 HydrophobicContact CZ2-CB 3.94Å; W119-F308 HydrophobicContact CZ2-CD2 4.41Å; W119-F308 HydrophobicContact CZ2-CG 4.42Å; W119-F308 HydrophobicContact CZ3-CD2 4.03Å; W119-F308 HydrophobicContact CZ3-CE2 4.44Å; L120-F308 HydrophobicContact CD2-CD1 3.9Å; L120-F308 HydrophobicContact CD2-CE1 3.75Å; L120-F308 HydrophobicContact CD2-CZ 4.29Å; M123-F308 HydrophobicContact CE-CB 3.68Å; M123-F308 HydrophobicContact CE-CD1 4.2Å; M123-F308 HydrophobicContact CE-CG 4.08Å; M123-F308 HydrophobicContact SD-CD1 4.29Å; N219-F308 HydrophobicContact CB-CE2 4.44Å; N219-F308 WeakPolarHBondContact OD1-CD2 3.34Å; N219-F308 WeakPolarHBondContact OD1-CE2 3.34Å; I222-F308 HydrophobicContact CD1-CE2 4.41Å; D304-F308 PolarHBondContact O-N 3.13Å; T305-F308 PolarHBondContact O-N 2.91Å; F306-F308 VanDerWaalsContact C-N 3.31Å; F306-F308 PolarHBondContact O-N 3.01Å; F308-G310 VanDerWaalsContact C-N 3.33Å; F308-G310 PolarHBondContact O-N 2.75Å; F308-H311 PolarHBondContact O-ND1 3.08Å; F308-M486 HydrophobicContact CE1-SD 4.01Å; F308-M486 HydrophobicContact CZ-SD 3.87Å
309E82.6Confident85Confident47 Ų4712.7 Ų12.722%0.226%0.062CC..Hα-helixtrans-64.4-36.7-173.8-70.3-177.4-179.500112.6M126 T305 T313M126-E309 HydrophobicContact CE-CG 3.78Å; M126-E309 WeakPolarHBondContact CE-OE1 3.22Å; T305-E309 HydrophobicContact CG2-CG 4.29Å; T305-E309 WeakPolarHBondContact CG2-OE1 3.28Å; T305-E309 WeakPolarHBondContact O-CB 3.33Å; T305-E309 WeakPolarHBondContact O-CG 3.01Å; T305-E309 PolarHBondContact O-N 2.6Å; E309-T313 WeakPolarHBondContact O-CG2 3.39Å; E309-T313 PolarHBondContact O-OG1 2.8Å
310G85.4Confident85.9Confident12 Ų1212.5 Ų12.512%0.1246%0.061CC..Hα-helixtrans-75.1-27.1-169.300000115.7F306 F308 T314F306-G310 WeakPolarHBondContact O-CA 3.43Å; F306-G310 PolarHBondContact O-N 3.24Å; F308-G310 VanDerWaalsContact C-N 3.33Å; F308-G310 PolarHBondContact O-N 2.75Å; G310-T314 PolarHBondContact O-OG1 2.89Å
311H90Very high87.1Confident1 Ų18 Ų81%0.0054%0.044CC..Hα-helixtrans-102.9-41.4-176.774.9-75.8000113.8A188 L189 I192 N219 M307 F308 T314 S315A188-H311 HydrophobicContact CB-CB 4.08Å; L189-H311 HydrophobicContact CB-CB 4.23Å; L189-H311 HydrophobicContact CD1-CB 4.39Å; I192-H311 HydrophobicContact CG2-CB 4.11Å; N219-H311 PolarHBondContact ND2-NE2 2.92Å; M307-H311 PolarHBondContact O-CE1 2.95Å; M307-H311 VanDerWaalsContact O-CE1 3.3Å; M307-H311 PolarHBondContact O-ND1 3.29Å; F308-H311 PolarHBondContact O-ND1 3.08Å; H311-T314 PolarHBondContact O-OG1 3.44Å; H311-S315 WeakPolarHBondContact O-CB 3.06Å; H311-S315 PolarHBondContact O-N 3.41Å; H311-S315 PolarHBondContact O-OG 3.1Å
312D87.5Confident88.1Confident3 Ų36.7 Ų6.72%0.0164%0.037CC..Hα-helixtrans-75.3-36.6-170.4-16434.3000111.4Y181 H223 S315 T316 I487 R489Y181-D312 PolarHBondContact OH-OD1 3.48Å; H223-D312 IonicContact NE2-OD2 3.75Å; D312-S315 PolarHBondContact O-OG 3.23Å; D312-T316 VanDerWaalsContact O-CB 3.29Å; D312-T316 WeakPolarHBondContact O-CB 3.5Å; D312-T316 PolarHBondContact O-N 2.89Å; D312-T316 PolarHBondContact O-OG1 2.81Å; D312-I487 WeakPolarHBondContact OD2-CG1 3.42Å; D312-R489 IonicContact OD1-CZ 3.98Å; D312-R489 IonicContact OD1-NE 3.07Å; D312-R489 IonicContact OD1-NH2 3.91Å; D312-R489 PolarHBondContact OD1-NH2 3.01Å; D312-R489 IonicContact OD2-CZ 2.7Å; D312-R489 IonicContact OD2-NH2 3.94Å; D312-R489 PolarHBondContact OD2-NH2 3.4Å
313T92.9Very high89Confident36 Ų366.7 Ų6.722%0.2214%0.037CC..Hα-helixtrans-70.8-45.9180640000112.3E309 A317 S374 V375 I487E309-T313 WeakPolarHBondContact O-CG2 3.39Å; E309-T313 PolarHBondContact O-OG1 2.8Å; T313-A317 PolarHBondContact O-N 3.09Å; T313-A317 VanDerWaalsContact O-N 3.13Å; T313-S374 WeakPolarHBondContact O-CB 3.24Å; T313-S374 PolarHBondContact O-OG 2.91Å; T313-V375 HydrophobicContact CG2-CG2 4.33Å; T313-I487 HydrophobicContact CG2-CD1 3.77Å
314T95.5Very high90.1Very high4 Ų46.6 Ų6.63%0.0254%0.037CC..Hα-helixtrans-74.8-40.9-177.457.90000111.4G310 H311 T316 A317 M318 A454 E457G310-T314 PolarHBondContact O-OG1 2.89Å; H311-T314 PolarHBondContact O-OG1 3.44Å; T314-T316 VanDerWaalsContact C-N 3.33Å; T314-T316 PolarHBondContact O-N 3.21Å; T314-A317 WeakPolarHBondContact O-CB 3Å; T314-A317 PolarHBondContact O-N 2.88Å; T314-M318 WeakPolarHBondContact O-CG 3.49Å; T314-M318 PolarHBondContact O-N 2.64Å; T314-A454 HydrophobicContact CG2-CB 3.72Å; T314-E457 WeakPolarHBondContact CB-OE2 3.43Å; T314-E457 WeakPolarHBondContact CG2-OE2 2.98Å; T314-E457 PolarHBondContact OG1-OE2 3.08Å
315S94.9Very high91.2Very high0 Ų06.3 Ų6.30%04%0.035CC..Hα-helixtrans-64.8-36.3174.966.40000113.1T185 H311 D312 N319T185-S315 VanDerWaalsContact CA-CB 3.47Å; T185-S315 VanDerWaalsContact OG1-CB 3.3Å; T185-S315 WeakPolarHBondContact OG1-CB 3.42Å; T185-S315 PolarHBondContact OG1-OG 3.16Å; H311-S315 WeakPolarHBondContact O-CB 3.06Å; H311-S315 PolarHBondContact O-N 3.41Å; H311-S315 PolarHBondContact O-OG 3.1Å; D312-S315 PolarHBondContact O-OG 3.23Å; S315-N319 WeakPolarHBondContact O-CB 3.5Å; S315-N319 PolarHBondContact O-N 2.8Å
316T93.9Very high92.1Very high0 Ų06.6 Ų6.60%04%0.038CC..Hα-helixtrans-64.1-43.2172.1-62.80000111.7D312 T314 N319 W320 I487 L488 R489D312-T316 VanDerWaalsContact O-CB 3.29Å; D312-T316 WeakPolarHBondContact O-CB 3.5Å; D312-T316 PolarHBondContact O-N 2.89Å; D312-T316 PolarHBondContact O-OG1 2.81Å; T314-T316 VanDerWaalsContact C-N 3.33Å; T314-T316 PolarHBondContact O-N 3.21Å; T316-N319 PolarHBondContact O-N 2.97Å; T316-W320 VanDerWaalsContact O-CD1 3.27Å; T316-W320 PolarHBondContact O-N 3.42Å; T316-I487 HydrophobicContact CG2-CG2 3.86Å; T316-I487 WeakPolarHBondContact OG1-CG2 3.11Å; T316-L488 WeakPolarHBondContact CG2-O 3.44Å; T316-R489 HydrophobicContact CG2-CG 4.42Å
317A97.1Very high92.9Very high0 Ų08.1 Ų8.10%05%0.05CC..Hα-helixtrans-61.5-48.8177.300000111.7T313 T314 N319 W320 F321 L369 E458T313-A317 PolarHBondContact O-N 3.09Å; T313-A317 VanDerWaalsContact O-N 3.13Å; T314-A317 WeakPolarHBondContact O-CB 3Å; T314-A317 PolarHBondContact O-N 2.88Å; A317-N319 VanDerWaalsContact C-N 3.3Å; A317-N319 PolarHBondContact O-N 3.24Å; A317-W320 PolarHBondContact O-N 2.9Å; A317-F321 WeakPolarHBondContact O-CB 3.11Å; A317-F321 PolarHBondContact O-N 3.46Å; A317-L369 HydrophobicContact CB-CD2 3.79Å; A317-E458 WeakPolarHBondContact CB-OE1 3Å
318M98.3Very high93.9Very high0 Ų09 Ų90%06%0.057CC..Hα-helixtrans-61.6-36.7177.1-72.5-172.2-83.500112.7V184 A188 T314 F321 L322 E458 I461 L462V184-M318 HydrophobicContact CG1-CB 3.75Å; V184-M318 HydrophobicContact CG1-CE 3.55Å; V184-M318 HydrophobicContact CG1-CG 4.43Å; V184-M318 HydrophobicContact CG1-SD 3.9Å; A188-M318 HydrophobicContact CB-CE 4.39Å; T314-M318 WeakPolarHBondContact O-CG 3.49Å; T314-M318 PolarHBondContact O-N 2.64Å; M318-F321 WeakPolarHBondContact O-CB 3.43Å; M318-F321 PolarHBondContact O-N 3.15Å; M318-L322 VanDerWaalsContact O-CG 3.32Å; M318-L322 WeakPolarHBondContact O-CG 3.17Å; M318-L322 PolarHBondContact O-N 2.89Å; M318-E458 HydrophobicContact CG-CB 4.32Å; M318-E458 HydrophobicContact CG-CG 3.84Å; M318-E458 HydrophobicContact SD-CG 4.45Å; M318-I461 HydrophobicContact CE-CD1 3.62Å; M318-I461 HydrophobicContact SD-CB 3.75Å; M318-I461 HydrophobicContact SD-CD1 3.66Å; M318-I461 HydrophobicContact SD-CG1 4.32Å; M318-I461 HydrophobicContact SD-CG2 3.69Å; M318-L462 HydrophobicContact CB-CD2 4.27Å; M318-L462 HydrophobicContact CG-CD1 4.31Å; M318-L462 HydrophobicContact CG-CD2 4.23Å; M318-L462 HydrophobicContact CG-CG 4.18Å
319N96Very high94.9Very high2 Ų212.6 Ų12.61%0.0118%0.081CC..Hα-helixtrans-69.6-39.8177.7-172.564.3000112.5Y181 S315 T316 A317 F321 H323Y181-N319 HydrophobicContact CD2-CB 3.67Å; Y181-N319 HydrophobicContact CE2-CB 4.46Å; S315-N319 WeakPolarHBondContact O-CB 3.5Å; S315-N319 PolarHBondContact O-N 2.8Å; T316-N319 PolarHBondContact O-N 2.97Å; A317-N319 VanDerWaalsContact C-N 3.3Å; A317-N319 PolarHBondContact O-N 3.24Å; N319-F321 VanDerWaalsContact C-N 3.3Å; N319-H323 WeakPolarHBondContact O-CB 3.3Å; N319-H323 PolarHBondContact O-N 2.8Å
320W96.6Very high95.7Very high0 Ų017.7 Ų17.70%011%0.105CC..Hα-helixtrans-63.6-37.9170.1-79.5118.6000112.2T316 A317 H323 L324 V368 F372 V480 P482 L488 P490T316-W320 VanDerWaalsContact O-CD1 3.27Å; T316-W320 PolarHBondContact O-N 3.42Å; A317-W320 PolarHBondContact O-N 2.9Å; W320-H323 AromaticContact CE3-CD2 3.99Å; W320-H323 AromaticContact CZ3-CD2 3.96Å; W320-H323 PolarHBondContact O-N 3.14Å; W320-L324 WeakPolarHBondContact O-CB 3.36Å; W320-L324 WeakPolarHBondContact O-CG 3.31Å; W320-L324 PolarHBondContact O-N 3.3Å; W320-V368 HydrophobicContact CB-CG1 3.67Å; W320-F372 HydrophobicContact CB-CB 4.17Å; W320-F372 HydrophobicContact CB-CD2 4.17Å; W320-F372 HydrophobicContact CB-CG 4.43Å; W320-F372 HydrophobicContact CD2-CB 3.89Å; W320-F372 AromaticContact CD2-CD1 3.99Å; W320-F372 HydrophobicContact CD2-CD1 3.99Å; W320-F372 AromaticContact CD2-CD2 3.72Å; W320-F372 HydrophobicContact CD2-CD2 3.72Å; W320-F372 HydrophobicContact CD2-CE1 4.46Å; W320-F372 HydrophobicContact CD2-CE2 4.2Å; W320-F372 AromaticContact CD2-CG 3.6Å; W320-F372 HydrophobicContact CD2-CG 3.6Å; W320-F372 AromaticContact CE2-CD1 3.84Å; W320-F372 AromaticContact CE2-CG 3.84Å; W320-F372 HydrophobicContact CE3-CD1 4.14Å; W320-F372 AromaticContact CE3-CD2 3.64Å; W320-F372 HydrophobicContact CE3-CD2 3.64Å; W320-F372 HydrophobicContact CE3-CE1 4.16Å; W320-F372 AromaticContact CE3-CE2 3.63Å; W320-F372 HydrophobicContact CE3-CE2 3.63Å; W320-F372 AromaticContact CE3-CG 3.89Å; W320-F372 HydrophobicContact CE3-CG 3.89Å; W320-F372 AromaticContact CE3-CZ 3.91Å; W320-F372 HydrophobicContact CE3-CZ 3.91Å; W320-F372 HydrophobicContact CG-CB 3.64Å; W320-F372 AromaticContact CG-CD2 3.98Å; W320-F372 HydrophobicContact CG-CD2 3.98Å; W320-F372 AromaticContact CG-CG 3.86Å; W320-F372 HydrophobicContact CG-CG 3.86Å; W320-F372 HydrophobicContact CH2-CD1 4.03Å; W320-F372 AromaticContact CH2-CE1 3.79Å; W320-F372 HydrophobicContact CH2-CE1 3.79Å; W320-F372 HydrophobicContact CH2-CZ 4.12Å; W320-F372 AromaticContact CZ2-CD1 3.87Å; W320-F372 HydrophobicContact CZ2-CD1 3.87Å; W320-F372 HydrophobicContact CZ2-CE1 4.11Å; W320-F372 HydrophobicContact CZ2-CG 4.32Å; W320-F372 HydrophobicContact CZ3-CD1 4.17Å; W320-F372 HydrophobicContact CZ3-CD2 4.26Å; W320-F372 AromaticContact CZ3-CE1 3.83Å; W320-F372 HydrophobicContact CZ3-CE1 3.83Å; W320-F372 AromaticContact CZ3-CE2 3.9Å; W320-F372 HydrophobicContact CZ3-CE2 3.9Å; W320-F372 HydrophobicContact CZ3-CG 4.37Å; W320-F372 AromaticContact CZ3-CZ 3.67Å; W320-F372 HydrophobicContact CZ3-CZ 3.67Å; W320-V480 HydrophobicContact CH2-CG1 3.71Å; W320-V480 HydrophobicContact CZ3-CB 4.33Å; W320-V480 HydrophobicContact CZ3-CG1 3.67Å; W320-P482 HydrophobicContact CH2-CB 4.49Å; W320-P482 HydrophobicContact CZ2-CB 4.11Å; W320-L488 PolarHBondContact NE1-O 2.84Å; W320-P490 HydrophobicContact CD2-CG 4.32Å; W320-P490 HydrophobicContact CH2-CB 4.26Å; W320-P490 HydrophobicContact CH2-CG 4.15Å; W320-P490 HydrophobicContact CZ2-CB 4.19Å; W320-P490 HydrophobicContact CZ2-CG 3.8Å
321F98.6Very high96.3Very high1 Ų118.1 Ų18.10%0.00410%0.104CC..Hα-helixtrans-59.9-54.3176176.5-77.7000111A317 M318 N319 H323 L324 V325 I335 L361 C364 I365 V368 L462 L466A317-F321 WeakPolarHBondContact O-CB 3.11Å; A317-F321 PolarHBondContact O-N 3.46Å; M318-F321 WeakPolarHBondContact O-CB 3.43Å; M318-F321 PolarHBondContact O-N 3.15Å; N319-F321 VanDerWaalsContact C-N 3.3Å; F321-H323 VanDerWaalsContact C-N 3.27Å; F321-H323 PolarHBondContact O-N 3.29Å; F321-L324 PolarHBondContact O-N 2.73Å; F321-V325 HydrophobicContact CD1-CG2 4.08Å; F321-V325 HydrophobicContact CD2-CG2 4.46Å; F321-V325 HydrophobicContact CE1-CB 4.28Å; F321-V325 HydrophobicContact CE1-CG2 3.73Å; F321-V325 HydrophobicContact CE2-CG2 4.14Å; F321-V325 HydrophobicContact CG-CG2 4.42Å; F321-V325 HydrophobicContact CZ-CG2 3.75Å; F321-V325 WeakPolarHBondContact O-CB 3.47Å; F321-V325 WeakPolarHBondContact O-CG2 3.42Å; F321-V325 PolarHBondContact O-N 2.75Å; F321-I335 HydrophobicContact CZ-CD1 3.94Å; F321-L361 HydrophobicContact CE1-CD1 4.31Å; F321-L361 HydrophobicContact CE2-CD1 3.76Å; F321-L361 HydrophobicContact CZ-CD1 3.34Å; F321-C364 HydrophobicContact CD2-CB 4.4Å; F321-C364 HydrophobicContact CE2-CB 3.55Å; F321-C364 HydrophobicContact CZ-CB 4.27Å; F321-I365 HydrophobicContact CD2-CG1 3.8Å; F321-I365 HydrophobicContact CE2-CG1 3.77Å; F321-V368 HydrophobicContact CB-CB 4.44Å; F321-V368 HydrophobicContact CB-CG1 4.14Å; F321-V368 HydrophobicContact CB-CG2 3.9Å; F321-V368 HydrophobicContact CD2-CG2 3.85Å; F321-V368 HydrophobicContact CG-CG2 4.24Å; F321-L462 HydrophobicContact CB-CD1 4.22Å; F321-L462 HydrophobicContact CD1-CD1 3.57Å; F321-L462 HydrophobicContact CD1-CD2 3.43Å; F321-L462 VanDerWaalsContact CD1-CD2 3.43Å; F321-L462 HydrophobicContact CD1-CG 4.04Å; F321-L462 HydrophobicContact CD2-CD1 3.75Å; F321-L462 HydrophobicContact CE1-CB 4.25Å; F321-L462 HydrophobicContact CE1-CD1 3.78Å; F321-L462 HydrophobicContact CE1-CD2 3.79Å; F321-L462 HydrophobicContact CE1-CG 4.15Å; F321-L462 HydrophobicContact CE2-CD1 3.94Å; F321-L462 HydrophobicContact CG-CD1 3.57Å; F321-L462 HydrophobicContact CG-CD2 4.14Å; F321-L462 HydrophobicContact CG-CG 4.49Å; F321-L462 HydrophobicContact CZ-CD1 3.98Å; F321-L466 HydrophobicContact CE1-CD1 3.81Å; F321-L466 HydrophobicContact CZ-CD1 4.09Å
322L98.5Very high96.7Very high0 Ų018.2 Ų18.20%010%0.104CC..Hα-helixtrans-64.2-34.4-178.2-67.7169.7000111.5T180 V184 M318 G326 L462 I465 V471 M496T180-L322 HydrophobicContact CG2-CD1 3.5Å; T180-L322 VanDerWaalsContact CG2-CD1 3.5Å; V184-L322 HydrophobicContact CG2-CD1 4.26Å; M318-L322 VanDerWaalsContact O-CG 3.32Å; M318-L322 WeakPolarHBondContact O-CG 3.17Å; M318-L322 PolarHBondContact O-N 2.89Å; L322-G326 WeakPolarHBondContact O-CA 3.11Å; L322-G326 PolarHBondContact O-N 3.02Å; L322-L462 HydrophobicContact CD1-CD2 4.27Å; L322-L462 HydrophobicContact CD2-CD2 3.81Å; L322-L462 HydrophobicContact CG-CD2 3.83Å; L322-I465 HydrophobicContact CD1-CD1 3.88Å; L322-I465 HydrophobicContact CD2-CD1 4.44Å; L322-I465 HydrophobicContact CD2-CG2 3.96Å; L322-V471 HydrophobicContact CD2-CG2 4.33Å; L322-M496 HydrophobicContact CB-CE 3.71Å; L322-M496 HydrophobicContact CB-SD 3.63Å
323H97.4Very high97.3Very high1 Ų119.6 Ų19.61%0.00512%0.116CC..Hα-helixtrans-62.4-52.5172.2177.451.7000112.4N319 W320 F321 G326 C327 S473 P475 V480 V494 M496N319-H323 WeakPolarHBondContact O-CB 3.3Å; N319-H323 PolarHBondContact O-N 2.8Å; W320-H323 AromaticContact CE3-CD2 3.99Å; W320-H323 AromaticContact CZ3-CD2 3.96Å; W320-H323 PolarHBondContact O-N 3.14Å; F321-H323 VanDerWaalsContact C-N 3.27Å; F321-H323 PolarHBondContact O-N 3.29Å; H323-G326 PolarHBondContact O-N 2.91Å; H323-C327 VanDerWaalsContact CE1-SG 3.59Å; H323-C327 PolarHBondContact O-N 3.22Å; H323-C327 PolarHBondContact O-SG 3.41Å; H323-S473 PolarHBondContact CE1-OG 3.36Å; H323-S473 VanDerWaalsContact CE1-OG 3.31Å; H323-S473 PolarHBondContact ND1-OG 2.93Å; H323-P475 PolarHBondContact CE1-O 2.87Å; H323-V480 WeakPolarHBondContact CE1-CG2 3.44Å; H323-V494 HydrophobicContact CB-CG1 3.99Å; H323-M496 HydrophobicContact CB-CE 4.09Å
324L97.9Very high97.6Very high0 Ų022.5 Ų22.50%013%0.126CC..Hα-helixtrans-66.7-44.4-177-76.5177.4000112.3W320 F321 G326 C327 S328 V368 L371 F372 F420 R477W320-L324 WeakPolarHBondContact O-CB 3.36Å; W320-L324 WeakPolarHBondContact O-CG 3.31Å; W320-L324 PolarHBondContact O-N 3.3Å; F321-L324 PolarHBondContact O-N 2.73Å; L324-G326 VanDerWaalsContact C-N 3.34Å; L324-C327 PolarHBondContact O-N 3.22Å; L324-S328 WeakPolarHBondContact O-CB 3.16Å; L324-S328 PolarHBondContact O-N 3.31Å; L324-S328 PolarHBondContact O-OG 2.71Å; L324-V368 HydrophobicContact CD1-CG2 3.89Å; L324-L371 HydrophobicContact CD1-CD1 4.03Å; L324-F372 HydrophobicContact CD1-CD2 3.81Å; L324-F372 HydrophobicContact CD1-CE2 3.69Å; L324-F372 HydrophobicContact CD2-CE2 4.08Å; L324-F372 HydrophobicContact CG-CE2 4.08Å; L324-F420 HydrophobicContact CB-CD1 4.1Å; L324-F420 HydrophobicContact CB-CD2 4.49Å; L324-F420 HydrophobicContact CB-CE1 3.94Å; L324-F420 HydrophobicContact CB-CE2 4.38Å; L324-F420 HydrophobicContact CB-CG 4.39Å; L324-F420 HydrophobicContact CB-CZ 4.1Å; L324-F420 HydrophobicContact CD1-CD2 3.81Å; L324-F420 HydrophobicContact CD1-CE2 3.99Å; L324-F420 HydrophobicContact CD1-CG 4.23Å; L324-F420 HydrophobicContact CD2-CG 4.45Å; L324-R477 HydrophobicContact CD2-CG 4.03Å
325V98.6Very high97.7Very high1 Ų122.3 Ų22.31%0.00612%0.124CC..Hα-helixtrans-66.6-38.4175.7171.70000110.8F321 C327 S328 Q332 I335 F420F321-V325 HydrophobicContact CD1-CG2 4.08Å; F321-V325 HydrophobicContact CD2-CG2 4.46Å; F321-V325 HydrophobicContact CE1-CB 4.28Å; F321-V325 HydrophobicContact CE1-CG2 3.73Å; F321-V325 HydrophobicContact CE2-CG2 4.14Å; F321-V325 HydrophobicContact CG-CG2 4.42Å; F321-V325 HydrophobicContact CZ-CG2 3.75Å; F321-V325 WeakPolarHBondContact O-CB 3.47Å; F321-V325 WeakPolarHBondContact O-CG2 3.42Å; F321-V325 PolarHBondContact O-N 2.75Å; V325-C327 PolarHBondContact O-N 3.41Å; V325-S328 CarbonylContact O-C 3.54Å; V325-S328 PolarHBondContact O-N 2.76Å; V325-Q332 HydrophobicContact CG1-CB 3.6Å; V325-Q332 HydrophobicContact CG1-CG 3.51Å; V325-Q332 PolarHBondContact O-NE2 2.58Å; V325-Q332 VanDerWaalsContact O-NE2 3.17Å; V325-I335 HydrophobicContact CG1-CD1 3.99Å; V325-I335 HydrophobicContact CG2-CD1 3.88Å; V325-F420 HydrophobicContact CG2-CE1 4.46Å; V325-F420 HydrophobicContact CG2-CZ 4.41Å
326G98.1Very high97.9Very high6 Ų622.5 Ų22.56%0.06213%0.125CC..Hα-helixtrans-68.2-17.2174.400000114.5L322 H323 L324 V471 S473L322-G326 WeakPolarHBondContact O-CA 3.11Å; L322-G326 PolarHBondContact O-N 3.02Å; H323-G326 PolarHBondContact O-N 2.91Å; L324-G326 VanDerWaalsContact C-N 3.34Å; G326-V471 WeakPolarHBondContact CA-O 3.22Å; G326-S473 PolarHBondContact O-N 2.85Å
327C97.8Very high98.1Very high42 Ų4227.6 Ų27.628%0.28415%0.153SC..THydrogen-bonded Turntrans-92.6-5.6169.3-67.30000113.2H323 L324 V325 S473H323-C327 VanDerWaalsContact CE1-SG 3.59Å; H323-C327 PolarHBondContact O-N 3.22Å; H323-C327 PolarHBondContact O-SG 3.41Å; L324-C327 PolarHBondContact O-N 3.22Å; V325-C327 PolarHBondContact O-N 3.41Å; C327-S473 VanDerWaalsContact SG-CB 3.54Å
328S98.2Very high98.2Very high26 Ų2629.1 Ų29.118%0.18216%0.16CC..  trans-130.176.5-168.8-48.70000111.4L324 V325 E330 I331 Q332L324-S328 WeakPolarHBondContact O-CB 3.16Å; L324-S328 PolarHBondContact O-N 3.31Å; L324-S328 PolarHBondContact O-OG 2.71Å; V325-S328 CarbonylContact O-C 3.54Å; V325-S328 PolarHBondContact O-N 2.76Å; S328-E330 PolarHBondContact O-N 3.15Å; S328-E330 VanDerWaalsContact O-N 3.15Å; S328-I331 PolarHBondContact O-N 3.42Å; S328-I331 VanDerWaalsContact O-N 3.08Å; S328-Q332 PolarHBondContact O-N 2.82Å
329P97.8Very high98.2Very high82 Ų8229.1 Ų29.153%0.53216%0.16SC..Hα-helixtrans-54.5-37.1-175.2-27.535.4000114.2Q332 A333P329-Q332 PolarHBondContact O-N 3.03Å; P329-A333 WeakPolarHBondContact O-CB 3.44Å; P329-A333 PolarHBondContact O-N 3.07Å
330E98.4Very high98.2Very high154 Ų15431.5 Ų31.572%0.7217%0.173SC*.Hα-helixtrans-65.4-41.2179-55.8-67.3179.100112.6S328 K334S328-E330 PolarHBondContact O-N 3.15Å; S328-E330 VanDerWaalsContact O-N 3.15Å; E330-K334 PolarHBondContact O-N 2.92Å
331I98.8Very high98.3Very high21 Ų2136.6 Ų36.611%0.10821%0.208CC..Hα-helixtrans-70.3-41.5176.9-67.8171.9000109.4S328 A333 K334 I335 Y360 F420 P422S328-I331 PolarHBondContact O-N 3.42Å; S328-I331 VanDerWaalsContact O-N 3.08Å; I331-A333 VanDerWaalsContact C-N 3.33Å; I331-A333 PolarHBondContact O-N 3.1Å; I331-K334 PolarHBondContact O-N 2.84Å; I331-I335 HydrophobicContact CG2-CD1 4.19Å; I331-I335 WeakPolarHBondContact O-CG1 3.4Å; I331-I335 PolarHBondContact O-N 2.79Å; I331-I335 VanDerWaalsContact O-N 3.09Å; I331-Y360 HydrophobicContact CG2-CE1 4.2Å; I331-F420 HydrophobicContact CD1-CD1 3.45Å; I331-F420 VanDerWaalsContact CD1-CD1 3.45Å; I331-F420 HydrophobicContact CD1-CE1 3.48Å; I331-F420 VanDerWaalsContact CD1-CE1 3.48Å; I331-F420 HydrophobicContact CD1-CG 4.41Å; I331-F420 HydrophobicContact CD1-CZ 4.45Å; I331-F420 HydrophobicContact CG2-CE1 4.08Å; I331-P422 HydrophobicContact CD1-CG 3.95Å; I331-P422 HydrophobicContact CG1-CG 4.38Å; I331-P422 HydrophobicContact CG2-CG 3.93Å
332Q98.8Very high98.3Very high4 Ų438.2 Ų38.22%0.01922%0.216CC..Hα-helixtrans-62.3-40.6177.1-164.3177.1154.800112V325 S328 P329 K334 I335 H336 L466 R470 V471V325-Q332 HydrophobicContact CG1-CB 3.6Å; V325-Q332 HydrophobicContact CG1-CG 3.51Å; V325-Q332 PolarHBondContact O-NE2 2.58Å; V325-Q332 VanDerWaalsContact O-NE2 3.17Å; S328-Q332 PolarHBondContact O-N 2.82Å; P329-Q332 PolarHBondContact O-N 3.03Å; Q332-K334 PolarHBondContact O-N 3.15Å; Q332-I335 PolarHBondContact O-N 3.05Å; Q332-H336 PolarHBondContact O-N 3.45Å; Q332-H336 PolarHBondContact OE1-CE1 2.96Å; Q332-L466 HydrophobicContact CG-CD2 4.39Å; Q332-R470 VanDerWaalsContact OE1-CA 3.3Å; Q332-V471 PolarHBondContact NE2-O 3.38Å; Q332-V471 PolarHBondContact OE1-O 3.17Å
333A98.7Very high98.2Very high32 Ų3238.8 Ų38.826%0.26422%0.219SC..Hα-helixtrans-59-45.817500000111.6P329 I331 I335 H336 D337P329-A333 WeakPolarHBondContact O-CB 3.44Å; P329-A333 PolarHBondContact O-N 3.07Å; I331-A333 VanDerWaalsContact C-N 3.33Å; I331-A333 PolarHBondContact O-N 3.1Å; A333-I335 VanDerWaalsContact C-N 3.3Å; A333-I335 PolarHBondContact O-N 3.21Å; A333-H336 CarbonylContact O-C 3.54Å; A333-H336 WeakPolarHBondContact O-CB 3.25Å; A333-H336 PolarHBondContact O-N 3.33Å; A333-H336 VanDerWaalsContact O-N 3.1Å; A333-D337 VanDerWaalsContact O-CG 3.24Å; A333-D337 PolarHBondContact O-N 3.45Å
334K98.8Very high98Very high96 Ų9640.3 Ų40.342%0.41724%0.235SC..Hα-helixtrans-61.3-35.5174.9-69.9175.4178.2-178.20113.4E330 I331 Q332 E338 Y360E330-K334 PolarHBondContact O-N 2.92Å; I331-K334 PolarHBondContact O-N 2.84Å; Q332-K334 PolarHBondContact O-N 3.15Å; K334-E338 PolarHBondContact O-N 3.18Å; K334-E338 VanDerWaalsContact O-N 3.1Å; K334-Y360 HydrophobicContact CB-CD1 3.73Å; K334-Y360 HydrophobicContact CB-CE1 3.34Å; K334-Y360 HydrophobicContact CD-CE1 3.85Å; K334-Y360 HydrophobicContact CD-CE2 4.25Å; K334-Y360 WeakPolarHBondContact CD-OH 3.28Å; K334-Y360 HydrophobicContact CG-CE1 4.27Å
335I98.8Very high97.4Very high0 Ų047.5 Ų47.50%027%0.274CS..Hα-helixtrans-67.8-43.3174.1-61.9161.7000110F321 V325 I331 Q332 A333 E338 L339 Y360 L361 C364 L466F321-I335 HydrophobicContact CZ-CD1 3.94Å; V325-I335 HydrophobicContact CG1-CD1 3.99Å; V325-I335 HydrophobicContact CG2-CD1 3.88Å; I331-I335 HydrophobicContact CG2-CD1 4.19Å; I331-I335 WeakPolarHBondContact O-CG1 3.4Å; I331-I335 PolarHBondContact O-N 2.79Å; I331-I335 VanDerWaalsContact O-N 3.09Å; Q332-I335 PolarHBondContact O-N 3.05Å; A333-I335 VanDerWaalsContact C-N 3.3Å; A333-I335 PolarHBondContact O-N 3.21Å; I335-E338 PolarHBondContact O-N 2.74Å; I335-L339 HydrophobicContact CG2-CD1 3.8Å; I335-L339 HydrophobicContact CG2-CG 4.18Å; I335-L339 VanDerWaalsContact O-CG 3.29Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 3.09Å; I335-Y360 HydrophobicContact CG1-CD1 3.84Å; I335-Y360 HydrophobicContact CG1-CE1 4.1Å; I335-L361 HydrophobicContact CG2-CB 4.49Å; I335-L361 HydrophobicContact CG2-CD1 4.17Å; I335-C364 HydrophobicContact CD1-CB 4.28Å; I335-L466 HydrophobicContact CB-CD1 4.35Å; I335-L466 HydrophobicContact CD1-CD1 4.17Å; I335-L466 HydrophobicContact CG2-CD1 3.56Å
336H98.5Very high97Very high4 Ų451.1 Ų51.12%0.01929%0.293CS..Hα-helixtrans-59.9-46.4174.9-66.2166000111.4Q332 A333 E338 L339 D340 L466 R501Q332-H336 PolarHBondContact O-N 3.45Å; Q332-H336 PolarHBondContact OE1-CE1 2.96Å; A333-H336 CarbonylContact O-C 3.54Å; A333-H336 WeakPolarHBondContact O-CB 3.25Å; A333-H336 PolarHBondContact O-N 3.33Å; A333-H336 VanDerWaalsContact O-N 3.1Å; H336-E338 VanDerWaalsContact C-N 3.29Å; H336-E338 PolarHBondContact O-N 3Å; H336-L339 PolarHBondContact O-N 3.39Å; H336-L339 VanDerWaalsContact O-N 3.14Å; H336-D340 VanDerWaalsContact O-CB 3.29Å; H336-D340 WeakPolarHBondContact O-CB 3.46Å; H336-D340 PolarHBondContact O-N 3.17Å; H336-L466 PolarHBondContact CD2-O 2.96Å; H336-L466 VanDerWaalsContact CD2-O 3.22Å; H336-L466 PolarHBondContact NE2-O 3.38Å; H336-R501 WeakPolarHBondContact CE1-CD 3.36Å; H336-R501 VanDerWaalsContact CG-CZ 3.43Å; H336-R501 PolarHBondContact ND1-NE 3.41Å
337D98.5Very high96.5Very high107 Ų10753.3 Ų53.357%0.57230%0.303SS*.Hα-helixtrans-58.5-40.6177.2-62.7-20.6000111.8A333 S341A333-D337 VanDerWaalsContact O-CG 3.24Å; A333-D337 PolarHBondContact O-N 3.45Å; D337-S341 VanDerWaalsContact O-CB 3.24Å; D337-S341 WeakPolarHBondContact O-CB 3.04Å; D337-S341 PolarHBondContact O-N 3.35Å
338E98.5Very high96.4Very high32 Ų3254.9 Ų54.915%0.1530%0.303CS..Hα-helixtrans-64.3-47174.6175.8171.582.900112K334 I335 H336 S341 I342 M358 T359 Y360 L361K334-E338 PolarHBondContact O-N 3.18Å; K334-E338 VanDerWaalsContact O-N 3.1Å; I335-E338 PolarHBondContact O-N 2.74Å; H336-E338 VanDerWaalsContact C-N 3.29Å; H336-E338 PolarHBondContact O-N 3Å; E338-S341 WeakPolarHBondContact O-CB 3.12Å; E338-S341 PolarHBondContact O-N 2.99Å; E338-I342 HydrophobicContact CG-CD1 3.95Å; E338-I342 WeakPolarHBondContact O-CD1 3.27Å; E338-I342 VanDerWaalsContact O-CG1 3.3Å; E338-I342 WeakPolarHBondContact O-CG1 3.23Å; E338-I342 PolarHBondContact O-N 3.31Å; E338-M358 WeakPolarHBondContact OE1-CA 3.39Å; E338-T359 PolarHBondContact OE1-N 3.05Å; E338-T359 PolarHBondContact OE2-N 3.32Å; E338-Y360 VanDerWaalsContact CD-N 3.32Å; E338-Y360 PolarHBondContact OE1-N 2.79Å; E338-Y360 VanDerWaalsContact OE1-N 3.15Å; E338-Y360 WeakPolarHBondContact OE2-CB 3.48Å; E338-Y360 PolarHBondContact OE2-N 3.13Å; E338-L361 WeakPolarHBondContact OE1-CB 3.32Å; E338-L361 PolarHBondContact OE1-N 2.96Å
339L98.5Very high96.3Very high0 Ų056 Ų560%031%0.307CS..Hα-helixtrans-68.8-42.8-178.5-66.8175.3000111.4I335 H336 S341 I342 F343 M358 L361 L466 R467I335-L339 HydrophobicContact CG2-CD1 3.8Å; I335-L339 HydrophobicContact CG2-CG 4.18Å; I335-L339 VanDerWaalsContact O-CG 3.29Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 3.09Å; H336-L339 PolarHBondContact O-N 3.39Å; H336-L339 VanDerWaalsContact O-N 3.14Å; L339-S341 PolarHBondContact O-N 3.1Å; L339-I342 PolarHBondContact O-N 3.21Å; L339-I342 VanDerWaalsContact O-N 3.08Å; L339-F343 HydrophobicContact CD2-CD2 4.49Å; L339-F343 HydrophobicContact CD2-CE2 4.1Å; L339-F343 VanDerWaalsContact O-CD2 3.29Å; L339-F343 WeakPolarHBondContact O-CD2 3.16Å; L339-F343 PolarHBondContact O-N 2.69Å; L339-M358 HydrophobicContact CD2-CE 4.39Å; L339-M358 HydrophobicContact CD2-CG 4.26Å; L339-L361 HydrophobicContact CD2-CD2 4.47Å; L339-L466 HydrophobicContact CD1-CB 3.74Å; L339-R467 HydrophobicContact CB-CG 4.07Å; L339-R467 HydrophobicContact CD1-CG 4.21Å
340D97.4Very high96.2Very high53 Ų5352.1 Ų52.128%0.28328%0.282SS..Hα-helixtrans-63.7-33.1176.9-62.4-2.3000110.8H336 I342 G344 R501H336-D340 VanDerWaalsContact O-CB 3.29Å; H336-D340 WeakPolarHBondContact O-CB 3.46Å; H336-D340 PolarHBondContact O-N 3.17Å; D340-I342 VanDerWaalsContact C-N 3.35Å; D340-G344 WeakPolarHBondContact O-CA 3.4Å; D340-G344 PolarHBondContact O-N 2.87Å; D340-R501 IonicContact OD1-CZ 2.79Å; D340-R501 IonicContact OD1-NH1 3.8Å; D340-R501 PolarHBondContact OD1-NH1 2.85Å; D340-R501 VanDerWaalsContact OD1-NH1 3.12Å; D340-R501 IonicContact OD1-NH2 2.82Å; D340-R501 PolarHBondContact OD1-NH2 3.47Å; D340-R501 IonicContact OD2-CZ 3.69Å; D340-R501 IonicContact OD2-NH2 3.36Å; D340-R501 PolarHBondContact OD2-NH2 3.31Å
341S98.1Very high96.2Very high106 Ų10647.9 Ų47.974%0.74127%0.267SS*.Hα-helixtrans-67.3-32.2173.2-177.40000113.3D337 E338 L339D337-S341 VanDerWaalsContact O-CB 3.24Å; D337-S341 WeakPolarHBondContact O-CB 3.04Å; D337-S341 PolarHBondContact O-N 3.35Å; E338-S341 WeakPolarHBondContact O-CB 3.12Å; E338-S341 PolarHBondContact O-N 2.99Å; L339-S341 PolarHBondContact O-N 3.1Å
342I98.2Very high95.8Very high35 Ų3548.5 Ų48.518%0.17927%0.269CS..Hα-helixtrans-84.1-40.9-178.9-66.2164.7000111.8E338 L339 D340 D354 A357 M358E338-I342 HydrophobicContact CG-CD1 3.95Å; E338-I342 WeakPolarHBondContact O-CD1 3.27Å; E338-I342 VanDerWaalsContact O-CG1 3.3Å; E338-I342 WeakPolarHBondContact O-CG1 3.23Å; E338-I342 PolarHBondContact O-N 3.31Å; L339-I342 PolarHBondContact O-N 3.21Å; L339-I342 VanDerWaalsContact O-N 3.08Å; D340-I342 VanDerWaalsContact C-N 3.35Å; I342-D354 HydrophobicContact CG2-CB 3.91Å; I342-A357 HydrophobicContact CD1-CB 3.76Å; I342-A357 HydrophobicContact CG1-CB 3.99Å; I342-M358 HydrophobicContact CD1-CG 3.89Å
343F96.6Very high95.6Very high12 Ų1253.7 Ų53.75%0.05329%0.293CS..Hα-helixtrans-108.9-21.3-170.6-63.2-84.7000113.6L339 D345 D346 R348 A350 D354 M358 R467L339-F343 HydrophobicContact CD2-CD2 4.49Å; L339-F343 HydrophobicContact CD2-CE2 4.1Å; L339-F343 VanDerWaalsContact O-CD2 3.29Å; L339-F343 WeakPolarHBondContact O-CD2 3.16Å; L339-F343 PolarHBondContact O-N 2.69Å; F343-D345 PolarHBondContact O-N 2.97Å; F343-D346 WeakPolarHBondContact O-CB 3.49Å; F343-D346 PolarHBondContact O-N 3.34Å; F343-R348 HydrophobicContact CD1-CG 4.35Å; F343-A350 HydrophobicContact CE1-CB 4.39Å; F343-A350 HydrophobicContact CZ-CB 4.06Å; F343-D354 HydrophobicContact CE1-CB 4.4Å; F343-D354 HydrophobicContact CZ-CB 3.94Å; F343-M358 HydrophobicContact CE2-CE 3.68Å; F343-M358 HydrophobicContact CZ-CE 3.6Å; F343-R467 VanDerWaalsContact CD1-NH1 3.26Å; F343-R467 HydrophobicContact CD2-CG 4.37Å
344G92.7Very high95.6Very high33 Ų3353 Ų5334%0.3428%0.284SS..THydrogen-bonded Turntrans57.3-130.2-168.200000110.8D340 Q502D340-G344 WeakPolarHBondContact O-CA 3.4Å; D340-G344 PolarHBondContact O-N 2.87Å; G344-Q502 PolarHBondContact O-NE2 3.03Å
345D86.1Confident95.5Very high152 Ų15248.7 Ų48.781%0.81327%0.266SS*.THydrogen-bonded Turntrans-9610.5174.6-62-43.7000113.1F343 Q502F343-D345 PolarHBondContact O-N 2.97Å; D345-Q502 PolarHBondContact OD1-NE2 3.02Å
346D89Confident95.4Very high76 Ų7653.8 Ų53.841%0.40629%0.288SS..  trans-81.5127.8-178.6-167.2-14.7000111.6F343 R348F343-D346 WeakPolarHBondContact O-CB 3.49Å; F343-D346 PolarHBondContact O-N 3.34Å; D346-R348 VanDerWaalsContact C-N 3.29Å; D346-R348 HydrophobicContact CB-CG 4.29Å; D346-R348 PolarHBondContact O-N 3.35Å; D346-R348 VanDerWaalsContact OD1-CB 3.28Å; D346-R348 WeakPolarHBondContact OD1-CB 3.17Å; D346-R348 PolarHBondContact OD1-N 3.19Å; D346-R348 VanDerWaalsContact OD2-CD 3.28Å; D346-R348 WeakPolarHBondContact OD2-CD 3.49Å; D346-R348 WeakPolarHBondContact OD2-CG 3.17Å; D346-R348 IonicContact OD2-NE 2.74Å
347D88.5Confident95.3Very high52 Ų5256 Ų5628%0.27831%0.307SS..  trans-88.79.3178.376.8-22.9000113.8W464 F468 S505D347-W464 WeakPolarHBondContact O-CH2 3.21Å; D347-F468 HydrophobicContact CB-CE1 4.03Å; D347-F468 HydrophobicContact CB-CZ 3.66Å; D347-S505 WeakPolarHBondContact OD2-CB 3.36Å; D347-S505 PolarHBondContact OD2-OG 3.26Å
348R94.7Very high95.3Very high76 Ų7650.9 Ų50.929%0.28728%0.28SS..PPolyproline II helixtrans-53.8162.9177.368.5173.2-178.182.2-3.5114.1F343 D346 D354 R467F343-R348 HydrophobicContact CD1-CG 4.35Å; D346-R348 VanDerWaalsContact C-N 3.29Å; D346-R348 HydrophobicContact CB-CG 4.29Å; D346-R348 PolarHBondContact O-N 3.35Å; D346-R348 VanDerWaalsContact OD1-CB 3.28Å; D346-R348 WeakPolarHBondContact OD1-CB 3.17Å; D346-R348 PolarHBondContact OD1-N 3.19Å; D346-R348 VanDerWaalsContact OD2-CD 3.28Å; D346-R348 WeakPolarHBondContact OD2-CD 3.49Å; D346-R348 WeakPolarHBondContact OD2-CG 3.17Å; D346-R348 IonicContact OD2-NE 2.74Å; R348-D354 IonicContact CZ-OD1 3.5Å; R348-D354 IonicContact CZ-OD2 3.6Å; R348-D354 IonicContact NH1-OD1 2.68Å; R348-D354 IonicContact NH1-OD2 3.83Å; R348-D354 PolarHBondContact NH1-OD2 2.93Å; R348-D354 IonicContact NH2-OD1 3.41Å; R348-D354 PolarHBondContact NH2-OD1 3.28Å; R348-D354 IonicContact NH2-OD2 3.65Å; R348-D354 PolarHBondContact NH2-OD2 2.72Å; R348-R467 PolarHBondContact O-NH1 3.34Å; R348-R467 PolarHBondContact O-NH2 3.49Å
349D96.3Very high95.3Very high49 Ų4952.5 Ų52.526%0.26229%0.292SS..PPolyproline II helixtrans-61.2144.4172.4-78.9-33.9000112.8N157 R161 T351 W464N157-D349 HydrophobicContact CB-CB 4.3Å; N157-D349 WeakPolarHBondContact CB-OD1 3.07Å; N157-D349 VanDerWaalsContact CG-OD1 3.28Å; N157-D349 PolarHBondContact OD1-OD1 3.18Å; R161-D349 VanDerWaalsContact CZ-CG 3.5Å; R161-D349 IonicContact CZ-OD1 3.36Å; R161-D349 IonicContact CZ-OD2 3.26Å; R161-D349 IonicContact NE-OD1 2.64Å; R161-D349 VanDerWaalsContact NH1-CG 3.28Å; R161-D349 IonicContact NH1-OD1 3.62Å; R161-D349 PolarHBondContact NH1-OD1 3.5Å; R161-D349 IonicContact NH1-OD2 3.43Å; R161-D349 PolarHBondContact NH1-OD2 2.92Å; R161-D349 IonicContact NH2-OD1 2.65Å; R161-D349 PolarHBondContact NH2-OD1 3.43Å; R161-D349 IonicContact NH2-OD2 3.85Å; R161-D349 PolarHBondContact NH2-OD2 2.92Å; D349-T351 PolarHBondContact O-N 3.15Å; D349-W464 VanDerWaalsContact OD1-CZ2 3.29Å; D349-W464 WeakPolarHBondContact OD1-CZ2 3.17Å
350A97.3Very high95.3Very high1 Ų153.6 Ų53.61%0.00830%0.296CS..PPolyproline II helixtrans-68.7118.8166.900000108.4V153 N157 F343 L355 M358V153-A350 WeakPolarHBondContact CG1-O 3.49Å; N157-A350 PolarHBondContact ND2-O 3.04Å; N157-A350 PolarHBondContact OD1-N 3.42Å; F343-A350 HydrophobicContact CE1-CB 4.39Å; F343-A350 HydrophobicContact CZ-CB 4.06Å; A350-L355 HydrophobicContact CB-CD2 4.28Å; A350-M358 HydrophobicContact CB-CE 4.14Å
351T96.7Very high95.3Very high65 Ų6551.1 Ų51.140%0.39928%0.283SS..PPolyproline II helixtrans-86163.4172.872.20000110.1D349 E353 D354 L355D349-T351 PolarHBondContact O-N 3.15Å; T351-E353 PolarHBondContact O-N 3.16Å; T351-E353 PolarHBondContact OG1-N 3.36Å; T351-D354 WeakPolarHBondContact CA-OD2 3.47Å; T351-D354 VanDerWaalsContact CB-OD2 3.29Å; T351-D354 WeakPolarHBondContact CB-OD2 3.28Å; T351-D354 WeakPolarHBondContact CG2-OD2 3.16Å; T351-D354 PolarHBondContact N-OD2 3.04Å; T351-D354 WeakPolarHBondContact O-CB 3.2Å; T351-D354 PolarHBondContact O-N 3.33Å; T351-D354 VanDerWaalsContact O-N 3.11Å; T351-D354 VanDerWaalsContact OG1-CG 3.23Å; T351-D354 PolarHBondContact OG1-N 2.8Å; T351-D354 PolarHBondContact OG1-OD2 2.7Å; T351-L355 WeakPolarHBondContact O-CG 3.49Å; T351-L355 PolarHBondContact O-N 3.46Å; T351-L355 VanDerWaalsContact O-N 3.17Å
352F91.9Very high95.4Very high34 Ų3448.8 Ų48.815%0.14926%0.26CS..Hα-helixtrans-58-32.6176.2-162.1-77.7000113.2Y146 K150 V153 L355 K356 I456Y146-F352 HydrophobicContact CD2-CE1 4.01Å; Y146-F352 HydrophobicContact CD2-CE2 4.17Å; Y146-F352 AromaticContact CD2-CZ 3.53Å; Y146-F352 HydrophobicContact CD2-CZ 3.53Å; Y146-F352 AromaticContact CE2-CD1 3.88Å; Y146-F352 HydrophobicContact CE2-CD1 3.88Å; Y146-F352 AromaticContact CE2-CE1 3.06Å; Y146-F352 HydrophobicContact CE2-CE1 3.06Å; Y146-F352 AromaticContact CE2-CE2 3.94Å; Y146-F352 HydrophobicContact CE2-CE2 3.94Å; Y146-F352 AromaticContact CE2-CZ 3.07Å; Y146-F352 HydrophobicContact CE2-CZ 3.07Å; Y146-F352 AromaticContact CZ-CE1 3.67Å; Y146-F352 WeakPolarHBondContact OH-CE1 3.4Å; K150-F352 HydrophobicContact CB-CD2 4.3Å; K150-F352 HydrophobicContact CG-CB 4.29Å; K150-F352 HydrophobicContact CG-CD2 3.56Å; K150-F352 HydrophobicContact CG-CE2 4.06Å; K150-F352 HydrophobicContact CG-CG 3.82Å; V153-F352 HydrophobicContact CG2-CD2 3.97Å; F352-L355 WeakPolarHBondContact O-CB 3.38Å; F352-L355 PolarHBondContact O-N 3.04Å; F352-K356 HydrophobicContact CE1-CG 4.39Å; F352-K356 PolarHBondContact O-N 3.45Å; F352-I456 HydrophobicContact CE2-CD1 3.79Å; F352-I456 HydrophobicContact CE2-CG1 4.46Å; F352-I456 HydrophobicContact CZ-CD1 4.31Å
353E93.8Very high95.4Very high112 Ų11247.3 Ų47.352%0.52325%0.253SS..Hα-helixtrans-71.7-37.6176.7-65.1-54.413600112T351 L355 K356 A357T351-E353 PolarHBondContact O-N 3.16Å; T351-E353 PolarHBondContact OG1-N 3.36Å; E353-L355 PolarHBondContact O-N 3.07Å; E353-K356 WeakPolarHBondContact O-CB 3.41Å; E353-K356 PolarHBondContact O-N 3.04Å; E353-K356 IonicContact OE1-NZ 2.9Å; E353-K356 PolarHBondContact OE1-NZ 3.4Å; E353-K356 WeakPolarHBondContact OE2-CD 3.43Å; E353-K356 WeakPolarHBondContact OE2-CE 3.49Å; E353-K356 IonicContact OE2-NZ 3.01Å; E353-K356 PolarHBondContact OE2-NZ 2.88Å; E353-A357 PolarHBondContact O-N 3.33Å
354D98.1Very high95.5Very high17 Ų1746.7 Ų46.79%0.09125%0.25CS..Hα-helixtrans-59.5-39.6173.5-56.8-54.3000111I342 F343 R348 T351 K356 A357 M358I342-D354 HydrophobicContact CG2-CB 3.91Å; F343-D354 HydrophobicContact CE1-CB 4.4Å; F343-D354 HydrophobicContact CZ-CB 3.94Å; R348-D354 IonicContact CZ-OD1 3.5Å; R348-D354 IonicContact CZ-OD2 3.6Å; R348-D354 IonicContact NH1-OD1 2.68Å; R348-D354 IonicContact NH1-OD2 3.83Å; R348-D354 PolarHBondContact NH1-OD2 2.93Å; R348-D354 IonicContact NH2-OD1 3.41Å; R348-D354 PolarHBondContact NH2-OD1 3.28Å; R348-D354 IonicContact NH2-OD2 3.65Å; R348-D354 PolarHBondContact NH2-OD2 2.72Å; T351-D354 WeakPolarHBondContact CA-OD2 3.47Å; T351-D354 VanDerWaalsContact CB-OD2 3.29Å; T351-D354 WeakPolarHBondContact CB-OD2 3.28Å; T351-D354 WeakPolarHBondContact CG2-OD2 3.16Å; T351-D354 PolarHBondContact N-OD2 3.04Å; T351-D354 WeakPolarHBondContact O-CB 3.2Å; T351-D354 PolarHBondContact O-N 3.33Å; T351-D354 VanDerWaalsContact O-N 3.11Å; T351-D354 VanDerWaalsContact OG1-CG 3.23Å; T351-D354 PolarHBondContact OG1-N 2.8Å; T351-D354 PolarHBondContact OG1-OD2 2.7Å; D354-K356 PolarHBondContact O-N 3.21Å; D354-A357 WeakPolarHBondContact O-CA 3.46Å; D354-A357 WeakPolarHBondContact O-CB 3.13Å; D354-A357 PolarHBondContact O-N 3.15Å; D354-M358 HydrophobicContact CB-CE 4.27Å; D354-M358 WeakPolarHBondContact O-CG 3.31Å; D354-M358 PolarHBondContact O-N 2.87Å; D354-M358 VanDerWaalsContact O-N 3.12Å
355L97.7Very high95.8Very high7 Ų745.1 Ų45.14%0.03723%0.234CC..Hα-helixtrans-60.2-29.8176.6-58.3-177.7000112.1V153 A350 T351 F352 E353 A357 M358 I456 K459 V460V153-L355 HydrophobicContact CG2-CD1 4.06Å; A350-L355 HydrophobicContact CB-CD2 4.28Å; T351-L355 WeakPolarHBondContact O-CG 3.49Å; T351-L355 PolarHBondContact O-N 3.46Å; T351-L355 VanDerWaalsContact O-N 3.17Å; F352-L355 WeakPolarHBondContact O-CB 3.38Å; F352-L355 PolarHBondContact O-N 3.04Å; E353-L355 PolarHBondContact O-N 3.07Å; L355-A357 VanDerWaalsContact C-N 3.33Å; L355-M358 HydrophobicContact CD2-CE 3.73Å; L355-M358 HydrophobicContact CD2-SD 3.67Å; L355-I456 HydrophobicContact CD1-CB 4.46Å; L355-I456 HydrophobicContact CD1-CG2 3.58Å; L355-K459 HydrophobicContact CD2-CB 3.99Å; L355-K459 WeakPolarHBondContact O-CE 3.27Å; L355-K459 PolarHBondContact O-NZ 3.27Å; L355-V460 HydrophobicContact CD1-CG2 3.94Å; L355-V460 HydrophobicContact CD2-CG2 3.75Å; L355-V460 HydrophobicContact CG-CG2 4.43Å
356K95.4Very high96.4Very high107 Ų10740.6 Ų40.647%0.46521%0.207SC..Hα-helixtrans-72.7-29.8174.6-61.4179.3-165.1158.80112.1F352 E353 D354F352-K356 HydrophobicContact CE1-CG 4.39Å; F352-K356 PolarHBondContact O-N 3.45Å; E353-K356 WeakPolarHBondContact O-CB 3.41Å; E353-K356 PolarHBondContact O-N 3.04Å; E353-K356 IonicContact OE1-NZ 2.9Å; E353-K356 PolarHBondContact OE1-NZ 3.4Å; E353-K356 WeakPolarHBondContact OE2-CD 3.43Å; E353-K356 WeakPolarHBondContact OE2-CE 3.49Å; E353-K356 IonicContact OE2-NZ 3.01Å; E353-K356 PolarHBondContact OE2-NZ 2.88Å; D354-K356 PolarHBondContact O-N 3.21Å
357A97.6Very high96.9Very high50 Ų5037 Ų3741%0.41319%0.188SC..Hα-helixtrans-76.2-26.9178.800000113.1I342 E353 D354 L355 T359I342-A357 HydrophobicContact CD1-CB 3.76Å; I342-A357 HydrophobicContact CG1-CB 3.99Å; E353-A357 PolarHBondContact O-N 3.33Å; D354-A357 WeakPolarHBondContact O-CA 3.46Å; D354-A357 WeakPolarHBondContact O-CB 3.13Å; D354-A357 PolarHBondContact O-N 3.15Å; L355-A357 VanDerWaalsContact C-N 3.33Å; A357-T359 PolarHBondContact O-N 2.81Å; A357-T359 PolarHBondContact O-OG1 3.2Å
358M98.3Very high97.3Very high0 Ų034.5 Ų34.50%018%0.175CC..  trans-68.267.8176.7-66.6174.8-165.600113.1E338 L339 I342 F343 A350 D354 L355 L361 E362 K459E338-M358 WeakPolarHBondContact OE1-CA 3.39Å; L339-M358 HydrophobicContact CD2-CE 4.39Å; L339-M358 HydrophobicContact CD2-CG 4.26Å; I342-M358 HydrophobicContact CD1-CG 3.89Å; F343-M358 HydrophobicContact CE2-CE 3.68Å; F343-M358 HydrophobicContact CZ-CE 3.6Å; A350-M358 HydrophobicContact CB-CE 4.14Å; D354-M358 HydrophobicContact CB-CE 4.27Å; D354-M358 WeakPolarHBondContact O-CG 3.31Å; D354-M358 PolarHBondContact O-N 2.87Å; D354-M358 VanDerWaalsContact O-N 3.12Å; L355-M358 HydrophobicContact CD2-CE 3.73Å; L355-M358 HydrophobicContact CD2-SD 3.67Å; M358-L361 HydrophobicContact CB-CB 4.27Å; M358-L361 HydrophobicContact CB-CD2 4.36Å; M358-L361 HydrophobicContact CG-CD2 4.38Å; M358-L361 HydrophobicContact SD-CD2 3.86Å; M358-E362 WeakPolarHBondContact O-CB 3.42Å; M358-E362 PolarHBondContact O-N 3.41Å; M358-K459 VanDerWaalsContact CB-CE 3.44Å; M358-K459 VanDerWaalsContact O-CE 3.32Å; M358-K459 WeakPolarHBondContact O-CE 3.46Å; M358-K459 PolarHBondContact O-NZ 3.15Å; M358-K459 HydrophobicContact SD-CB 4.19Å
359T97.8Very high97.5Very high66 Ų6631.1 Ų31.141%0.40516%0.162SC..Hα-helixtrans-81.8-45.1-171.7-59.30000111.7E338 A357 E362 C363E338-T359 PolarHBondContact OE1-N 3.05Å; E338-T359 PolarHBondContact OE2-N 3.32Å; A357-T359 PolarHBondContact O-N 2.81Å; A357-T359 PolarHBondContact O-OG1 3.2Å; T359-E362 PolarHBondContact O-N 3.45Å; T359-C363 PolarHBondContact O-N 2.8Å; T359-C363 PolarHBondContact O-SG 2.92Å
360Y98.7Very high97.6Very high23 Ų2328.8 Ų28.89%0.0915%0.15CC..Hα-helixtrans-72.5-40.3-179.7-166.3-107.2000111.6I331 K334 I335 E338 E362 C363 C364 P422 D423I331-Y360 HydrophobicContact CG2-CE1 4.2Å; K334-Y360 HydrophobicContact CB-CD1 3.73Å; K334-Y360 HydrophobicContact CB-CE1 3.34Å; K334-Y360 HydrophobicContact CD-CE1 3.85Å; K334-Y360 HydrophobicContact CD-CE2 4.25Å; K334-Y360 WeakPolarHBondContact CD-OH 3.28Å; K334-Y360 HydrophobicContact CG-CE1 4.27Å; I335-Y360 HydrophobicContact CG1-CD1 3.84Å; I335-Y360 HydrophobicContact CG1-CE1 4.1Å; E338-Y360 VanDerWaalsContact CD-N 3.32Å; E338-Y360 PolarHBondContact OE1-N 2.79Å; E338-Y360 VanDerWaalsContact OE1-N 3.15Å; E338-Y360 WeakPolarHBondContact OE2-CB 3.48Å; E338-Y360 PolarHBondContact OE2-N 3.13Å; Y360-E362 VanDerWaalsContact C-N 3.27Å; Y360-E362 PolarHBondContact O-N 2.96Å; Y360-C363 WeakPolarHBondContact O-CB 3.41Å; Y360-C363 PolarHBondContact O-N 3.4Å; Y360-C363 VanDerWaalsContact O-N 3.11Å; Y360-C364 PolarHBondContact O-N 3.21Å; Y360-C364 PolarHBondContact O-SG 3.05Å; Y360-P422 HydrophobicContact CE2-CB 4.1Å; Y360-D423 WeakPolarHBondContact CE2-OD1 3.37Å
361L98.9Very high97.4Very high0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-55.5-44.5169.9176.258.8000110.9F321 I335 E338 L339 M358 C363 C364 I365 L462F321-L361 HydrophobicContact CE1-CD1 4.31Å; F321-L361 HydrophobicContact CE2-CD1 3.76Å; F321-L361 HydrophobicContact CZ-CD1 3.34Å; I335-L361 HydrophobicContact CG2-CB 4.49Å; I335-L361 HydrophobicContact CG2-CD1 4.17Å; E338-L361 WeakPolarHBondContact OE1-CB 3.32Å; E338-L361 PolarHBondContact OE1-N 2.96Å; L339-L361 HydrophobicContact CD2-CD2 4.47Å; M358-L361 HydrophobicContact CB-CB 4.27Å; M358-L361 HydrophobicContact CB-CD2 4.36Å; M358-L361 HydrophobicContact CG-CD2 4.38Å; M358-L361 HydrophobicContact SD-CD2 3.86Å; L361-C363 PolarHBondContact O-N 2.7Å; L361-C364 WeakPolarHBondContact O-CB 2.92Å; L361-C364 PolarHBondContact O-N 3.34Å; L361-I365 HydrophobicContact CD1-CD1 4.39Å; L361-I365 HydrophobicContact CG-CD1 4.2Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.93Å; L361-L462 HydrophobicContact CD1-CB 4.26Å
362E98.7Very high97.3Very high57 Ų5726.2 Ų26.227%0.26613%0.133SC..Hα-helixtrans-65.3-37.6175.9-177.6171.2140.900112.8M358 T359 Y360 C364 I365 K366 M455 K459M358-E362 WeakPolarHBondContact O-CB 3.42Å; M358-E362 PolarHBondContact O-N 3.41Å; T359-E362 PolarHBondContact O-N 3.45Å; Y360-E362 VanDerWaalsContact C-N 3.27Å; Y360-E362 PolarHBondContact O-N 2.96Å; E362-C364 VanDerWaalsContact C-N 3.29Å; E362-C364 PolarHBondContact O-N 3.33Å; E362-I365 PolarHBondContact O-N 3.28Å; E362-K366 HydrophobicContact CG-CD 4.28Å; E362-K366 WeakPolarHBondContact O-CB 3.31Å; E362-K366 WeakPolarHBondContact O-CG 3.33Å; E362-K366 PolarHBondContact O-N 2.88Å; E362-K366 WeakPolarHBondContact OE1-CE 3.25Å; E362-K366 IonicContact OE1-NZ 3.8Å; E362-K366 PolarHBondContact OE1-NZ 2.65Å; E362-M455 HydrophobicContact CG-CE 3.77Å; E362-K459 HydrophobicContact CB-CD 4.38Å; E362-K459 IonicContact OE2-NZ 3.11Å; E362-K459 PolarHBondContact OE2-NZ 2.76Å
363C98.8Very high97.4Very high4 Ų424.6 Ų24.63%0.02713%0.126CC..Hα-helixtrans-60.7-40.9172.9-680000111.4T359 Y360 L361 K366 E367 P422 F425T359-C363 PolarHBondContact O-N 2.8Å; T359-C363 PolarHBondContact O-SG 2.92Å; Y360-C363 WeakPolarHBondContact O-CB 3.41Å; Y360-C363 PolarHBondContact O-N 3.4Å; Y360-C363 VanDerWaalsContact O-N 3.11Å; L361-C363 PolarHBondContact O-N 2.7Å; C363-K366 PolarHBondContact O-N 3.11Å; C363-E367 WeakPolarHBondContact O-CB 3.41Å; C363-E367 PolarHBondContact O-N 2.88Å; C363-P422 HydrophobicContact CB-CB 4.27Å; C363-P422 WeakPolarHBondContact CB-O 3.46Å; C363-F425 HydrophobicContact CB-CB 3.98Å; C363-F425 VanDerWaalsContact SG-C 3.51Å
364C98.9Very high97.3Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-64.8-47176.2-64.60000111.5F321 I335 Y360 L361 E362 K366 E367 V368 P422F321-C364 HydrophobicContact CD2-CB 4.4Å; F321-C364 HydrophobicContact CE2-CB 3.55Å; F321-C364 HydrophobicContact CZ-CB 4.27Å; I335-C364 HydrophobicContact CD1-CB 4.28Å; Y360-C364 PolarHBondContact O-N 3.21Å; Y360-C364 PolarHBondContact O-SG 3.05Å; L361-C364 WeakPolarHBondContact O-CB 2.92Å; L361-C364 PolarHBondContact O-N 3.34Å; E362-C364 VanDerWaalsContact C-N 3.29Å; E362-C364 PolarHBondContact O-N 3.33Å; C364-K366 VanDerWaalsContact C-N 3.32Å; C364-K366 PolarHBondContact O-N 2.91Å; C364-E367 PolarHBondContact O-N 2.81Å; C364-V368 VanDerWaalsContact O-CG2 3.24Å; C364-V368 WeakPolarHBondContact O-CG2 3.17Å; C364-V368 PolarHBondContact O-N 2.79Å; C364-P422 HydrophobicContact CB-CB 4.47Å; C364-P422 HydrophobicContact CB-CG 4.36Å; C364-P422 VanDerWaalsContact SG-CB 3.59Å; C364-P422 WeakPolarHBondContact SG-CG 3.35Å
365I98.9Very high96.9Very high0 Ų021.4 Ų21.40%012%0.115CC..Hα-helixtrans-56.6-47.1174.7-69.3165.6000110.7F321 L361 E362 E367 V368 L369 M455 E458 K459 L462F321-I365 HydrophobicContact CD2-CG1 3.8Å; F321-I365 HydrophobicContact CE2-CG1 3.77Å; L361-I365 HydrophobicContact CD1-CD1 4.39Å; L361-I365 HydrophobicContact CG-CD1 4.2Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.93Å; E362-I365 PolarHBondContact O-N 3.28Å; I365-E367 VanDerWaalsContact C-N 3.32Å; I365-E367 PolarHBondContact O-N 2.91Å; I365-V368 WeakPolarHBondContact O-CB 3.25Å; I365-V368 PolarHBondContact O-N 3.39Å; I365-L369 HydrophobicContact CG2-CD1 4.05Å; I365-L369 WeakPolarHBondContact O-CG 3.4Å; I365-L369 PolarHBondContact O-N 3.03Å; I365-M455 HydrophobicContact CB-CE 4.26Å; I365-M455 HydrophobicContact CG2-CE 3.66Å; I365-M455 HydrophobicContact CG2-SD 3.93Å; I365-E458 HydrophobicContact CD1-CB 4.07Å; I365-E458 WeakPolarHBondContact CG2-OE2 3.41Å; I365-K459 HydrophobicContact CD1-CG 3.58Å; I365-L462 HydrophobicContact CD1-CD1 3.99Å; I365-L462 HydrophobicContact CG1-CD1 3.85Å
366K98.7Very high96.3Very high56 Ų5621.1 Ų21.124%0.24311%0.113CC..Hα-helixtrans-62.6-39.4179.7-75.7175.4-177.5163.90112.7E362 C363 C364 L369 R370 F425 Y438E362-K366 HydrophobicContact CG-CD 4.28Å; E362-K366 WeakPolarHBondContact O-CB 3.31Å; E362-K366 WeakPolarHBondContact O-CG 3.33Å; E362-K366 PolarHBondContact O-N 2.88Å; E362-K366 WeakPolarHBondContact OE1-CE 3.25Å; E362-K366 IonicContact OE1-NZ 3.8Å; E362-K366 PolarHBondContact OE1-NZ 2.65Å; C363-K366 PolarHBondContact O-N 3.11Å; C364-K366 VanDerWaalsContact C-N 3.32Å; C364-K366 PolarHBondContact O-N 2.91Å; K366-L369 CarbonylContact O-C 3.23Å; K366-L369 PolarHBondContact O-N 3Å; K366-R370 PolarHBondContact O-N 2.88Å; K366-F425 HydrophobicContact CB-CB 4.19Å; K366-F425 HydrophobicContact CB-CD1 3.66Å; K366-F425 HydrophobicContact CB-CD2 3.72Å; K366-F425 HydrophobicContact CB-CE1 3.89Å; K366-F425 HydrophobicContact CB-CE2 3.95Å; K366-F425 HydrophobicContact CB-CG 3.56Å; K366-F425 HydrophobicContact CB-CZ 4.02Å; K366-F425 HydrophobicContact CD-CB 4.23Å; K366-F425 HydrophobicContact CD-CD1 3.74Å; K366-F425 HydrophobicContact CD-CE1 4.37Å; K366-F425 HydrophobicContact CD-CG 4.1Å; K366-F425 HydrophobicContact CG-CD1 4.27Å; K366-F425 HydrophobicContact CG-CG 4.48Å; K366-Y438 WeakPolarHBondContact CA-OH 3.25Å; K366-Y438 WeakPolarHBondContact CB-OH 2.91Å; K366-Y438 PolarHBondContact O-OH 2.85Å
367E98.5Very high95.5Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-69.6-36.3176.7-178.868.3175.800112.3C363 C364 I365 R370 L371 F420 D421 R424 F425C363-E367 WeakPolarHBondContact O-CB 3.41Å; C363-E367 PolarHBondContact O-N 2.88Å; C364-E367 PolarHBondContact O-N 2.81Å; I365-E367 VanDerWaalsContact C-N 3.32Å; I365-E367 PolarHBondContact O-N 2.91Å; E367-R370 VanDerWaalsContact CD-NE 3.33Å; E367-R370 WeakPolarHBondContact O-CB 3.02Å; E367-R370 PolarHBondContact O-N 3.17Å; E367-R370 IonicContact OE1-CZ 2.75Å; E367-R370 IonicContact OE1-NE 3.22Å; E367-R370 PolarHBondContact OE1-NE 2.66Å; E367-R370 IonicContact OE1-NH2 3.98Å; E367-R370 PolarHBondContact OE1-NH2 3.16Å; E367-R370 WeakPolarHBondContact OE2-CD 3.41Å; E367-R370 IonicContact OE2-CZ 2.64Å; E367-R370 IonicContact OE2-NE 3.97Å; E367-R370 PolarHBondContact OE2-NE 3.04Å; E367-R370 IonicContact OE2-NH2 3.62Å; E367-L371 PolarHBondContact O-N 3.37Å; E367-F420 HydrophobicContact CB-CD2 4.27Å; E367-F420 HydrophobicContact CB-CE2 3.92Å; E367-F420 HydrophobicContact CG-CD2 3.42Å; E367-F420 VanDerWaalsContact CG-CD2 3.42Å; E367-F420 HydrophobicContact CG-CE2 3.59Å; E367-D421 PolarHBondContact OE1-N 3Å; E367-R424 IonicContact OE1-NE 2.73Å; E367-R424 PolarHBondContact OE1-NE 2.95Å; E367-F425 HydrophobicContact CB-CD2 3.97Å; E367-F425 HydrophobicContact CB-CE2 4.03Å; E367-F425 VanDerWaalsContact OE2-CE2 3.27Å; E367-F425 WeakPolarHBondContact OE2-CE2 3.45Å
368V98.6Very high94.6Very high0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-60.3-49.5170.4171.70000110.1W320 F321 L324 C364 I365 R370 L371 F372 F420W320-V368 HydrophobicContact CB-CG1 3.67Å; F321-V368 HydrophobicContact CB-CB 4.44Å; F321-V368 HydrophobicContact CB-CG1 4.14Å; F321-V368 HydrophobicContact CB-CG2 3.9Å; F321-V368 HydrophobicContact CD2-CG2 3.85Å; F321-V368 HydrophobicContact CG-CG2 4.24Å; L324-V368 HydrophobicContact CD1-CG2 3.89Å; C364-V368 VanDerWaalsContact O-CG2 3.24Å; C364-V368 WeakPolarHBondContact O-CG2 3.17Å; C364-V368 PolarHBondContact O-N 2.79Å; I365-V368 WeakPolarHBondContact O-CB 3.25Å; I365-V368 PolarHBondContact O-N 3.39Å; V368-R370 PolarHBondContact O-N 2.8Å; V368-L371 PolarHBondContact O-N 3.48Å; V368-F372 CarbonylContact O-C 3.48Å; V368-F372 WeakPolarHBondContact O-CA 3.25Å; V368-F372 PolarHBondContact O-N 2.72Å; V368-F420 HydrophobicContact CG2-CE2 3.87Å; V368-F420 HydrophobicContact CG2-CZ 4.19Å
369L98.3Very high93.3Very high5 Ų515.4 Ų15.43%0.0268%0.08CC..Hα-helixtrans-66.5-20.8176.6-69.8173.7000113.2A317 I365 K366 P373 H408 P440 F441 M455A317-L369 HydrophobicContact CB-CD2 3.79Å; I365-L369 HydrophobicContact CG2-CD1 4.05Å; I365-L369 WeakPolarHBondContact O-CG 3.4Å; I365-L369 PolarHBondContact O-N 3.03Å; K366-L369 CarbonylContact O-C 3.23Å; K366-L369 PolarHBondContact O-N 3Å; L369-P373 VanDerWaalsContact O-CA 3.32Å; L369-P373 WeakPolarHBondContact O-CA 3.38Å; L369-P373 WeakPolarHBondContact O-CB 3.38Å; L369-P373 WeakPolarHBondContact O-CD 3.26Å; L369-H408 PolarHBondContact O-ND1 2.81Å; L369-P440 HydrophobicContact CB-CB 3.83Å; L369-P440 HydrophobicContact CB-CG 4.46Å; L369-P440 HydrophobicContact CD1-CB 4.44Å; L369-F441 HydrophobicContact CD1-CE2 3.82Å; L369-F441 HydrophobicContact CD1-CZ 3.78Å; L369-M455 HydrophobicContact CD1-SD 4.23Å
370R97.4Very high92.2Very high0 Ų012.6 Ų12.60%06%0.062CC..Hα-helixtrans-69.7-55.1169.9-171.6-171.168.377.10.4110.1K366 E367 V368 H408 W414 P417 C419 F425 Y438K366-R370 PolarHBondContact O-N 2.88Å; E367-R370 VanDerWaalsContact CD-NE 3.33Å; E367-R370 WeakPolarHBondContact O-CB 3.02Å; E367-R370 PolarHBondContact O-N 3.17Å; E367-R370 IonicContact OE1-CZ 2.75Å; E367-R370 IonicContact OE1-NE 3.22Å; E367-R370 PolarHBondContact OE1-NE 2.66Å; E367-R370 IonicContact OE1-NH2 3.98Å; E367-R370 PolarHBondContact OE1-NH2 3.16Å; E367-R370 WeakPolarHBondContact OE2-CD 3.41Å; E367-R370 IonicContact OE2-CZ 2.64Å; E367-R370 IonicContact OE2-NE 3.97Å; E367-R370 PolarHBondContact OE2-NE 3.04Å; E367-R370 IonicContact OE2-NH2 3.62Å; V368-R370 PolarHBondContact O-N 2.8Å; R370-H408 WeakPolarHBondContact CA-ND1 3.35Å; R370-H408 HydrophobicContact CG-CB 3.67Å; R370-H408 PolarHBondContact NH1-O 2.97Å; R370-H408 WeakPolarHBondContact O-CB 3.1Å; R370-H408 PolarHBondContact O-ND1 3.18Å; R370-W414 VanDerWaalsContact CD-CD2 3.49Å; R370-W414 HydrophobicContact CG-CH2 4.33Å; R370-W414 HydrophobicContact CG-CZ2 4.2Å; R370-P417 VanDerWaalsContact CZ-O 3.32Å; R370-P417 PolarHBondContact NH1-O 2.73Å; R370-P417 PolarHBondContact NH2-O 2.89Å; R370-C419 PolarHBondContact NH2-O 3.27Å; R370-F425 HydrophobicContact CB-CE2 4.16Å; R370-F425 HydrophobicContact CB-CZ 4.18Å; R370-Y438 HydrophobicContact CB-CD2 4.34Å; R370-Y438 HydrophobicContact CB-CE2 3.86Å; R370-Y438 HydrophobicContact CG-CD2 4.41Å; R370-Y438 HydrophobicContact CG-CE2 4.42Å
371L94.3Very high90.9Very high0 Ų015.9 Ų15.90%07%0.074CC..Hα-helixtrans-69.5-43.2-177.6-73.7172.3000112.2L324 E367 V368 P373 R409 P417 F420L324-L371 HydrophobicContact CD1-CD1 4.03Å; E367-L371 PolarHBondContact O-N 3.37Å; V368-L371 PolarHBondContact O-N 3.48Å; L371-P373 VanDerWaalsContact C-CD 3.48Å; L371-P373 WeakPolarHBondContact O-CD 3.45Å; L371-R409 PolarHBondContact O-NH1 3.07Å; L371-R409 PolarHBondContact O-NH2 3.01Å; L371-P417 WeakPolarHBondContact CD2-O 3.33Å; L371-F420 HydrophobicContact CD1-CB 3.9Å; L371-F420 HydrophobicContact CD1-CD2 3.8Å; L371-F420 HydrophobicContact CD1-CG 4.3Å
372F94.1Very high89.5Confident13 Ų1316.4 Ų16.46%0.0578%0.077CC..SBendtrans-129.666.9-173.9-56.3-68.1000110.6W320 L324 V368 S374 P482 L488W320-F372 HydrophobicContact CB-CB 4.17Å; W320-F372 HydrophobicContact CB-CD2 4.17Å; W320-F372 HydrophobicContact CB-CG 4.43Å; W320-F372 HydrophobicContact CD2-CB 3.89Å; W320-F372 AromaticContact CD2-CD1 3.99Å; W320-F372 HydrophobicContact CD2-CD1 3.99Å; W320-F372 AromaticContact CD2-CD2 3.72Å; W320-F372 HydrophobicContact CD2-CD2 3.72Å; W320-F372 HydrophobicContact CD2-CE1 4.46Å; W320-F372 HydrophobicContact CD2-CE2 4.2Å; W320-F372 AromaticContact CD2-CG 3.6Å; W320-F372 HydrophobicContact CD2-CG 3.6Å; W320-F372 AromaticContact CE2-CD1 3.84Å; W320-F372 AromaticContact CE2-CG 3.84Å; W320-F372 HydrophobicContact CE3-CD1 4.14Å; W320-F372 AromaticContact CE3-CD2 3.64Å; W320-F372 HydrophobicContact CE3-CD2 3.64Å; W320-F372 HydrophobicContact CE3-CE1 4.16Å; W320-F372 AromaticContact CE3-CE2 3.63Å; W320-F372 HydrophobicContact CE3-CE2 3.63Å; W320-F372 AromaticContact CE3-CG 3.89Å; W320-F372 HydrophobicContact CE3-CG 3.89Å; W320-F372 AromaticContact CE3-CZ 3.91Å; W320-F372 HydrophobicContact CE3-CZ 3.91Å; W320-F372 HydrophobicContact CG-CB 3.64Å; W320-F372 AromaticContact CG-CD2 3.98Å; W320-F372 HydrophobicContact CG-CD2 3.98Å; W320-F372 AromaticContact CG-CG 3.86Å; W320-F372 HydrophobicContact CG-CG 3.86Å; W320-F372 HydrophobicContact CH2-CD1 4.03Å; W320-F372 AromaticContact CH2-CE1 3.79Å; W320-F372 HydrophobicContact CH2-CE1 3.79Å; W320-F372 HydrophobicContact CH2-CZ 4.12Å; W320-F372 AromaticContact CZ2-CD1 3.87Å; W320-F372 HydrophobicContact CZ2-CD1 3.87Å; W320-F372 HydrophobicContact CZ2-CE1 4.11Å; W320-F372 HydrophobicContact CZ2-CG 4.32Å; W320-F372 HydrophobicContact CZ3-CD1 4.17Å; W320-F372 HydrophobicContact CZ3-CD2 4.26Å; W320-F372 AromaticContact CZ3-CE1 3.83Å; W320-F372 HydrophobicContact CZ3-CE1 3.83Å; W320-F372 AromaticContact CZ3-CE2 3.9Å; W320-F372 HydrophobicContact CZ3-CE2 3.9Å; W320-F372 HydrophobicContact CZ3-CG 4.37Å; W320-F372 AromaticContact CZ3-CZ 3.67Å; W320-F372 HydrophobicContact CZ3-CZ 3.67Å; L324-F372 HydrophobicContact CD1-CD2 3.81Å; L324-F372 HydrophobicContact CD1-CE2 3.69Å; L324-F372 HydrophobicContact CD2-CE2 4.08Å; L324-F372 HydrophobicContact CG-CE2 4.08Å; V368-F372 CarbonylContact O-C 3.48Å; V368-F372 WeakPolarHBondContact O-CA 3.25Å; V368-F372 PolarHBondContact O-N 2.72Å; F372-S374 PolarHBondContact O-N 3.37Å; F372-P482 HydrophobicContact CD1-CB 4.41Å; F372-P482 HydrophobicContact CE1-CB 4.45Å; F372-P482 HydrophobicContact CE1-CG 4.28Å; F372-L488 HydrophobicContact CB-CD2 4.08Å; F372-L488 HydrophobicContact CD1-CD2 4.05Å
373P93.8Very high88.3Confident0 Ų016.1 Ų16.10%08%0.077CC..  trans-61.3124.2174.425.3-32.6000109.3L369 L371 V375 P404 Y405 L488L369-P373 VanDerWaalsContact O-CA 3.32Å; L369-P373 WeakPolarHBondContact O-CA 3.38Å; L369-P373 WeakPolarHBondContact O-CB 3.38Å; L369-P373 WeakPolarHBondContact O-CD 3.26Å; L371-P373 VanDerWaalsContact C-CD 3.48Å; L371-P373 WeakPolarHBondContact O-CD 3.45Å; P373-V375 PolarHBondContact O-N 3.19Å; P373-P404 HydrophobicContact CB-CB 4.09Å; P373-P404 HydrophobicContact CG-CB 4.03Å; P373-Y405 HydrophobicContact CG-CD2 4.49Å; P373-L488 WeakPolarHBondContact O-CB 3.48Å
374S93Very high87.1Confident10 Ų1023.4 Ų23.47%0.0711%0.111CC..SBendtrans-54.7-39.1-177-58.10000112.1T313 F372 P376 I487 L488T313-S374 WeakPolarHBondContact O-CB 3.24Å; T313-S374 PolarHBondContact O-OG 2.91Å; F372-S374 PolarHBondContact O-N 3.37Å; S374-P376 VanDerWaalsContact O-CD 3.28Å; S374-P376 WeakPolarHBondContact O-CD 3.37Å; S374-I487 CarbonylContact O-C 3.35Å; S374-I487 VanDerWaalsContact O-CA 3.22Å; S374-I487 WeakPolarHBondContact O-CA 3.28Å; S374-L488 PolarHBondContact O-N 2.89Å
375V89.6Confident86Confident52 Ų5227 Ų2732%0.31514%0.136SC..SBendtrans-101.797170-177.50000109T313 P373 I377 I487T313-V375 HydrophobicContact CG2-CG2 4.33Å; P373-V375 PolarHBondContact O-N 3.19Å; V375-I377 VanDerWaalsContact C-N 3.34Å; V375-I377 PolarHBondContact O-N 3.04Å; V375-I487 HydrophobicContact CG2-CD1 4.09Å
376P84Confident84.5Confident0 Ų028.5 Ų28.50%014%0.142CC..  trans-79-17.9-170.431.6-36.8000113.8Y61 S374 C403 P404 Y405 M486 L488Y61-P376 HydrophobicContact CE2-CB 4.14Å; Y61-P376 HydrophobicContact CE2-CG 4.38Å; Y61-P376 VanDerWaalsContact OH-CG 3.32Å; Y61-P376 WeakPolarHBondContact OH-CG 3.32Å; S374-P376 VanDerWaalsContact O-CD 3.28Å; S374-P376 WeakPolarHBondContact O-CD 3.37Å; P376-C403 CarbonylContact O-C 3.52Å; P376-C403 WeakPolarHBondContact O-CA 3.37Å; P376-C403 PolarHBondContact O-SG 2.84Å; P376-P404 VanDerWaalsContact O-CD 3.26Å; P376-P404 WeakPolarHBondContact O-CD 3.02Å; P376-Y405 PolarHBondContact O-N 3.1Å; P376-M486 WeakPolarHBondContact CD-O 3.29Å; P376-L488 HydrophobicContact CB-CB 4.3Å; P376-L488 HydrophobicContact CB-CD1 3.92Å; P376-L488 HydrophobicContact CG-CB 4.15Å; P376-L488 HydrophobicContact CG-CD1 4.05Å
377I78.3Confident83.2Confident17 Ų1728.7 Ų28.79%0.08714%0.144CC..  trans-148.9138.9179.8-169.4169.3000110.4V375 L401 I402 C403V375-I377 VanDerWaalsContact C-N 3.34Å; V375-I377 PolarHBondContact O-N 3.04Å; I377-L401 HydrophobicContact CD1-CB 4.22Å; I377-L401 HydrophobicContact CD1-CD1 4.36Å; I377-L401 HydrophobicContact CD1-CD2 3.98Å; I377-L401 HydrophobicContact CD1-CG 4.42Å; I377-L401 HydrophobicContact CG1-CD2 4.24Å; I377-I402 WeakPolarHBondContact CA-O 3.5Å; I377-C403 HydrophobicContact CG1-CB 4.39Å
378F78.5Confident81.6Confident20 Ų2029.5 Ų29.59%0.08815%0.148CC..EExtended strand (participates in β ladder)trans-141.1157.3169.956.9-98.6000110L102 I402 P404 S442L102-F378 HydrophobicContact CD2-CE2 3.77Å; L102-F378 HydrophobicContact CD2-CZ 4.11Å; F378-I402 HydrophobicContact CD2-CB 3.96Å; F378-I402 HydrophobicContact CD2-CD1 4.31Å; F378-I402 HydrophobicContact CE1-CB 4.48Å; F378-I402 HydrophobicContact CE1-CG2 4.13Å; F378-I402 HydrophobicContact CE2-CB 3.53Å; F378-I402 HydrophobicContact CE2-CD1 3.59Å; F378-I402 HydrophobicContact CE2-CG1 4.11Å; F378-I402 HydrophobicContact CE2-CG2 3.73Å; F378-I402 HydrophobicContact CZ-CB 3.81Å; F378-I402 HydrophobicContact CZ-CD1 4.34Å; F378-I402 HydrophobicContact CZ-CG2 3.47Å; F378-I402 VanDerWaalsContact CZ-CG2 3.47Å; F378-I402 PolarHBondContact N-O 2.85Å; F378-I402 PolarHBondContact O-N 3.4Å; F378-I402 VanDerWaalsContact O-O 3.12Å; F378-P404 HydrophobicContact CD1-CG 3.88Å; F378-P404 HydrophobicContact CE1-CG 3.39Å; F378-P404 HydrophobicContact CZ-CG 4.38Å; F378-S442 WeakPolarHBondContact CE2-OG 3.19Å; F378-S442 WeakPolarHBondContact CZ-OG 3.48Å
379A72.6Confident79.8Confident1 Ų131.1 Ų31.11%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-120.2160.3-178.900000113.8D109 V400 L401D109-A379 HydrophobicContact CB-CB 3.7Å; A379-V400 CarbonylContact C-O 3.56Å; A379-V400 VanDerWaalsContact CA-O 3.25Å; A379-V400 WeakPolarHBondContact CA-O 3.43Å; A379-L401 HydrophobicContact CB-CD2 3.56Å; A379-L401 HydrophobicContact CB-CG 4.49Å
380R73.8Confident78.3Confident6 Ų638.6 Ų38.62%0.02320%0.195CC..EExtended strand (participates in β ladder)trans-133.6128.7172.4-64.3-68.8-178.7-88.20.4109.1P101 E399 V400 I402 S442 R446P101-R380 WeakPolarHBondContact O-CG 3.42Å; R380-E399 CarbonylContact O-C 3.36Å; R380-E399 WeakPolarHBondContact O-CA 3.29Å; R380-V400 PolarHBondContact N-O 3.14Å; R380-V400 PolarHBondContact O-N 2.97Å; R380-I402 HydrophobicContact CG-CD1 4.46Å; R380-S442 PolarHBondContact NH2-OG 2.93Å; R380-S442 VanDerWaalsContact NH2-OG 3.13Å; R380-R446 VanDerWaalsContact NH2-CB 3.32Å; R380-R446 PolarHBondContact NH2-O 2.96Å
381R72.4Confident77Confident93 Ų9345.5 Ų45.535%0.35123%0.227SC..EExtended strand (participates in β ladder)trans-82.6137.1167.2-166.3175-175.6175.2-2.2109.6G106 T107G106-R381 WeakPolarHBondContact CA-O 3.4Å; T107-R381 WeakPolarHBondContact O-CB 3.46Å; T107-R381 PolarHBondContact O-N 3.15Å; T107-R381 VanDerWaalsContact OG1-CB 3.28Å; T107-R381 WeakPolarHBondContact OG1-CB 3.22Å; T107-R381 WeakPolarHBondContact OG1-CD 3.19Å
382I69.5Low75.8Confident10 Ų1046.6 Ų46.65%0.05123%0.231CC..  trans-91.6111.8-176.8-59.6-50000109.2P101 E384 F386 I394 G397 S398 V400P101-I382 HydrophobicContact CB-CD1 4.13Å; I382-E384 WeakPolarHBondContact CG2-O 3.46Å; I382-F386 HydrophobicContact CB-CE1 4.49Å; I382-F386 HydrophobicContact CD1-CD1 4.49Å; I382-F386 HydrophobicContact CD1-CE1 3.63Å; I382-F386 HydrophobicContact CD1-CZ 4.41Å; I382-F386 HydrophobicContact CG1-CE1 3.89Å; I382-F386 HydrophobicContact CG2-CD1 3.68Å; I382-F386 HydrophobicContact CG2-CE1 3.77Å; I382-I394 HydrophobicContact CB-CG2 4.48Å; I382-I394 HydrophobicContact CG1-CG2 4.06Å; I382-I394 HydrophobicContact CG2-CG2 4.36Å; I382-G397 PolarHBondContact O-N 3.34Å; I382-S398 WeakPolarHBondContact CB-O 3.42Å; I382-S398 WeakPolarHBondContact CG1-O 2.9Å; I382-S398 PolarHBondContact N-O 3.43Å; I382-V400 HydrophobicContact CD1-CB 4.37Å; I382-V400 HydrophobicContact CD1-CG2 3.8Å; I382-V400 HydrophobicContact CG1-CG2 3.73Å
383D72.3Confident74.7Confident52 Ų5249.2 Ų49.228%0.27825%0.248SC..SBendtrans-79.2-22.2-177.6-62.5-30.5000112.9S105 G106 R396S105-D383 VanDerWaalsContact C-OD2 3.26Å; S105-D383 WeakPolarHBondContact CB-OD2 3.16Å; S105-D383 PolarHBondContact OG-OD2 3.4Å; G106-D383 WeakPolarHBondContact CA-OD2 3.44Å; G106-D383 PolarHBondContact N-OD2 3.24Å; G106-D383 VanDerWaalsContact N-OD2 3.16Å; D383-R396 WeakPolarHBondContact O-CD 3.36Å; D383-R396 WeakPolarHBondContact O-CG 3.38Å; D383-R396 PolarHBondContact O-NE 3.15Å
384E74.1Confident73.6Confident157 Ų15749.3 Ų49.373%0.73425%0.249SC*.SBendtrans-139136.8-178.6-64.2-174.117000110.3I382 F386I382-E384 WeakPolarHBondContact CG2-O 3.46Å; E384-F386 PolarHBondContact O-N 3.4Å
385S75.4Confident72.6Confident74 Ų7450.6 Ų50.652%0.51726%0.257SS..  trans-60.4131.9177.6-580000109.8I394 P395 R396S385-I394 CarbonylContact C-O 3.58Å; S385-I394 WeakPolarHBondContact CA-O 3.49Å; S385-P395 WeakPolarHBondContact OG-CA 3.22Å; S385-R396 PolarHBondContact OG-N 2.88Å
386F67.7Low71.9Confident32 Ų3257 Ų5714%0.1428%0.276CS..EExtended strand (participates in β ladder)trans-137148.9178.375.4-85000112.3P101 I382 E384 I388 T393 I394P101-F386 HydrophobicContact CG-CE1 4.1Å; P101-F386 HydrophobicContact CG-CE2 3.99Å; P101-F386 HydrophobicContact CG-CZ 3.44Å; P101-F386 VanDerWaalsContact CG-CZ 3.44Å; I382-F386 HydrophobicContact CB-CE1 4.49Å; I382-F386 HydrophobicContact CD1-CD1 4.49Å; I382-F386 HydrophobicContact CD1-CE1 3.63Å; I382-F386 HydrophobicContact CD1-CZ 4.41Å; I382-F386 HydrophobicContact CG1-CE1 3.89Å; I382-F386 HydrophobicContact CG2-CD1 3.68Å; I382-F386 HydrophobicContact CG2-CE1 3.77Å; E384-F386 PolarHBondContact O-N 3.4Å; F386-I388 HydrophobicContact CD2-CG1 4.48Å; F386-I388 HydrophobicContact CE2-CG1 3.78Å; F386-I388 HydrophobicContact CZ-CG1 4.38Å; F386-T393 WeakPolarHBondContact O-CA 3.1Å; F386-I394 HydrophobicContact CD1-CB 4.26Å; F386-I394 HydrophobicContact CE1-CB 3.89Å; F386-I394 HydrophobicContact CE1-CD1 3.74Å; F386-I394 HydrophobicContact CE1-CG1 4.39Å; F386-I394 HydrophobicContact CE1-CG2 4.18Å; F386-I394 HydrophobicContact CE2-CD1 3.96Å; F386-I394 HydrophobicContact CZ-CB 4.22Å; F386-I394 HydrophobicContact CZ-CD1 3.28Å; F386-I394 HydrophobicContact CZ-CG1 4.23Å; F386-I394 PolarHBondContact N-O 3.3Å; F386-I394 PolarHBondContact O-N 2.71Å
387E71.7Confident71.1Confident61 Ų6158 Ų5829%0.28529%0.286SS..EExtended strand (participates in β ladder)trans-86.5119.3-177.7-163.8-167.9136.600110.9R91 S95 S389 E390R91-E387 IonicContact CZ-OE1 2.93Å; R91-E387 IonicContact NH1-OE1 3.51Å; R91-E387 PolarHBondContact NH1-OE1 3.28Å; R91-E387 IonicContact NH1-OE2 3.86Å; R91-E387 PolarHBondContact NH1-OE2 2.93Å; S95-E387 PolarHBondContact OG-O 3.5Å; E387-S389 WeakPolarHBondContact CG-O 3.5Å; E387-S389 VanDerWaalsContact OE1-C 3.31Å; E387-E390 VanDerWaalsContact OE1-CA 3.24Å; E387-E390 WeakPolarHBondContact OE1-CA 3.02Å; E387-E390 PolarHBondContact OE1-N 3.18Å
388I64.2Low70.6Confident16 Ų1657.3 Ų57.38%0.08228%0.283CS..EExtended strand (participates in β ladder)trans-79.5-46.5173.3-86.3-167.1000110L81 V83 S89 W92 F386 F392 I394L81-I388 HydrophobicContact CD2-CD1 4.46Å; V83-I388 HydrophobicContact CG1-CD1 4.28Å; V83-I388 HydrophobicContact CG2-CD1 4.14Å; S89-I388 WeakPolarHBondContact CB-O 3.26Å; S89-I388 PolarHBondContact OG-O 3.28Å; W92-I388 VanDerWaalsContact CD1-O 3.24Å; W92-I388 HydrophobicContact CZ2-CD1 3.7Å; W92-I388 HydrophobicContact CZ2-CG1 3.99Å; W92-I388 VanDerWaalsContact NE1-CG1 3.27Å; F386-I388 HydrophobicContact CD2-CG1 4.48Å; F386-I388 HydrophobicContact CE2-CG1 3.78Å; F386-I388 HydrophobicContact CZ-CG1 4.38Å; I388-F392 HydrophobicContact CB-CD1 3.93Å; I388-F392 HydrophobicContact CD1-CD1 4.07Å; I388-F392 HydrophobicContact CD1-CE1 4.17Å; I388-F392 HydrophobicContact CG1-CD1 4.4Å; I388-F392 HydrophobicContact CG2-CB 4.42Å; I388-F392 HydrophobicContact CG2-CD1 3.96Å; I388-F392 PolarHBondContact N-O 3.34Å; I388-I394 HydrophobicContact CD1-CD1 3.14Å; I388-I394 HydrophobicContact CD1-CG1 3.65Å; I388-I394 HydrophobicContact CG1-CD1 3.64Å; I388-I394 HydrophobicContact CG1-CG1 3.97Å
389S61.5Low70.1Confident35 Ų3556.6 Ų56.625%0.24528%0.279CS..EExtended strand (participates in β ladder)trans-148.1166.2-179.468.20000108.8E387 H391 F392E387-S389 WeakPolarHBondContact CG-O 3.5Å; E387-S389 VanDerWaalsContact OE1-C 3.31Å; S389-H391 PolarHBondContact O-N 3.46Å; S389-F392 PolarHBondContact N-O 3.11Å; S389-F392 CarbonylContact O-C 3.59Å; S389-F392 PolarHBondContact O-N 3.38Å; S389-F392 VanDerWaalsContact O-O 3.12Å; S389-F392 WeakPolarHBondContact OG-CB 3.44Å; S389-F392 PolarHBondContact OG-N 3.33Å
390E66.3Low69.9Low162 Ų16256.6 Ų56.676%0.75728%0.28SS*.THydrogen-bonded Turntrans-49.1-26.1-179.1-168.7177.9166.500114.2E387E387-E390 VanDerWaalsContact OE1-CA 3.24Å; E387-E390 WeakPolarHBondContact OE1-CA 3.02Å; E387-E390 PolarHBondContact OE1-N 3.18Å
391H70.3Confident69.9Low145 Ų14556.7 Ų56.767%0.67128%0.28SS*.THydrogen-bonded Turntrans-1130.6-177.2-51.1-40.7000113.8S389S389-H391 PolarHBondContact O-N 3.46Å
392F68.3Low70Confident23 Ų2352.7 Ų52.710%0.10127%0.266CS..EExtended strand (participates in β ladder)trans-139.3114.2-172.7-163.9-103000113.1L32 K35 I36 L81 I388 S389 I394L32-F392 WeakPolarHBondContact O-CE2 3.44Å; K35-F392 HydrophobicContact CB-CD2 4.18Å; K35-F392 HydrophobicContact CB-CE2 4.31Å; I36-F392 HydrophobicContact CD1-CE1 4.06Å; I36-F392 HydrophobicContact CD1-CE2 3.64Å; I36-F392 HydrophobicContact CD1-CZ 3.19Å; I36-F392 HydrophobicContact CG1-CD2 4.2Å; I36-F392 HydrophobicContact CG1-CE1 4.14Å; I36-F392 HydrophobicContact CG1-CE2 3.39Å; I36-F392 HydrophobicContact CG1-CZ 3.38Å; L81-F392 HydrophobicContact CD2-CE1 3.74Å; L81-F392 HydrophobicContact CD2-CZ 4.11Å; I388-F392 HydrophobicContact CB-CD1 3.93Å; I388-F392 HydrophobicContact CD1-CD1 4.07Å; I388-F392 HydrophobicContact CD1-CE1 4.17Å; I388-F392 HydrophobicContact CG1-CD1 4.4Å; I388-F392 HydrophobicContact CG2-CB 4.42Å; I388-F392 HydrophobicContact CG2-CD1 3.96Å; I388-F392 PolarHBondContact N-O 3.34Å; S389-F392 PolarHBondContact N-O 3.11Å; S389-F392 CarbonylContact O-C 3.59Å; S389-F392 PolarHBondContact O-N 3.38Å; S389-F392 VanDerWaalsContact O-O 3.12Å; S389-F392 WeakPolarHBondContact OG-CB 3.44Å; S389-F392 PolarHBondContact OG-N 3.33Å; F392-I394 HydrophobicContact CD1-CG1 4.48Å; F392-I394 HydrophobicContact CE1-CG1 3.79Å
393T71.6Confident70.4Confident67 Ų6752.5 Ų52.541%0.41127%0.266SS..EExtended strand (participates in β ladder)trans-110.6128.9173.2-57.80000109.1F386F386-T393 WeakPolarHBondContact O-CA 3.1Å
394I70.9Confident71.1Confident2 Ų250 Ų501%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-81.1121.7167-65.1171000107.4L81 V83 I382 S385 F386 I388 F392 S398 V400L81-I394 HydrophobicContact CD2-CD1 3.81Å; L81-I394 HydrophobicContact CD2-CG1 3.8Å; V83-I394 HydrophobicContact CG2-CD1 4.43Å; I382-I394 HydrophobicContact CB-CG2 4.48Å; I382-I394 HydrophobicContact CG1-CG2 4.06Å; I382-I394 HydrophobicContact CG2-CG2 4.36Å; S385-I394 CarbonylContact C-O 3.58Å; S385-I394 WeakPolarHBondContact CA-O 3.49Å; F386-I394 HydrophobicContact CD1-CB 4.26Å; F386-I394 HydrophobicContact CE1-CB 3.89Å; F386-I394 HydrophobicContact CE1-CD1 3.74Å; F386-I394 HydrophobicContact CE1-CG1 4.39Å; F386-I394 HydrophobicContact CE1-CG2 4.18Å; F386-I394 HydrophobicContact CE2-CD1 3.96Å; F386-I394 HydrophobicContact CZ-CB 4.22Å; F386-I394 HydrophobicContact CZ-CD1 3.28Å; F386-I394 HydrophobicContact CZ-CG1 4.23Å; F386-I394 PolarHBondContact N-O 3.3Å; F386-I394 PolarHBondContact O-N 2.71Å; I388-I394 HydrophobicContact CD1-CD1 3.14Å; I388-I394 HydrophobicContact CD1-CG1 3.65Å; I388-I394 HydrophobicContact CG1-CD1 3.64Å; I388-I394 HydrophobicContact CG1-CG1 3.97Å; F392-I394 HydrophobicContact CD1-CG1 4.48Å; F392-I394 HydrophobicContact CE1-CG1 3.79Å; I394-S398 WeakPolarHBondContact CG2-OG 3.38Å; I394-V400 HydrophobicContact CD1-CG2 3.89Å
395P70.8Confident71.6Confident37 Ų3743.5 Ų43.524%0.2422%0.221CC..PPolyproline II helixtrans-74.1152.4178.131-34.8000111.4L32 S385 S398L32-P395 HydrophobicContact CD1-CG 3.71Å; S385-P395 WeakPolarHBondContact OG-CA 3.22Å; P395-S398 VanDerWaalsContact CD-OG 3.25Å; P395-S398 WeakPolarHBondContact CD-OG 3.32Å; P395-S398 VanDerWaalsContact CG-OG 3.24Å; P395-S398 WeakPolarHBondContact CG-OG 3.28Å; P395-S398 VanDerWaalsContact O-CB 3.25Å; P395-S398 WeakPolarHBondContact O-CB 3.16Å; P395-S398 PolarHBondContact O-N 2.56Å; P395-S398 VanDerWaalsContact O-N 3.13Å; P395-S398 PolarHBondContact O-OG 3.25Å
396R75.3Confident71.9Confident187 Ų18740.9 Ų40.971%0.70620%0.201SC*.THydrogen-bonded Turntrans-46.7141.8163.9174.4171.3-168.9-165.92.1111D383 S385 S398D383-R396 WeakPolarHBondContact O-CD 3.36Å; D383-R396 WeakPolarHBondContact O-CG 3.38Å; D383-R396 PolarHBondContact O-NE 3.15Å; S385-R396 PolarHBondContact OG-N 2.88Å; R396-S398 PolarHBondContact O-N 2.79Å
397G68.1Low72.6Confident21 Ų2139.4 Ų39.422%0.21620%0.195CC..THydrogen-bonded Turntrans81.1-4.4-177.600000114V78 I382V78-G397 WeakPolarHBondContact CG1-O 3.27Å; I382-G397 PolarHBondContact O-N 3.34Å
398S67.8Low73.6Confident3 Ų336.5 Ų36.52%0.02118%0.181CC..PPolyproline II helixtrans-66.7151.4171.3-55.10000111.6I382 I394 P395 R396I382-S398 WeakPolarHBondContact CB-O 3.42Å; I382-S398 WeakPolarHBondContact CG1-O 2.9Å; I382-S398 PolarHBondContact N-O 3.43Å; I394-S398 WeakPolarHBondContact CG2-OG 3.38Å; P395-S398 VanDerWaalsContact CD-OG 3.25Å; P395-S398 WeakPolarHBondContact CD-OG 3.32Å; P395-S398 VanDerWaalsContact CG-OG 3.24Å; P395-S398 WeakPolarHBondContact CG-OG 3.28Å; P395-S398 VanDerWaalsContact O-CB 3.25Å; P395-S398 WeakPolarHBondContact O-CB 3.16Å; P395-S398 PolarHBondContact O-N 2.56Å; P395-S398 VanDerWaalsContact O-N 3.13Å; P395-S398 PolarHBondContact O-OG 3.25Å; R396-S398 PolarHBondContact O-N 2.79Å
399E66.8Low74.7Confident4 Ų436.4 Ų36.42%0.01918%0.18CC..EExtended strand (participates in β ladder)trans-103.8124.9169.3-79.7163.5-169.700109V78 P79 R80 L81 R380V78-E399 HydrophobicContact CG1-CB 4Å; V78-E399 VanDerWaalsContact CG1-CD 3.42Å; V78-E399 HydrophobicContact CG1-CG 3.61Å; P79-E399 PolarHBondContact O-N 3.46Å; R80-E399 CarbonylContact C-O 3.58Å; R80-E399 WeakPolarHBondContact CA-O 3.19Å; R80-E399 HydrophobicContact CG-CB 4.07Å; R80-E399 WeakPolarHBondContact CG-OE2 2.79Å; R80-E399 IonicContact CZ-OE2 3.46Å; R80-E399 IonicContact NE-OE2 2.85Å; R80-E399 PolarHBondContact NE-OE2 3.13Å; R80-E399 IonicContact NH2-OE2 2.73Å; R80-E399 PolarHBondContact NH2-OE2 3.02Å; L81-E399 PolarHBondContact N-O 2.91Å; R380-E399 CarbonylContact O-C 3.36Å; R380-E399 WeakPolarHBondContact O-CA 3.29Å
400V69.7Low75.8Confident2 Ų236.1 Ų36.11%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-100.7118.3174.2175.70000109.2L81 V83 A379 R380 I382 I394 I402L81-V400 CarbonylContact O-C 3.54Å; L81-V400 VanDerWaalsContact O-CA 3.22Å; L81-V400 WeakPolarHBondContact O-CA 3.23Å; V83-V400 HydrophobicContact CB-CG1 4.3Å; V83-V400 HydrophobicContact CG2-CG1 3.93Å; A379-V400 CarbonylContact C-O 3.56Å; A379-V400 VanDerWaalsContact CA-O 3.25Å; A379-V400 WeakPolarHBondContact CA-O 3.43Å; R380-V400 PolarHBondContact N-O 3.14Å; R380-V400 PolarHBondContact O-N 2.97Å; I382-V400 HydrophobicContact CD1-CB 4.37Å; I382-V400 HydrophobicContact CD1-CG2 3.8Å; I382-V400 HydrophobicContact CG1-CG2 3.73Å; I394-V400 HydrophobicContact CD1-CG2 3.89Å; V400-I402 HydrophobicContact CG1-CG1 4.21Å
401L72.8Confident76.7Confident8 Ų832.6 Ų32.64%0.04217%0.166CC..EExtended strand (participates in β ladder)trans-90.7128.2173.5-67.5166.7000109.4F71 R80 L81 A82 V83 I377 A379F71-L401 HydrophobicContact CD2-CD1 4.14Å; R80-L401 HydrophobicContact CB-CD1 4.2Å; L81-L401 PolarHBondContact O-N 2.8Å; A82-L401 VanDerWaalsContact CA-O 3.26Å; A82-L401 WeakPolarHBondContact CA-O 3.28Å; A82-L401 HydrophobicContact CB-CB 3.97Å; V83-L401 PolarHBondContact N-O 3.1Å; I377-L401 HydrophobicContact CD1-CB 4.22Å; I377-L401 HydrophobicContact CD1-CD1 4.36Å; I377-L401 HydrophobicContact CD1-CD2 3.98Å; I377-L401 HydrophobicContact CD1-CG 4.42Å; I377-L401 HydrophobicContact CG1-CD2 4.24Å; A379-L401 HydrophobicContact CB-CD2 3.56Å; A379-L401 HydrophobicContact CB-CG 4.49Å
402I75.4Confident77.5Confident8 Ų831.6 Ų31.64%0.04116%0.16CC..EExtended strand (participates in β ladder)trans-114.8123.6175.6-60.4166.1000106.2P85 L102 I377 F378 R380 V400 P404 L439P85-I402 HydrophobicContact CG-CG2 4.18Å; L102-I402 HydrophobicContact CD2-CD1 3.61Å; L102-I402 HydrophobicContact CG-CD1 4.06Å; I377-I402 WeakPolarHBondContact CA-O 3.5Å; F378-I402 HydrophobicContact CD2-CB 3.96Å; F378-I402 HydrophobicContact CD2-CD1 4.31Å; F378-I402 HydrophobicContact CE1-CB 4.48Å; F378-I402 HydrophobicContact CE1-CG2 4.13Å; F378-I402 HydrophobicContact CE2-CB 3.53Å; F378-I402 HydrophobicContact CE2-CD1 3.59Å; F378-I402 HydrophobicContact CE2-CG1 4.11Å; F378-I402 HydrophobicContact CE2-CG2 3.73Å; F378-I402 HydrophobicContact CZ-CB 3.81Å; F378-I402 HydrophobicContact CZ-CD1 4.34Å; F378-I402 HydrophobicContact CZ-CG2 3.47Å; F378-I402 VanDerWaalsContact CZ-CG2 3.47Å; F378-I402 PolarHBondContact N-O 2.85Å; F378-I402 PolarHBondContact O-N 3.4Å; F378-I402 VanDerWaalsContact O-O 3.12Å; R380-I402 HydrophobicContact CG-CD1 4.46Å; V400-I402 HydrophobicContact CG1-CG1 4.21Å; I402-P404 VanDerWaalsContact O-CD 3.23Å; I402-P404 WeakPolarHBondContact O-CD 3.16Å; I402-L439 HydrophobicContact CG2-CD1 4.44Å
403C78.2Confident78.4Confident7 Ų732.3 Ų32.35%0.04716%0.164CC..  trans-115.887.4-174.6-174.50000110P376 I377 Y405 I406 V407P376-C403 CarbonylContact O-C 3.52Å; P376-C403 WeakPolarHBondContact O-CA 3.37Å; P376-C403 PolarHBondContact O-SG 2.84Å; I377-C403 HydrophobicContact CG1-CB 4.39Å; C403-Y405 PolarHBondContact O-N 2.79Å; C403-Y405 VanDerWaalsContact O-N 3.1Å; C403-I406 HydrophobicContact CB-CB 4.2Å; C403-I406 HydrophobicContact CB-CD1 3.88Å; C403-I406 HydrophobicContact CB-CG1 4.2Å; C403-I406 PolarHBondContact O-N 2.95Å; C403-I406 VanDerWaalsContact SG-CD1 3.6Å; C403-I406 VanDerWaalsContact SG-CG1 3.59Å; C403-V407 WeakPolarHBondContact O-CG2 3.04Å; C403-V407 PolarHBondContact O-N 2.75Å
404P86.2Confident79.4Confident0 Ų029.2 Ų29.20%015%0.145CC..Hα-helixtrans-44.2-41.3173.1-33.236.6000113.2P373 P376 F378 I402 I406 V407 H408P373-P404 HydrophobicContact CB-CB 4.09Å; P373-P404 HydrophobicContact CG-CB 4.03Å; P376-P404 VanDerWaalsContact O-CD 3.26Å; P376-P404 WeakPolarHBondContact O-CD 3.02Å; F378-P404 HydrophobicContact CD1-CG 3.88Å; F378-P404 HydrophobicContact CE1-CG 3.39Å; F378-P404 HydrophobicContact CZ-CG 4.38Å; I402-P404 VanDerWaalsContact O-CD 3.23Å; I402-P404 WeakPolarHBondContact O-CD 3.16Å; P404-I406 VanDerWaalsContact C-N 3.25Å; P404-I406 PolarHBondContact O-N 2.8Å; P404-V407 PolarHBondContact O-N 2.8Å; P404-H408 WeakPolarHBondContact O-CB 3.22Å; P404-H408 PolarHBondContact O-CD2 2.86Å; P404-H408 PolarHBondContact O-N 3.45Å; P404-H408 PolarHBondContact O-ND1 2.88Å
405Y85Confident80.4Confident19 Ų1933 Ų338%0.07517%0.169CC..Hα-helixtrans-55.2-39.2179.2-173.8-92.8000113.5Y61 P373 P376 C403 R409 P482 L488Y61-Y405 HydrophobicContact CD2-CD1 4Å; Y61-Y405 HydrophobicContact CD2-CE1 4.08Å; Y61-Y405 HydrophobicContact CD2-CG 4.39Å; Y61-Y405 HydrophobicContact CG-CD1 4.36Å; Y61-Y405 HydrophobicContact CG-CE1 4.43Å; P373-Y405 HydrophobicContact CG-CD2 4.49Å; P376-Y405 PolarHBondContact O-N 3.1Å; C403-Y405 PolarHBondContact O-N 2.79Å; C403-Y405 VanDerWaalsContact O-N 3.1Å; Y405-R409 VanDerWaalsContact CD2-NH1 3.29Å; Y405-R409 VanDerWaalsContact CE2-CZ 3.45Å; Y405-R409 VanDerWaalsContact CZ-CZ 3.44Å; Y405-R409 WeakPolarHBondContact O-CD 3.41Å; Y405-R409 WeakPolarHBondContact O-CG 3.42Å; Y405-R409 PolarHBondContact O-NH1 2.74Å; Y405-R409 VanDerWaalsContact O-NH1 3.09Å; Y405-P482 HydrophobicContact CE2-CG 4.19Å; Y405-L488 HydrophobicContact CD2-CD1 4.31Å; Y405-L488 HydrophobicContact CD2-CD2 3.61Å; Y405-L488 HydrophobicContact CE2-CD1 4.45Å; Y405-L488 HydrophobicContact CE2-CD2 3.79Å
406I80.8Confident81.5Confident19 Ų1937.2 Ų37.210%0.09719%0.19CC..Hα-helixtrans-78.7-46.9176.1-68.1168000110.7I66 C403 P404 H408 R409 D410I66-I406 HydrophobicContact CB-CG1 4.27Å; I66-I406 HydrophobicContact CG1-CG1 4.19Å; I66-I406 HydrophobicContact CG2-CG1 4.16Å; I66-I406 HydrophobicContact CG2-CG2 3.92Å; C403-I406 HydrophobicContact CB-CB 4.2Å; C403-I406 HydrophobicContact CB-CD1 3.88Å; C403-I406 HydrophobicContact CB-CG1 4.2Å; C403-I406 PolarHBondContact O-N 2.95Å; C403-I406 VanDerWaalsContact SG-CD1 3.6Å; C403-I406 VanDerWaalsContact SG-CG1 3.59Å; P404-I406 VanDerWaalsContact C-N 3.25Å; P404-I406 PolarHBondContact O-N 2.8Å; I406-H408 PolarHBondContact O-N 2.77Å; I406-R409 CarbonylContact O-C 3.54Å; I406-R409 WeakPolarHBondContact O-CA 3.46Å; I406-R409 PolarHBondContact O-N 3.45Å; I406-D410 PolarHBondContact O-N 3.32Å
407V82.8Confident82.3Confident2 Ų229.6 Ų29.61%0.01216%0.164CC..Hα-helixtrans-58.8-39.9-176.7177.30000111.7P85 C403 P404 R409 D410 F436P85-V407 HydrophobicContact CG-CG1 4.48Å; P85-V407 HydrophobicContact CG-CG2 3.81Å; C403-V407 WeakPolarHBondContact O-CG2 3.04Å; C403-V407 PolarHBondContact O-N 2.75Å; P404-V407 PolarHBondContact O-N 2.8Å; V407-R409 PolarHBondContact O-N 2.96Å; V407-D410 PolarHBondContact O-N 3.29Å; V407-F436 WeakPolarHBondContact CG1-O 3.38Å
408H91.8Very high83.4Confident0 Ų032.9 Ų32.90%017%0.174CC..THydrogen-bonded Turntrans-71.2-5.6178.5-67.7-179.4000113.8L369 R370 P404 I406 W414 Y438 L439L369-H408 PolarHBondContact O-ND1 2.81Å; R370-H408 WeakPolarHBondContact CA-ND1 3.35Å; R370-H408 HydrophobicContact CG-CB 3.67Å; R370-H408 PolarHBondContact NH1-O 2.97Å; R370-H408 WeakPolarHBondContact O-CB 3.1Å; R370-H408 PolarHBondContact O-ND1 3.18Å; P404-H408 WeakPolarHBondContact O-CB 3.22Å; P404-H408 PolarHBondContact O-CD2 2.86Å; P404-H408 PolarHBondContact O-N 3.45Å; P404-H408 PolarHBondContact O-ND1 2.88Å; I406-H408 PolarHBondContact O-N 2.77Å; H408-W414 VanDerWaalsContact C-CD1 3.47Å; H408-W414 VanDerWaalsContact O-CD1 3.22Å; H408-Y438 AromaticContact NE2-CD2 3.87Å; H408-L439 PolarHBondContact NE2-N 2.9Å
409R88.2Confident84.7Confident14 Ų1435.7 Ų35.75%0.05319%0.193CC..THydrogen-bonded Turntrans-116.35.7178.9-71.8175.3167.471.14.2113.6L371 Y405 I406 V407 P411 P417 E418L371-R409 PolarHBondContact O-NH1 3.07Å; L371-R409 PolarHBondContact O-NH2 3.01Å; Y405-R409 VanDerWaalsContact CD2-NH1 3.29Å; Y405-R409 VanDerWaalsContact CE2-CZ 3.45Å; Y405-R409 VanDerWaalsContact CZ-CZ 3.44Å; Y405-R409 WeakPolarHBondContact O-CD 3.41Å; Y405-R409 WeakPolarHBondContact O-CG 3.42Å; Y405-R409 PolarHBondContact O-NH1 2.74Å; Y405-R409 VanDerWaalsContact O-NH1 3.09Å; I406-R409 CarbonylContact O-C 3.54Å; I406-R409 WeakPolarHBondContact O-CA 3.46Å; I406-R409 PolarHBondContact O-N 3.45Å; V407-R409 PolarHBondContact O-N 2.96Å; R409-P411 WeakPolarHBondContact O-CD 3.26Å; R409-P411 VanDerWaalsContact O-N 3.16Å; R409-P417 HydrophobicContact CB-CB 4.18Å; R409-P417 HydrophobicContact CG-CB 4.45Å; R409-P417 WeakPolarHBondContact O-CB 3.15Å; R409-E418 WeakPolarHBondContact CD-OE1 3.36Å; R409-E418 IonicContact CZ-OE2 3.13Å; R409-E418 IonicContact NE-OE1 2.88Å; R409-E418 PolarHBondContact NE-OE1 3.15Å; R409-E418 IonicContact NE-OE2 2.7Å; R409-E418 PolarHBondContact NE-OE2 3.21Å; R409-E418 IonicContact NH2-OE2 3.55Å
410D83.7Confident86.1Confident29 Ų2936.1 Ų36.116%0.15520%0.195CC..  trans-64.5111.4174.5-177.8-4.3000109.7H84 S86 I406 V407 K412 H413 W414H84-D410 IonicContact CE1-OD2 3.67Å; H84-D410 PolarHBondContact CE1-OD2 3.46Å; H84-D410 IonicContact ND1-OD2 3.75Å; H84-D410 IonicContact NE2-OD2 3.57Å; S86-D410 PolarHBondContact OG-OD2 3.27Å; I406-D410 PolarHBondContact O-N 3.32Å; V407-D410 PolarHBondContact O-N 3.29Å; D410-K412 PolarHBondContact O-N 3.23Å; D410-K412 WeakPolarHBondContact OD1-CB 3.04Å; D410-K412 PolarHBondContact OD1-N 3.05Å; D410-H413 PolarHBondContact O-N 2.71Å; D410-H413 IonicContact OD2-CD2 2.92Å; D410-H413 PolarHBondContact OD2-CD2 3.35Å; D410-H413 IonicContact OD2-NE2 3.75Å; D410-W414 PolarHBondContact O-N 3.4Å
411P87.1Confident87.4Confident87 Ų8738.3 Ų38.357%0.56521%0.207SC*.THydrogen-bonded Turntrans-63.3-16.3-176.327-35.3000113.1R409 H413 W414R409-P411 WeakPolarHBondContact O-CD 3.26Å; R409-P411 VanDerWaalsContact O-N 3.16Å; P411-H413 PolarHBondContact O-N 2.94Å; P411-W414 WeakPolarHBondContact CA-O 3.28Å
412K85.8Confident88.7Confident125 Ų12538 Ų3854%0.54321%0.205SC..THydrogen-bonded Turntrans-62.8-32.5171.4-176.5-172.9172-164.20112.6D410D410-K412 PolarHBondContact O-N 3.23Å; D410-K412 WeakPolarHBondContact OD1-CB 3.04Å; D410-K412 PolarHBondContact OD1-N 3.05Å
413H87.5Confident89.7Confident38 Ų3839.8 Ų39.818%0.17622%0.215CC..THydrogen-bonded Turntrans-108.5-22.5-178-64.3-55.2000112.5S86 D410 P411 A437S86-H413 VanDerWaalsContact CB-NE2 3.27Å; S86-H413 WeakPolarHBondContact CB-NE2 3.34Å; D410-H413 PolarHBondContact O-N 2.71Å; D410-H413 IonicContact OD2-CD2 2.92Å; D410-H413 PolarHBondContact OD2-CD2 3.35Å; D410-H413 IonicContact OD2-NE2 3.75Å; P411-H413 PolarHBondContact O-N 2.94Å; H413-A437 HydrophobicContact CB-CB 3.91Å
414W92.3Very high90.6Very high1 Ų140.6 Ų40.60%0.00422%0.217CC..SBendtrans-133.482.8-173.3-55.3107.9000110.2R370 H408 D410 P411 D416 P417 R424 F425 R433 A437 Y438R370-W414 VanDerWaalsContact CD-CD2 3.49Å; R370-W414 HydrophobicContact CG-CH2 4.33Å; R370-W414 HydrophobicContact CG-CZ2 4.2Å; H408-W414 VanDerWaalsContact C-CD1 3.47Å; H408-W414 VanDerWaalsContact O-CD1 3.22Å; D410-W414 PolarHBondContact O-N 3.4Å; P411-W414 WeakPolarHBondContact CA-O 3.28Å; W414-D416 PolarHBondContact O-N 2.87Å; W414-P417 HydrophobicContact CB-CB 4.2Å; W414-P417 WeakPolarHBondContact O-CA 2.94Å; W414-P417 WeakPolarHBondContact O-CB 3.44Å; W414-P417 VanDerWaalsContact O-CD 3.28Å; W414-P417 WeakPolarHBondContact O-CD 3.2Å; W414-R424 HydrophobicContact CZ3-CB 4.21Å; W414-F425 HydrophobicContact CH2-CE1 4.05Å; W414-F425 HydrophobicContact CH2-CE2 4.25Å; W414-F425 AromaticContact CH2-CZ 3.57Å; W414-F425 HydrophobicContact CH2-CZ 3.57Å; W414-F425 HydrophobicContact CZ3-CE2 4.3Å; W414-F425 HydrophobicContact CZ3-CZ 4.06Å; W414-R433 VanDerWaalsContact CH2-NE 3.26Å; W414-A437 WeakPolarHBondContact CZ2-O 3.25Å; W414-A437 PolarHBondContact NE1-O 2.98Å; W414-A437 VanDerWaalsContact NE1-O 3.08Å; W414-Y438 HydrophobicContact CH2-CD2 4.29Å; W414-Y438 HydrophobicContact CZ2-CD2 4.11Å; W414-Y438 HydrophobicContact CZ2-CG 4.44Å
415P92Very high91.1Very high81 Ų8141.1 Ų41.153%0.52622%0.219SC..SBendtrans-55.6136.4173.8-23.133.5000110.4R424P415-R424 PolarHBondContact O-NH1 2.97Å; P415-R424 PolarHBondContact O-NH2 3.44Å
416D94.3Very high91.6Very high126 Ų12641.6 Ų41.667%0.67422%0.223SC*.SBendtrans49.961.5-170.7-59.3-38000113W414 E418 C419 R424W414-D416 PolarHBondContact O-N 2.87Å; D416-E418 PolarHBondContact O-N 2.65Å; D416-E418 VanDerWaalsContact O-N 3.1Å; D416-C419 HydrophobicContact CB-CB 4.14Å; D416-C419 VanDerWaalsContact O-CB 3.32Å; D416-C419 WeakPolarHBondContact O-CB 3.48Å; D416-C419 PolarHBondContact O-N 3.15Å; D416-R424 PolarHBondContact O-NH2 3.15Å
417P91.7Very high92Very high27 Ų2744.8 Ų44.818%0.17525%0.245CC..THydrogen-bonded Turntrans-64.7-23.4-164.823.9-33.3000114R370 L371 R409 W414R370-P417 VanDerWaalsContact CZ-O 3.32Å; R370-P417 PolarHBondContact NH1-O 2.73Å; R370-P417 PolarHBondContact NH2-O 2.89Å; L371-P417 WeakPolarHBondContact CD2-O 3.33Å; R409-P417 HydrophobicContact CB-CB 4.18Å; R409-P417 HydrophobicContact CG-CB 4.45Å; R409-P417 WeakPolarHBondContact O-CB 3.15Å; W414-P417 HydrophobicContact CB-CB 4.2Å; W414-P417 WeakPolarHBondContact O-CA 2.94Å; W414-P417 WeakPolarHBondContact O-CB 3.44Å; W414-P417 VanDerWaalsContact O-CD 3.28Å; W414-P417 WeakPolarHBondContact O-CD 3.2Å
418E90.9Very high92.5Very high90 Ų9053.2 Ų53.242%0.42128%0.277SS..THydrogen-bonded Turntrans-87.5-5.3176.3-58.7-59.5155.500112.5R409 D416 R477R409-E418 WeakPolarHBondContact CD-OE1 3.36Å; R409-E418 IonicContact CZ-OE2 3.13Å; R409-E418 IonicContact NE-OE1 2.88Å; R409-E418 PolarHBondContact NE-OE1 3.15Å; R409-E418 IonicContact NE-OE2 2.7Å; R409-E418 PolarHBondContact NE-OE2 3.21Å; R409-E418 IonicContact NH2-OE2 3.55Å; D416-E418 PolarHBondContact O-N 2.65Å; D416-E418 VanDerWaalsContact O-N 3.1Å; E418-R477 PolarHBondContact O-NH1 2.83Å; E418-R477 PolarHBondContact O-NH2 3.32Å
419C94.9Very high92.5Very high63 Ų6356.8 Ų56.843%0.42630%0.296SS..SBendtrans-73144.1173.3-170.90000110.4R370 D416R370-C419 PolarHBondContact NH2-O 3.27Å; D416-C419 HydrophobicContact CB-CB 4.14Å; D416-C419 VanDerWaalsContact O-CB 3.32Å; D416-C419 WeakPolarHBondContact O-CB 3.48Å; D416-C419 PolarHBondContact O-N 3.15Å
420F97Very high92.5Very high12 Ų1258 Ų585%0.05331%0.306CS..  trans-92.2100.2172174.9-126.3000107.2L324 V325 I331 E367 V368 L371 P422 R477L324-F420 HydrophobicContact CB-CD1 4.1Å; L324-F420 HydrophobicContact CB-CD2 4.49Å; L324-F420 HydrophobicContact CB-CE1 3.94Å; L324-F420 HydrophobicContact CB-CE2 4.38Å; L324-F420 HydrophobicContact CB-CG 4.39Å; L324-F420 HydrophobicContact CB-CZ 4.1Å; L324-F420 HydrophobicContact CD1-CD2 3.81Å; L324-F420 HydrophobicContact CD1-CE2 3.99Å; L324-F420 HydrophobicContact CD1-CG 4.23Å; L324-F420 HydrophobicContact CD2-CG 4.45Å; V325-F420 HydrophobicContact CG2-CE1 4.46Å; V325-F420 HydrophobicContact CG2-CZ 4.41Å; I331-F420 HydrophobicContact CD1-CD1 3.45Å; I331-F420 VanDerWaalsContact CD1-CD1 3.45Å; I331-F420 HydrophobicContact CD1-CE1 3.48Å; I331-F420 VanDerWaalsContact CD1-CE1 3.48Å; I331-F420 HydrophobicContact CD1-CG 4.41Å; I331-F420 HydrophobicContact CD1-CZ 4.45Å; I331-F420 HydrophobicContact CG2-CE1 4.08Å; E367-F420 HydrophobicContact CB-CD2 4.27Å; E367-F420 HydrophobicContact CB-CE2 3.92Å; E367-F420 HydrophobicContact CG-CD2 3.42Å; E367-F420 VanDerWaalsContact CG-CD2 3.42Å; E367-F420 HydrophobicContact CG-CE2 3.59Å; V368-F420 HydrophobicContact CG2-CE2 3.87Å; V368-F420 HydrophobicContact CG2-CZ 4.19Å; L371-F420 HydrophobicContact CD1-CB 3.9Å; L371-F420 HydrophobicContact CD1-CD2 3.8Å; L371-F420 HydrophobicContact CD1-CG 4.3Å; F420-P422 HydrophobicContact CE1-CG 4.35Å; F420-P422 HydrophobicContact CE2-CG 4.27Å; F420-P422 HydrophobicContact CZ-CG 4Å; F420-R477 VanDerWaalsContact CB-NH1 3.29Å
421D97.9Very high92.7Very high48 Ų4863.9 Ų63.926%0.25733%0.333SS..  trans-13293.6-174173.919.6000110.4E367 D423 R424E367-D421 PolarHBondContact OE1-N 3Å; D421-D423 PolarHBondContact O-N 3.25Å; D421-D423 VanDerWaalsContact OD1-CB 3.32Å; D421-D423 WeakPolarHBondContact OD1-CB 3.31Å; D421-D423 PolarHBondContact OD1-N 3.46Å; D421-R424 HydrophobicContact CB-CG 4.17Å; D421-R424 WeakPolarHBondContact O-CB 3.47Å; D421-R424 VanDerWaalsContact O-CG 3.26Å; D421-R424 WeakPolarHBondContact O-CG 3.39Å; D421-R424 PolarHBondContact O-N 2.87Å; D421-R424 WeakPolarHBondContact OD2-CG 3.32Å; D421-R424 IonicContact OD2-CZ 3.82Å; D421-R424 IonicContact OD2-NE 3.24Å
422P98.5Very high92.7Very high2 Ų263.9 Ų63.91%0.01335%0.348CS..G310 helixtrans-58.4-26.5175.7-26.335.9000113.7I331 Y360 C363 C364 F420 R424 F425I331-P422 HydrophobicContact CD1-CG 3.95Å; I331-P422 HydrophobicContact CG1-CG 4.38Å; I331-P422 HydrophobicContact CG2-CG 3.93Å; Y360-P422 HydrophobicContact CE2-CB 4.1Å; C363-P422 HydrophobicContact CB-CB 4.27Å; C363-P422 WeakPolarHBondContact CB-O 3.46Å; C364-P422 HydrophobicContact CB-CB 4.47Å; C364-P422 HydrophobicContact CB-CG 4.36Å; C364-P422 VanDerWaalsContact SG-CB 3.59Å; C364-P422 WeakPolarHBondContact SG-CG 3.35Å; F420-P422 HydrophobicContact CE1-CG 4.35Å; F420-P422 HydrophobicContact CE2-CG 4.27Å; F420-P422 HydrophobicContact CZ-CG 4Å; P422-R424 PolarHBondContact O-N 3.24Å; P422-F425 PolarHBondContact O-N 2.9Å
423D97.6Very high92.8Very high45 Ų4560.7 Ų60.724%0.24133%0.333CS..G310 helixtrans-65-19.3-174-69.15.2000111.4Y360 D421 F425 L426 N429Y360-D423 WeakPolarHBondContact CE2-OD1 3.37Å; D421-D423 PolarHBondContact O-N 3.25Å; D421-D423 VanDerWaalsContact OD1-CB 3.32Å; D421-D423 WeakPolarHBondContact OD1-CB 3.31Å; D421-D423 PolarHBondContact OD1-N 3.46Å; D423-F425 PolarHBondContact O-N 3.01Å; D423-F425 VanDerWaalsContact O-N 3.15Å; D423-L426 HydrophobicContact CB-CD1 3.81Å; D423-L426 HydrophobicContact CB-CG 4.42Å; D423-L426 WeakPolarHBondContact O-CB 3.34Å; D423-L426 WeakPolarHBondContact O-CG 3.35Å; D423-L426 PolarHBondContact O-N 3.46Å; D423-L426 VanDerWaalsContact O-N 3.13Å; D423-N429 WeakPolarHBondContact O-CB 3.19Å; D423-N429 PolarHBondContact O-ND2 3.03Å
424R96.7Very high92.8Very high24 Ų2460.6 Ų60.69%0.09133%0.332CS..G310 helixtrans-54.5-30.2170.9-62.7178.2-167.8-72.22.4113.4E367 W414 P415 D416 D421 P422 S430 R433E367-R424 IonicContact OE1-NE 2.73Å; E367-R424 PolarHBondContact OE1-NE 2.95Å; W414-R424 HydrophobicContact CZ3-CB 4.21Å; P415-R424 PolarHBondContact O-NH1 2.97Å; P415-R424 PolarHBondContact O-NH2 3.44Å; D416-R424 PolarHBondContact O-NH2 3.15Å; D421-R424 HydrophobicContact CB-CG 4.17Å; D421-R424 WeakPolarHBondContact O-CB 3.47Å; D421-R424 VanDerWaalsContact O-CG 3.26Å; D421-R424 WeakPolarHBondContact O-CG 3.39Å; D421-R424 PolarHBondContact O-N 2.87Å; D421-R424 WeakPolarHBondContact OD2-CG 3.32Å; D421-R424 IonicContact OD2-CZ 3.82Å; D421-R424 IonicContact OD2-NE 3.24Å; P422-R424 PolarHBondContact O-N 3.24Å; R424-S430 PolarHBondContact O-OG 2.94Å; R424-R433 PolarHBondContact O-NH1 2.9Å; R424-R433 PolarHBondContact O-NH2 3.35Å
425F97.5Very high92.4Very high12 Ų1265.3 Ų65.35%0.05336%0.363CS..G310 helixtrans-97.4-0.3-176.9-72.3-77.8000114C363 K366 E367 R370 W414 P422 D423 S430 Y438C363-F425 HydrophobicContact CB-CB 3.98Å; C363-F425 VanDerWaalsContact SG-C 3.51Å; K366-F425 HydrophobicContact CB-CB 4.19Å; K366-F425 HydrophobicContact CB-CD1 3.66Å; K366-F425 HydrophobicContact CB-CD2 3.72Å; K366-F425 HydrophobicContact CB-CE1 3.89Å; K366-F425 HydrophobicContact CB-CE2 3.95Å; K366-F425 HydrophobicContact CB-CG 3.56Å; K366-F425 HydrophobicContact CB-CZ 4.02Å; K366-F425 HydrophobicContact CD-CB 4.23Å; K366-F425 HydrophobicContact CD-CD1 3.74Å; K366-F425 HydrophobicContact CD-CE1 4.37Å; K366-F425 HydrophobicContact CD-CG 4.1Å; K366-F425 HydrophobicContact CG-CD1 4.27Å; K366-F425 HydrophobicContact CG-CG 4.48Å; E367-F425 HydrophobicContact CB-CD2 3.97Å; E367-F425 HydrophobicContact CB-CE2 4.03Å; E367-F425 VanDerWaalsContact OE2-CE2 3.27Å; E367-F425 WeakPolarHBondContact OE2-CE2 3.45Å; R370-F425 HydrophobicContact CB-CE2 4.16Å; R370-F425 HydrophobicContact CB-CZ 4.18Å; W414-F425 HydrophobicContact CH2-CE1 4.05Å; W414-F425 HydrophobicContact CH2-CE2 4.25Å; W414-F425 AromaticContact CH2-CZ 3.57Å; W414-F425 HydrophobicContact CH2-CZ 3.57Å; W414-F425 HydrophobicContact CZ3-CE2 4.3Å; W414-F425 HydrophobicContact CZ3-CZ 4.06Å; P422-F425 PolarHBondContact O-N 2.9Å; D423-F425 PolarHBondContact O-N 3.01Å; D423-F425 VanDerWaalsContact O-N 3.15Å; F425-S430 PolarHBondContact O-OG 3.42Å; F425-Y438 HydrophobicContact CE1-CD1 4.02Å; F425-Y438 HydrophobicContact CE1-CD2 4.01Å; F425-Y438 AromaticContact CE1-CE1 3.85Å; F425-Y438 HydrophobicContact CE1-CE1 3.85Å; F425-Y438 AromaticContact CE1-CE2 3.86Å; F425-Y438 HydrophobicContact CE1-CE2 3.86Å; F425-Y438 HydrophobicContact CE1-CG 4.07Å; F425-Y438 AromaticContact CE1-CZ 3.75Å; F425-Y438 HydrophobicContact CE2-CE2 4.45Å; F425-Y438 AromaticContact CZ-CD2 3.7Å; F425-Y438 HydrophobicContact CZ-CD2 3.7Å; F425-Y438 HydrophobicContact CZ-CE1 4.27Å; F425-Y438 AromaticContact CZ-CE2 3.41Å; F425-Y438 HydrophobicContact CZ-CE2 3.41Å; F425-Y438 VanDerWaalsContact CZ-CE2 3.41Å; F425-Y438 HydrophobicContact CZ-CG 4.23Å; F425-Y438 AromaticContact CZ-CZ 3.7Å
426L95.6Very high92.1Very high29 Ų2963.3 Ų63.315%0.15235%0.346CS..SBendtrans-55.8144.6167.2-67.8171.3000109.6D423 R428 N429 S430D423-L426 HydrophobicContact CB-CD1 3.81Å; D423-L426 HydrophobicContact CB-CG 4.42Å; D423-L426 WeakPolarHBondContact O-CB 3.34Å; D423-L426 WeakPolarHBondContact O-CG 3.35Å; D423-L426 PolarHBondContact O-N 3.46Å; D423-L426 VanDerWaalsContact O-N 3.13Å; L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 HydrophobicContact CB-CG 4.31Å; L426-R428 PolarHBondContact O-N 3.49Å; L426-N429 PolarHBondContact O-N 3.45Å; L426-S430 PolarHBondContact O-N 3.5Å; L426-S430 PolarHBondContact O-OG 3.45Å
427P89.6Confident91.9Very high86 Ų8657.4 Ų57.456%0.55832%0.315SS*.Hα-helixtrans-49.1-48.8-176.5-30.635.2000112.9N429 S430 H431P427-N429 VanDerWaalsContact C-N 3.3Å; P427-N429 PolarHBondContact O-N 2.99Å; P427-S430 PolarHBondContact O-N 3.14Å; P427-S430 VanDerWaalsContact O-N 3.14Å; P427-H431 PolarHBondContact O-CD2 2.93Å; P427-H431 PolarHBondContact O-N 2.95Å
428R92.2Very high92Very high179 Ų17958.3 Ų58.368%0.67532%0.315SS*.Hα-helixtrans-55.8-37.9177.664.8179.9-180-135.7-1.2114.2L426L426-R428 VanDerWaalsContact C-N 3.28Å; L426-R428 HydrophobicContact CB-CG 4.31Å; L426-R428 PolarHBondContact O-N 3.49Å
429N92Very high92Very high75 Ų7554.3 Ų54.340%0.40130%0.296SS..Hα-helixtrans-88.9-11.8-176.1-69.2-15.7000112.7D423 L426 P427 R433D423-N429 WeakPolarHBondContact O-CB 3.19Å; D423-N429 PolarHBondContact O-ND2 3.03Å; L426-N429 PolarHBondContact O-N 3.45Å; P427-N429 VanDerWaalsContact C-N 3.3Å; P427-N429 PolarHBondContact O-N 2.99Å; N429-R433 PolarHBondContact O-NH2 2.88Å; N429-R433 VanDerWaalsContact O-NH2 3.09Å
430S88.1Confident92Very high39 Ų3952.1 Ų52.127%0.27328%0.282SS..Hα-helixtrans-89.4-17.7176.3-63.80000113.1R424 F425 L426 P427 G432 R433R424-S430 PolarHBondContact O-OG 2.94Å; F425-S430 PolarHBondContact O-OG 3.42Å; L426-S430 PolarHBondContact O-N 3.5Å; L426-S430 PolarHBondContact O-OG 3.45Å; P427-S430 PolarHBondContact O-N 3.14Å; P427-S430 VanDerWaalsContact O-N 3.14Å; S430-G432 PolarHBondContact O-N 3.07Å; S430-R433 WeakPolarHBondContact O-CB 3.27Å; S430-R433 PolarHBondContact O-N 2.77Å; S430-R433 PolarHBondContact OG-NH1 3.13Å
431H88.1Confident91.9Very high153 Ų15352.9 Ų52.971%0.70829%0.285SS*.THydrogen-bonded Turntrans-59.8135.8176.4-77.8-76.6000111.9P427 R433P427-H431 PolarHBondContact O-CD2 2.93Å; P427-H431 PolarHBondContact O-N 2.95Å; H431-R433 PolarHBondContact O-N 2.65Å
432G86.9Confident91.5Very high87 Ų8751.5 Ų51.590%0.89728%0.279SS*.THydrogen-bonded Turntrans77-5.6177.600000115.5S430 H434S430-G432 PolarHBondContact O-N 3.07Å; G432-H434 PolarHBondContact O-N 2.66Å
433R88.1Confident90.7Very high57 Ų5752.2 Ų52.222%0.21529%0.285CS..  trans-62.5136.9173.9-173176.6-63.8123.96.4110W414 R424 N429 S430 H431 A437W414-R433 VanDerWaalsContact CH2-NE 3.26Å; R424-R433 PolarHBondContact O-NH1 2.9Å; R424-R433 PolarHBondContact O-NH2 3.35Å; N429-R433 PolarHBondContact O-NH2 2.88Å; N429-R433 VanDerWaalsContact O-NH2 3.09Å; S430-R433 WeakPolarHBondContact O-CB 3.27Å; S430-R433 PolarHBondContact O-N 2.77Å; S430-R433 PolarHBondContact OG-NH1 3.13Å; H431-R433 PolarHBondContact O-N 2.65Å; R433-A437 HydrophobicContact CG-CB 4.15Å
434H86.9Confident90Very high37 Ų3751.2 Ų51.217%0.17129%0.285CS..  trans-62132.3177.7-169.7-95.5000110.3G432 F436 A437G432-H434 PolarHBondContact O-N 2.66Å; H434-F436 AromaticContact CE1-CD2 3.65Å; H434-F436 PolarHBondContact ND1-N 2.87Å; H434-F436 PolarHBondContact O-N 3Å; H434-F436 VanDerWaalsContact O-N 3.08Å; H434-A437 HydrophobicContact CB-CB 4.11Å; H434-A437 WeakPolarHBondContact O-CB 3.24Å; H434-A437 PolarHBondContact O-N 3.11Å
435P83.9Confident89.2Confident100 Ų10051.7 Ų51.765%0.64929%0.294SS*.G310 helixtrans-55.4-33.2-176-28.635000114.1
436F86.4Confident88.4Confident39 Ų3951.9 Ų51.917%0.17130%0.295CS..G310 helixtrans-94.811.5179.4-55.3-76.4000114.3P85 V96 L102 V407 H434 Y438 L439 A443P85-F436 HydrophobicContact CB-CB 4.07Å; V96-F436 HydrophobicContact CB-CE2 4.43Å; V96-F436 HydrophobicContact CG1-CD2 3.78Å; V96-F436 HydrophobicContact CG1-CE1 4.1Å; V96-F436 HydrophobicContact CG1-CE2 3.19Å; V96-F436 HydrophobicContact CG1-CG 4.43Å; V96-F436 HydrophobicContact CG1-CZ 3.38Å; L102-F436 HydrophobicContact CD1-CD1 3.45Å; L102-F436 VanDerWaalsContact CD1-CD1 3.45Å; L102-F436 HydrophobicContact CD1-CE1 3.44Å; L102-F436 VanDerWaalsContact CD1-CE1 3.44Å; L102-F436 HydrophobicContact CD1-CG 4.49Å; L102-F436 HydrophobicContact CD1-CZ 4.46Å; V407-F436 WeakPolarHBondContact CG1-O 3.38Å; H434-F436 AromaticContact CE1-CD2 3.65Å; H434-F436 PolarHBondContact ND1-N 2.87Å; H434-F436 PolarHBondContact O-N 3Å; H434-F436 VanDerWaalsContact O-N 3.08Å; F436-Y438 VanDerWaalsContact C-N 3.31Å; F436-L439 HydrophobicContact CB-CD1 4.25Å; F436-L439 HydrophobicContact CD1-CD2 3.95Å; F436-L439 WeakPolarHBondContact O-CD1 3.23Å; F436-A443 HydrophobicContact CD1-CB 4.23Å; F436-A443 HydrophobicContact CE1-CB 3.95Å
437A89.4Confident88.1Confident1 Ų152.9 Ų52.91%0.00830%0.3CS..G310 helixtrans-82.7-11.417100000112.7H413 W414 R433 H434H413-A437 HydrophobicContact CB-CB 3.91Å; W414-A437 WeakPolarHBondContact CZ2-O 3.25Å; W414-A437 PolarHBondContact NE1-O 2.98Å; W414-A437 VanDerWaalsContact NE1-O 3.08Å; R433-A437 HydrophobicContact CG-CB 4.15Å; H434-A437 HydrophobicContact CB-CB 4.11Å; H434-A437 WeakPolarHBondContact O-CB 3.24Å; H434-A437 PolarHBondContact O-N 3.11Å
438Y93.7Very high88.1Confident47 Ų4751 Ų5118%0.18429%0.288CS..  trans-137.6112.1177.8-173-114.5000110.2K366 R370 H408 W414 F425 F436 P440K366-Y438 WeakPolarHBondContact CA-OH 3.25Å; K366-Y438 WeakPolarHBondContact CB-OH 2.91Å; K366-Y438 PolarHBondContact O-OH 2.85Å; R370-Y438 HydrophobicContact CB-CD2 4.34Å; R370-Y438 HydrophobicContact CB-CE2 3.86Å; R370-Y438 HydrophobicContact CG-CD2 4.41Å; R370-Y438 HydrophobicContact CG-CE2 4.42Å; H408-Y438 AromaticContact NE2-CD2 3.87Å; W414-Y438 HydrophobicContact CH2-CD2 4.29Å; W414-Y438 HydrophobicContact CZ2-CD2 4.11Å; W414-Y438 HydrophobicContact CZ2-CG 4.44Å; F425-Y438 HydrophobicContact CE1-CD1 4.02Å; F425-Y438 HydrophobicContact CE1-CD2 4.01Å; F425-Y438 AromaticContact CE1-CE1 3.85Å; F425-Y438 HydrophobicContact CE1-CE1 3.85Å; F425-Y438 AromaticContact CE1-CE2 3.86Å; F425-Y438 HydrophobicContact CE1-CE2 3.86Å; F425-Y438 HydrophobicContact CE1-CG 4.07Å; F425-Y438 AromaticContact CE1-CZ 3.75Å; F425-Y438 HydrophobicContact CE2-CE2 4.45Å; F425-Y438 AromaticContact CZ-CD2 3.7Å; F425-Y438 HydrophobicContact CZ-CD2 3.7Å; F425-Y438 HydrophobicContact CZ-CE1 4.27Å; F425-Y438 AromaticContact CZ-CE2 3.41Å; F425-Y438 HydrophobicContact CZ-CE2 3.41Å; F425-Y438 VanDerWaalsContact CZ-CE2 3.41Å; F425-Y438 HydrophobicContact CZ-CG 4.23Å; F425-Y438 AromaticContact CZ-CZ 3.7Å; F436-Y438 VanDerWaalsContact C-N 3.31Å; Y438-P440 HydrophobicContact CD1-CG 4.15Å; Y438-P440 HydrophobicContact CE1-CG 3.52Å; Y438-P440 HydrophobicContact CE2-CG 3.97Å; Y438-P440 VanDerWaalsContact CZ-CG 3.44Å
439L92.2Very high88Confident5 Ų543.6 Ų43.63%0.02626%0.262CS..  trans-140.144.2-169.9-62.8172.3000113.1P85 I402 H408 F436 F441 S442 A443P85-L439 HydrophobicContact CG-CD1 4.25Å; I402-L439 HydrophobicContact CG2-CD1 4.44Å; H408-L439 PolarHBondContact NE2-N 2.9Å; F436-L439 HydrophobicContact CB-CD1 4.25Å; F436-L439 HydrophobicContact CD1-CD2 3.95Å; F436-L439 WeakPolarHBondContact O-CD1 3.23Å; L439-F441 PolarHBondContact O-N 3.21Å; L439-S442 PolarHBondContact O-N 2.85Å; L439-S442 VanDerWaalsContact O-N 3.13Å; L439-A443 HydrophobicContact CD2-CB 3.48Å; L439-A443 VanDerWaalsContact CD2-CB 3.48Å
440P94.8Very high87.9Confident18 Ų1840.6 Ų40.612%0.11725%0.249CC..THydrogen-bonded Turntrans-63.4-28.1-179.231.5-40000112.8L369 Y438L369-P440 HydrophobicContact CB-CB 3.83Å; L369-P440 HydrophobicContact CB-CG 4.46Å; L369-P440 HydrophobicContact CD1-CB 4.44Å; Y438-P440 HydrophobicContact CD1-CG 4.15Å; Y438-P440 HydrophobicContact CE1-CG 3.52Å; Y438-P440 HydrophobicContact CE2-CG 3.97Å; Y438-P440 VanDerWaalsContact CZ-CG 3.44Å
441F93.9Very high88.2Confident27 Ų2742.5 Ų42.512%0.11825%0.253CS..THydrogen-bonded Turntrans-106.122.7178.7-64.2-72.2000112.1L369 L439 C448 Q451 A454 M455L369-F441 HydrophobicContact CD1-CE2 3.82Å; L369-F441 HydrophobicContact CD1-CZ 3.78Å; L439-F441 PolarHBondContact O-N 3.21Å; F441-C448 HydrophobicContact CB-CB 3.87Å; F441-C448 HydrophobicContact CD1-CB 3.91Å; F441-C448 HydrophobicContact CG-CB 4.37Å; F441-C448 PolarHBondContact O-N 3.45Å; F441-Q451 HydrophobicContact CB-CB 4.06Å; F441-Q451 HydrophobicContact CB-CG 4.05Å; F441-Q451 HydrophobicContact CD1-CB 3.86Å; F441-Q451 HydrophobicContact CD1-CG 4.01Å; F441-Q451 HydrophobicContact CD2-CB 4.21Å; F441-Q451 HydrophobicContact CD2-CG 3.46Å; F441-Q451 VanDerWaalsContact CD2-CG 3.46Å; F441-Q451 HydrophobicContact CE1-CB 4.37Å; F441-Q451 HydrophobicContact CE1-CG 4.35Å; F441-Q451 HydrophobicContact CE2-CG 3.86Å; F441-Q451 HydrophobicContact CG-CB 3.77Å; F441-Q451 HydrophobicContact CG-CG 3.55Å; F441-Q451 HydrophobicContact CZ-CG 4.28Å; F441-A454 HydrophobicContact CE1-CB 3.98Å; F441-A454 HydrophobicContact CZ-CB 4.27Å; F441-M455 HydrophobicContact CE2-CG 4.25Å; F441-M455 HydrophobicContact CE2-SD 3.96Å; F441-M455 HydrophobicContact CZ-CG 4.26Å; F441-M455 HydrophobicContact CZ-SD 4.05Å
442S88.8Confident88.5Confident20 Ų2042.2 Ų42.214%0.1425%0.246CC..  trans56.1-160.3-168-166.70000111.5F378 R380 L439F378-S442 WeakPolarHBondContact CE2-OG 3.19Å; F378-S442 WeakPolarHBondContact CZ-OG 3.48Å; R380-S442 PolarHBondContact NH2-OG 2.93Å; R380-S442 VanDerWaalsContact NH2-OG 3.13Å; L439-S442 PolarHBondContact O-N 2.85Å; L439-S442 VanDerWaalsContact O-N 3.13Å
443A82.6Confident88.8Confident17 Ų1738.5 Ų38.514%0.1421%0.206CC..  trans-155.8173.5175.700000110.9L102 F436 L439L102-A443 HydrophobicContact CD1-CB 4.12Å; L102-A443 HydrophobicContact CD2-CB 4.34Å; F436-A443 HydrophobicContact CD1-CB 4.23Å; F436-A443 HydrophobicContact CE1-CB 3.95Å; L439-A443 HydrophobicContact CD2-CB 3.48Å; L439-A443 VanDerWaalsContact CD2-CB 3.48Å
444G82Confident89.2Confident23 Ų2336.1 Ų36.124%0.23720%0.198CC..G310 helixtrans70.7-160.4-179.600000113.5L102 D103 R446 N447L102-G444 WeakPolarHBondContact O-CA 3.38Å; D103-G444 WeakPolarHBondContact OD1-CA 3.21Å; G444-R446 PolarHBondContact O-N 2.85Å; G444-R446 VanDerWaalsContact O-N 3.13Å; G444-N447 WeakPolarHBondContact O-CB 3.44Å; G444-N447 PolarHBondContact O-N 3.35Å; G444-N447 PolarHBondContact O-OD1 2.88Å
445A81.3Confident89.7Confident34 Ų3435.4 Ų35.428%0.28120%0.195SC..G310 helixtrans-65.8-19-171.600000113.9L102 W133L102-A445 PolarHBondContact O-N 3.48Å; W133-A445 HydrophobicContact CH2-CB 3.73Å; W133-A445 VanDerWaalsContact CH2-O 3.27Å; W133-A445 WeakPolarHBondContact CH2-O 3.25Å; W133-A445 WeakPolarHBondContact CZ3-O 3.42Å
446R80.5Confident90.4Very high17 Ų1731.6 Ų31.66%0.06417%0.169CC..G310 helixtrans-106.823.3176.8-73-79.5-152.1156.210.1112.8S125 M126 S128 W133 R380 G444S125-R446 PolarHBondContact O-NH1 3.06Å; S125-R446 VanDerWaalsContact O-NH1 3.07Å; M126-R446 PolarHBondContact O-NH1 3.25Å; S128-R446 PolarHBondContact O-NH2 3.28Å; W133-R446 VanDerWaalsContact CD2-NE 3.33Å; W133-R446 HydrophobicContact CH2-CG 3.84Å; W133-R446 HydrophobicContact CZ2-CG 3.75Å; W133-R446 HydrophobicContact CZ3-CG 4.3Å; W133-R446 VanDerWaalsContact NE1-NE 3.11Å; R380-R446 VanDerWaalsContact NH2-CB 3.32Å; R380-R446 PolarHBondContact NH2-O 2.96Å; G444-R446 PolarHBondContact O-N 2.85Å; G444-R446 VanDerWaalsContact O-N 3.13Å
447N87.8Confident90.9Very high50 Ų5029.7 Ų29.727%0.26716%0.16SC..SBendtrans-64.6165.6172.173.3-22.1000111.3R137 G444 I449R137-N447 VanDerWaalsContact CZ-O 3.23Å; R137-N447 PolarHBondContact NH1-O 2.93Å; R137-N447 PolarHBondContact NH2-O 2.8Å; R137-N447 PolarHBondContact NH2-OD1 3.4Å; G444-N447 WeakPolarHBondContact O-CB 3.44Å; G444-N447 PolarHBondContact O-N 3.35Å; G444-N447 PolarHBondContact O-OD1 2.88Å; N447-I449 PolarHBondContact O-N 3.41Å
448C91.4Very high91.4Very high46 Ų4629.9 Ų29.931%0.31116%0.161SC..  trans-60.1124.1175.4-177.80000110.4F441 G450 Q451F441-C448 HydrophobicContact CB-CB 3.87Å; F441-C448 HydrophobicContact CD1-CB 3.91Å; F441-C448 HydrophobicContact CG-CB 4.37Å; F441-C448 PolarHBondContact O-N 3.45Å; C448-G450 VanDerWaalsContact C-N 3.32Å; C448-G450 PolarHBondContact SG-N 3.21Å; C448-G450 VanDerWaalsContact SG-N 3.42Å; C448-Q451 HydrophobicContact CB-CB 4.49Å
449I89.1Confident91.6Very high23 Ų2328 Ų2812%0.11815%0.154CC..THydrogen-bonded Turntrans-69.2-35.2175.4-165.8172.5000111.1R137 L140 F144 F306 N447 Q451R137-I449 VanDerWaalsContact CZ-CB 3.41Å; L140-I449 HydrophobicContact CB-CD1 3.97Å; F144-I449 HydrophobicContact CB-CG1 4.28Å; F144-I449 HydrophobicContact CD2-CD1 3.5Å; F144-I449 VanDerWaalsContact CD2-CD1 3.5Å; F144-I449 HydrophobicContact CD2-CG1 3.56Å; F144-I449 HydrophobicContact CD2-CG2 4.39Å; F144-I449 HydrophobicContact CE2-CD1 3.84Å; F144-I449 HydrophobicContact CE2-CG1 4.12Å; F144-I449 HydrophobicContact CE2-CG2 4.16Å; F144-I449 HydrophobicContact CG-CD1 4.38Å; F144-I449 HydrophobicContact CG-CG1 3.96Å; F144-I449 HydrophobicContact CZ-CG2 4.38Å; F306-I449 HydrophobicContact CE1-CG2 3.68Å; F306-I449 HydrophobicContact CZ-CG2 4.12Å; N447-I449 PolarHBondContact O-N 3.41Å; I449-Q451 VanDerWaalsContact C-N 3.29Å; I449-Q451 PolarHBondContact O-N 3.19Å
450G90.6Very high91.9Very high13 Ų1327.8 Ų27.813%0.13415%0.153CC..THydrogen-bonded Turntrans-83.210.8-17800000114.7C448 R452 F453 A454C448-G450 VanDerWaalsContact C-N 3.32Å; C448-G450 PolarHBondContact SG-N 3.21Å; C448-G450 VanDerWaalsContact SG-N 3.42Å; G450-R452 VanDerWaalsContact C-N 3.29Å; G450-R452 PolarHBondContact O-N 2.93Å; G450-F453 WeakPolarHBondContact O-CB 3.47Å; G450-F453 PolarHBondContact O-N 3.32Å; G450-F453 VanDerWaalsContact O-N 3.1Å; G450-A454 PolarHBondContact O-N 3.24Å
451Q94Very high92.1Very high78 Ų7826.9 Ų26.936%0.36415%0.147SC..Hα-helixtrans-53.3-44.8-176.7170173-2.500112.7F441 C448 I449 M455F441-Q451 HydrophobicContact CB-CB 4.06Å; F441-Q451 HydrophobicContact CB-CG 4.05Å; F441-Q451 HydrophobicContact CD1-CB 3.86Å; F441-Q451 HydrophobicContact CD1-CG 4.01Å; F441-Q451 HydrophobicContact CD2-CB 4.21Å; F441-Q451 HydrophobicContact CD2-CG 3.46Å; F441-Q451 VanDerWaalsContact CD2-CG 3.46Å; F441-Q451 HydrophobicContact CE1-CB 4.37Å; F441-Q451 HydrophobicContact CE1-CG 4.35Å; F441-Q451 HydrophobicContact CE2-CG 3.86Å; F441-Q451 HydrophobicContact CG-CB 3.77Å; F441-Q451 HydrophobicContact CG-CG 3.55Å; F441-Q451 HydrophobicContact CZ-CG 4.28Å; C448-Q451 HydrophobicContact CB-CB 4.49Å; I449-Q451 VanDerWaalsContact C-N 3.29Å; I449-Q451 PolarHBondContact O-N 3.19Å; Q451-M455 WeakPolarHBondContact O-CG 3.35Å; Q451-M455 PolarHBondContact O-N 3.13Å; Q451-M455 VanDerWaalsContact O-N 3.14Å
452R93.8Very high92.3Very high147 Ų14725.6 Ų25.656%0.55514%0.141SC*.Hα-helixtrans-70.8-40.1179.4-69.5-178.5178.3174.8-1.5111.8L149 G450 M455 I456L149-R452 HydrophobicContact CD1-CB 3.5Å; G450-R452 VanDerWaalsContact C-N 3.29Å; G450-R452 PolarHBondContact O-N 2.93Å; R452-M455 PolarHBondContact O-N 3.23Å; R452-I456 WeakPolarHBondContact O-CB 3.13Å; R452-I456 WeakPolarHBondContact O-CD1 3.37Å; R452-I456 WeakPolarHBondContact O-CG1 3.28Å; R452-I456 PolarHBondContact O-N 2.93Å
453F93.9Very high92.8Very high10 Ų1024.7 Ų24.74%0.04414%0.135CC..Hα-helixtrans-55.4-53.3174.3179.7-79000110.4F144 L149 F152 F156 I191 I192 T195 G450 M455 I456 E457F144-F453 HydrophobicContact CD1-CB 4.26Å; F144-F453 HydrophobicContact CE1-CB 4.45Å; L149-F453 HydrophobicContact CD2-CB 4.05Å; L149-F453 HydrophobicContact CD2-CD2 3.97Å; F152-F453 AromaticContact CD2-CD2 3.94Å; F152-F453 HydrophobicContact CD2-CD2 3.94Å; F152-F453 AromaticContact CD2-CE2 3.89Å; F152-F453 HydrophobicContact CD2-CE2 3.89Å; F152-F453 HydrophobicContact CE2-CD2 4.37Å; F152-F453 HydrophobicContact CE2-CE2 4.35Å; F156-F453 HydrophobicContact CE1-CD2 4.48Å; F156-F453 HydrophobicContact CE1-CE1 4.24Å; F156-F453 AromaticContact CE1-CE2 3.74Å; F156-F453 HydrophobicContact CE1-CE2 3.74Å; F156-F453 AromaticContact CE1-CZ 3.6Å; F156-F453 HydrophobicContact CE1-CZ 3.6Å; F156-F453 AromaticContact CZ-CD2 3.88Å; F156-F453 HydrophobicContact CZ-CD2 3.88Å; F156-F453 HydrophobicContact CZ-CE1 4.26Å; F156-F453 AromaticContact CZ-CE2 3.57Å; F156-F453 HydrophobicContact CZ-CE2 3.57Å; F156-F453 HydrophobicContact CZ-CG 4.35Å; F156-F453 AromaticContact CZ-CZ 3.78Å; F156-F453 HydrophobicContact CZ-CZ 3.78Å; I191-F453 HydrophobicContact CG2-CE1 4.38Å; I191-F453 HydrophobicContact CG2-CZ 3.87Å; I192-F453 HydrophobicContact CD1-CE1 4.29Å; I192-F453 HydrophobicContact CD1-CZ 4.01Å; T195-F453 HydrophobicContact CG2-CE2 4.15Å; T195-F453 HydrophobicContact CG2-CZ 4.44Å; T195-F453 WeakPolarHBondContact OG1-CE2 3.41Å; T195-F453 WeakPolarHBondContact OG1-CZ 3.43Å; G450-F453 WeakPolarHBondContact O-CB 3.47Å; G450-F453 PolarHBondContact O-N 3.32Å; G450-F453 VanDerWaalsContact O-N 3.1Å; F453-M455 PolarHBondContact O-N 2.9Å; F453-I456 PolarHBondContact O-N 3Å; F453-E457 HydrophobicContact CE1-CB 4.41Å; F453-E457 WeakPolarHBondContact CE1-OE2 3.24Å; F453-E457 WeakPolarHBondContact O-CB 3.4Å; F453-E457 PolarHBondContact O-N 3.13Å
454A96.5Very high93.5Very high6 Ų623.9 Ų23.95%0.0513%0.128CC..Hα-helixtrans-58-48.3179.900000112.1T314 F441 G450 I456 E457 E458T314-A454 HydrophobicContact CG2-CB 3.72Å; F441-A454 HydrophobicContact CE1-CB 3.98Å; F441-A454 HydrophobicContact CZ-CB 4.27Å; G450-A454 PolarHBondContact O-N 3.24Å; A454-I456 VanDerWaalsContact C-N 3.3Å; A454-I456 PolarHBondContact O-N 2.9Å; A454-E457 PolarHBondContact O-N 3.07Å; A454-E458 WeakPolarHBondContact O-CB 3.09Å; A454-E458 VanDerWaalsContact O-CG 3.26Å; A454-E458 WeakPolarHBondContact O-CG 3.41Å; A454-E458 PolarHBondContact O-N 3.46Å
455M97.9Very high94.3Very high23 Ų2322.8 Ų22.811%0.11312%0.117CC..Hα-helixtrans-63-35179.3-69.3-60.5-50.300112.9E362 I365 L369 F441 Q451 R452 F453 K459E362-M455 HydrophobicContact CG-CE 3.77Å; I365-M455 HydrophobicContact CB-CE 4.26Å; I365-M455 HydrophobicContact CG2-CE 3.66Å; I365-M455 HydrophobicContact CG2-SD 3.93Å; L369-M455 HydrophobicContact CD1-SD 4.23Å; F441-M455 HydrophobicContact CE2-CG 4.25Å; F441-M455 HydrophobicContact CE2-SD 3.96Å; F441-M455 HydrophobicContact CZ-CG 4.26Å; F441-M455 HydrophobicContact CZ-SD 4.05Å; Q451-M455 WeakPolarHBondContact O-CG 3.35Å; Q451-M455 PolarHBondContact O-N 3.13Å; Q451-M455 VanDerWaalsContact O-N 3.14Å; R452-M455 PolarHBondContact O-N 3.23Å; F453-M455 PolarHBondContact O-N 2.9Å; M455-K459 WeakPolarHBondContact O-CB 3.49Å; M455-K459 WeakPolarHBondContact O-CD 3.42Å; M455-K459 WeakPolarHBondContact O-CG 3.47Å; M455-K459 PolarHBondContact O-N 3.26Å
456I97.5Very high95.1Very high19 Ų1921.1 Ų21.110%0.09710%0.103CC..Hα-helixtrans-73.1-47.9177.5-66.9165.6000109.9L149 V153 F156 F352 L355 R452 F453 A454 K459 V460L149-I456 HydrophobicContact CB-CD1 3.91Å; L149-I456 HydrophobicContact CD1-CD1 3.97Å; V153-I456 HydrophobicContact CG2-CG2 3.79Å; F156-I456 HydrophobicContact CD2-CG2 3.73Å; F156-I456 HydrophobicContact CE2-CB 4.1Å; F156-I456 HydrophobicContact CE2-CG2 3.46Å; F156-I456 VanDerWaalsContact CE2-CG2 3.46Å; F352-I456 HydrophobicContact CE2-CD1 3.79Å; F352-I456 HydrophobicContact CE2-CG1 4.46Å; F352-I456 HydrophobicContact CZ-CD1 4.31Å; L355-I456 HydrophobicContact CD1-CB 4.46Å; L355-I456 HydrophobicContact CD1-CG2 3.58Å; R452-I456 WeakPolarHBondContact O-CB 3.13Å; R452-I456 WeakPolarHBondContact O-CD1 3.37Å; R452-I456 WeakPolarHBondContact O-CG1 3.28Å; R452-I456 PolarHBondContact O-N 2.93Å; F453-I456 PolarHBondContact O-N 3Å; A454-I456 VanDerWaalsContact C-N 3.3Å; A454-I456 PolarHBondContact O-N 2.9Å; I456-K459 PolarHBondContact O-N 3.29Å; I456-V460 WeakPolarHBondContact O-CG2 3.48Å; I456-V460 PolarHBondContact O-N 3.39Å
457E97.7Very high95.8Very high0 Ų020.4 Ų20.40%010%0.101CC..Hα-helixtrans-55.1-53176.9178.9-175.7-157.500111.1F156 I191 T314 F453 A454 K459 V460 I461F156-E457 HydrophobicContact CE1-CB 4.32Å; F156-E457 HydrophobicContact CE2-CB 4.31Å; F156-E457 HydrophobicContact CZ-CB 4.19Å; I191-E457 HydrophobicContact CD1-CG 4.18Å; I191-E457 HydrophobicContact CG2-CG 4.38Å; I191-E457 WeakPolarHBondContact CG2-OE1 3.33Å; T314-E457 WeakPolarHBondContact CB-OE2 3.43Å; T314-E457 WeakPolarHBondContact CG2-OE2 2.98Å; T314-E457 PolarHBondContact OG1-OE2 3.08Å; F453-E457 HydrophobicContact CE1-CB 4.41Å; F453-E457 WeakPolarHBondContact CE1-OE2 3.24Å; F453-E457 WeakPolarHBondContact O-CB 3.4Å; F453-E457 PolarHBondContact O-N 3.13Å; A454-E457 PolarHBondContact O-N 3.07Å; E457-K459 VanDerWaalsContact C-N 3.33Å; E457-K459 PolarHBondContact O-N 3.4Å; E457-V460 PolarHBondContact O-N 2.82Å; E457-I461 HydrophobicContact CG-CD1 3.6Å; E457-I461 HydrophobicContact CG-CG1 4.49Å; E457-I461 WeakPolarHBondContact O-CG1 3.46Å; E457-I461 PolarHBondContact O-N 2.86Å
458E98.7Very high96.2Very high4 Ų418.1 Ų18.12%0.0199%0.088CC..Hα-helixtrans-59.3-43179.7-70.7-176.8-14700111.3A317 M318 I365 A454 L462A317-E458 WeakPolarHBondContact CB-OE1 3Å; M318-E458 HydrophobicContact CG-CB 4.32Å; M318-E458 HydrophobicContact CG-CG 3.84Å; M318-E458 HydrophobicContact SD-CG 4.45Å; I365-E458 HydrophobicContact CD1-CB 4.07Å; I365-E458 WeakPolarHBondContact CG2-OE2 3.41Å; A454-E458 WeakPolarHBondContact O-CB 3.09Å; A454-E458 VanDerWaalsContact O-CG 3.26Å; A454-E458 WeakPolarHBondContact O-CG 3.41Å; A454-E458 PolarHBondContact O-N 3.46Å; E458-L462 HydrophobicContact CB-CD1 4.35Å; E458-L462 WeakPolarHBondContact O-CB 3.04Å; E458-L462 WeakPolarHBondContact O-CD1 3.43Å; E458-L462 WeakPolarHBondContact O-CG 3.39Å; E458-L462 PolarHBondContact O-N 3.44Å
459K98.8Very high96.5Very high8 Ų816 Ų164%0.0357%0.074CC..Hα-helixtrans-64.5-45.4177.9-72.8175.581.5157.20112.1L355 M358 E362 I365 M455 I456 E457 S463L355-K459 HydrophobicContact CD2-CB 3.99Å; L355-K459 WeakPolarHBondContact O-CE 3.27Å; L355-K459 PolarHBondContact O-NZ 3.27Å; M358-K459 VanDerWaalsContact CB-CE 3.44Å; M358-K459 VanDerWaalsContact O-CE 3.32Å; M358-K459 WeakPolarHBondContact O-CE 3.46Å; M358-K459 PolarHBondContact O-NZ 3.15Å; M358-K459 HydrophobicContact SD-CB 4.19Å; E362-K459 HydrophobicContact CB-CD 4.38Å; E362-K459 IonicContact OE2-NZ 3.11Å; E362-K459 PolarHBondContact OE2-NZ 2.76Å; I365-K459 HydrophobicContact CD1-CG 3.58Å; M455-K459 WeakPolarHBondContact O-CB 3.49Å; M455-K459 WeakPolarHBondContact O-CD 3.42Å; M455-K459 WeakPolarHBondContact O-CG 3.47Å; M455-K459 PolarHBondContact O-N 3.26Å; I456-K459 PolarHBondContact O-N 3.29Å; E457-K459 VanDerWaalsContact C-N 3.33Å; E457-K459 PolarHBondContact O-N 3.4Å; K459-S463 WeakPolarHBondContact O-CB 3.47Å; K459-S463 PolarHBondContact O-N 3.29Å; K459-S463 PolarHBondContact O-OG 3.17Å; K459-S463 VanDerWaalsContact O-OG 3.1Å
460V98.7Very high96.9Very high0 Ų019.1 Ų19.10%08%0.084CC..Hα-helixtrans-61.1-54.6178.8174.10000110.2V153 F156 L355 I456 E457 L462 S463 W464V153-V460 HydrophobicContact CG1-CG2 4.27Å; F156-V460 HydrophobicContact CB-CB 3.9Å; F156-V460 HydrophobicContact CB-CG1 3.64Å; F156-V460 HydrophobicContact CB-CG2 4.13Å; F156-V460 HydrophobicContact CD2-CG2 4.22Å; L355-V460 HydrophobicContact CD1-CG2 3.94Å; L355-V460 HydrophobicContact CD2-CG2 3.75Å; L355-V460 HydrophobicContact CG-CG2 4.43Å; I456-V460 WeakPolarHBondContact O-CG2 3.48Å; I456-V460 PolarHBondContact O-N 3.39Å; E457-V460 PolarHBondContact O-N 2.82Å; V460-L462 PolarHBondContact O-N 3.35Å; V460-S463 PolarHBondContact O-N 3.35Å; V460-S463 PolarHBondContact O-OG 3.3Å; V460-W464 VanDerWaalsContact O-CD1 3.31Å; V460-W464 PolarHBondContact O-N 3.21Å
461I98.7Very high97.3Very high0 Ų018.6 Ų18.60%08%0.078CC..Hα-helixtrans-63.9-45.9-175.3-62.1166.7000111.2S160 L163 I191 M318 E457 S463 W464 I465S160-I461 WeakPolarHBondContact OG-CG1 3.44Å; L163-I461 HydrophobicContact CD2-CG2 3.79Å; I191-I461 HydrophobicContact CD1-CD1 3.55Å; I191-I461 HydrophobicContact CD1-CG1 4.1Å; M318-I461 HydrophobicContact CE-CD1 3.62Å; M318-I461 HydrophobicContact SD-CB 3.75Å; M318-I461 HydrophobicContact SD-CD1 3.66Å; M318-I461 HydrophobicContact SD-CG1 4.32Å; M318-I461 HydrophobicContact SD-CG2 3.69Å; E457-I461 HydrophobicContact CG-CD1 3.6Å; E457-I461 HydrophobicContact CG-CG1 4.49Å; E457-I461 WeakPolarHBondContact O-CG1 3.46Å; E457-I461 PolarHBondContact O-N 2.86Å; I461-S463 VanDerWaalsContact C-N 3.35Å; I461-S463 PolarHBondContact O-N 3.37Å; I461-W464 WeakPolarHBondContact O-CB 3.1Å; I461-W464 PolarHBondContact O-N 3.41Å; I461-I465 HydrophobicContact CG2-CD1 4.04Å; I461-I465 WeakPolarHBondContact O-CG1 3.36Å; I461-I465 PolarHBondContact O-N 3.04Å
462L98.8Very high97.5Very high0 Ų017.4 Ų17.40%08%0.076CC..Hα-helixtrans-68.3-35-179.4-65.2171000111.8M318 F321 L322 L361 I365 E458 V460 I465 L466M318-L462 HydrophobicContact CB-CD2 4.27Å; M318-L462 HydrophobicContact CG-CD1 4.31Å; M318-L462 HydrophobicContact CG-CD2 4.23Å; M318-L462 HydrophobicContact CG-CG 4.18Å; F321-L462 HydrophobicContact CB-CD1 4.22Å; F321-L462 HydrophobicContact CD1-CD1 3.57Å; F321-L462 HydrophobicContact CD1-CD2 3.43Å; F321-L462 VanDerWaalsContact CD1-CD2 3.43Å; F321-L462 HydrophobicContact CD1-CG 4.04Å; F321-L462 HydrophobicContact CD2-CD1 3.75Å; F321-L462 HydrophobicContact CE1-CB 4.25Å; F321-L462 HydrophobicContact CE1-CD1 3.78Å; F321-L462 HydrophobicContact CE1-CD2 3.79Å; F321-L462 HydrophobicContact CE1-CG 4.15Å; F321-L462 HydrophobicContact CE2-CD1 3.94Å; F321-L462 HydrophobicContact CG-CD1 3.57Å; F321-L462 HydrophobicContact CG-CD2 4.14Å; F321-L462 HydrophobicContact CG-CG 4.49Å; F321-L462 HydrophobicContact CZ-CD1 3.98Å; L322-L462 HydrophobicContact CD1-CD2 4.27Å; L322-L462 HydrophobicContact CD2-CD2 3.81Å; L322-L462 HydrophobicContact CG-CD2 3.83Å; L361-L462 HydrophobicContact CD1-CB 4.26Å; I365-L462 HydrophobicContact CD1-CD1 3.99Å; I365-L462 HydrophobicContact CG1-CD1 3.85Å; E458-L462 HydrophobicContact CB-CD1 4.35Å; E458-L462 WeakPolarHBondContact O-CB 3.04Å; E458-L462 WeakPolarHBondContact O-CD1 3.43Å; E458-L462 WeakPolarHBondContact O-CG 3.39Å; E458-L462 PolarHBondContact O-N 3.44Å; V460-L462 PolarHBondContact O-N 3.35Å; L462-I465 PolarHBondContact O-N 3.44Å; L462-L466 WeakPolarHBondContact O-CB 3.38Å; L462-L466 WeakPolarHBondContact O-CG 3.22Å; L462-L466 PolarHBondContact O-N 3.35Å
463S98.4Very high97.6Very high0 Ų011 Ų110%05%0.054CC..Hα-helixtrans-64.3-40.3173.774.60000111.7K459 V460 I461 R467K459-S463 WeakPolarHBondContact O-CB 3.47Å; K459-S463 PolarHBondContact O-N 3.29Å; K459-S463 PolarHBondContact O-OG 3.17Å; K459-S463 VanDerWaalsContact O-OG 3.1Å; V460-S463 PolarHBondContact O-N 3.35Å; V460-S463 PolarHBondContact O-OG 3.3Å; I461-S463 VanDerWaalsContact C-N 3.35Å; I461-S463 PolarHBondContact O-N 3.37Å; S463-R467 WeakPolarHBondContact O-CB 3.26Å; S463-R467 WeakPolarHBondContact O-CG 3.24Å; S463-R467 PolarHBondContact O-N 3.24Å
464W97.6Very high97.8Very high0 Ų014.1 Ų14.10%07%0.071CC..Hα-helixtrans-59.8-51.2172.1-90.1106.1000111.1N157 R161 L164 D347 D349 V460 I461 L466 R467 F468 I506N157-W464 PolarHBondContact OD1-NE1 2.8Å; R161-W464 HydrophobicContact CG-CH2 3.9Å; R161-W464 HydrophobicContact CG-CZ2 3.98Å; R161-W464 HydrophobicContact CG-CZ3 4.34Å; L164-W464 HydrophobicContact CD1-CB 4.2Å; L164-W464 HydrophobicContact CD2-CB 3.69Å; L164-W464 HydrophobicContact CD2-CD2 3.89Å; L164-W464 HydrophobicContact CD2-CE3 3.24Å; L164-W464 HydrophobicContact CD2-CG 4.12Å; L164-W464 HydrophobicContact CD2-CZ3 4.12Å; D347-W464 WeakPolarHBondContact O-CH2 3.21Å; D349-W464 VanDerWaalsContact OD1-CZ2 3.29Å; D349-W464 WeakPolarHBondContact OD1-CZ2 3.17Å; V460-W464 VanDerWaalsContact O-CD1 3.31Å; V460-W464 PolarHBondContact O-N 3.21Å; I461-W464 WeakPolarHBondContact O-CB 3.1Å; I461-W464 PolarHBondContact O-N 3.41Å; W464-L466 PolarHBondContact O-N 2.96Å; W464-R467 VanDerWaalsContact CE3-NH2 3.34Å; W464-F468 AromaticContact CE3-CD2 3.92Å; W464-F468 HydrophobicContact CE3-CD2 3.92Å; W464-F468 AromaticContact CE3-CE2 3.38Å; W464-F468 HydrophobicContact CE3-CE2 3.38Å; W464-F468 HydrophobicContact CE3-CZ 4.33Å; W464-F468 HydrophobicContact CZ3-CD2 4.27Å; W464-F468 AromaticContact CZ3-CE2 3.4Å; W464-F468 HydrophobicContact CZ3-CE2 3.4Å; W464-F468 VanDerWaalsContact CZ3-CE2 3.4Å; W464-F468 AromaticContact CZ3-CZ 3.92Å; W464-F468 HydrophobicContact CZ3-CZ 3.92Å; W464-F468 VanDerWaalsContact O-CD2 3.28Å; W464-F468 WeakPolarHBondContact O-CD2 3.44Å; W464-I506 HydrophobicContact CZ3-CD1 4.2Å
465I98Very high97.7Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-59.1-48.4-179.4-67168.9000111.6L163 L164 V184 L322 I461 L462 F468 F469 V471 F498L163-I465 HydrophobicContact CD2-CD1 4.15Å; L164-I465 HydrophobicContact CD1-CG1 3.83Å; V184-I465 HydrophobicContact CG2-CD1 4.47Å; L322-I465 HydrophobicContact CD1-CD1 3.88Å; L322-I465 HydrophobicContact CD2-CD1 4.44Å; L322-I465 HydrophobicContact CD2-CG2 3.96Å; I461-I465 HydrophobicContact CG2-CD1 4.04Å; I461-I465 WeakPolarHBondContact O-CG1 3.36Å; I461-I465 PolarHBondContact O-N 3.04Å; L462-I465 PolarHBondContact O-N 3.44Å; I465-F468 PolarHBondContact O-N 2.87Å; I465-F469 WeakPolarHBondContact O-CB 3.37Å; I465-F469 PolarHBondContact O-N 3.43Å; I465-V471 HydrophobicContact CG2-CG2 3.88Å; I465-F498 HydrophobicContact CG2-CD1 4.48Å; I465-F498 HydrophobicContact CG2-CE1 3.8Å
466L98.2Very high97.4Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-82.3-19.2-170.6-67179.6000115F321 Q332 I335 H336 L339 L462 W464 V471 R501F321-L466 HydrophobicContact CE1-CD1 3.81Å; F321-L466 HydrophobicContact CZ-CD1 4.09Å; Q332-L466 HydrophobicContact CG-CD2 4.39Å; I335-L466 HydrophobicContact CB-CD1 4.35Å; I335-L466 HydrophobicContact CD1-CD1 4.17Å; I335-L466 HydrophobicContact CG2-CD1 3.56Å; H336-L466 PolarHBondContact CD2-O 2.96Å; H336-L466 VanDerWaalsContact CD2-O 3.22Å; H336-L466 PolarHBondContact NE2-O 3.38Å; L339-L466 HydrophobicContact CD1-CB 3.74Å; L462-L466 WeakPolarHBondContact O-CB 3.38Å; L462-L466 WeakPolarHBondContact O-CG 3.22Å; L462-L466 PolarHBondContact O-N 3.35Å; W464-L466 PolarHBondContact O-N 2.96Å; L466-V471 HydrophobicContact CD2-CG2 4.06Å; L466-R501 PolarHBondContact O-NH1 2.85Å
467R96.3Very high96.9Very high1 Ų123.2 Ų23.20%0.00411%0.105CC..Hα-helixtrans-63.3-46.3167.8-78.9-173.5-59.9162.8-1.7110.9L339 F343 R348 S463 W464 R501L339-R467 HydrophobicContact CB-CG 4.07Å; L339-R467 HydrophobicContact CD1-CG 4.21Å; F343-R467 VanDerWaalsContact CD1-NH1 3.26Å; F343-R467 HydrophobicContact CD2-CG 4.37Å; R348-R467 PolarHBondContact O-NH1 3.34Å; R348-R467 PolarHBondContact O-NH2 3.49Å; S463-R467 WeakPolarHBondContact O-CB 3.26Å; S463-R467 WeakPolarHBondContact O-CG 3.24Å; S463-R467 PolarHBondContact O-N 3.24Å; W464-R467 VanDerWaalsContact CE3-NH2 3.34Å; R467-R501 PolarHBondContact O-NH1 2.91Å
468F96Very high96.3Very high2 Ų228.2 Ų28.21%0.00913%0.131CC..Hα-helixtrans-95.2-22.2-171.7-62.9-79.8000114.3L164 D347 W464 I465 R500 R501 Q502 P503 L504L164-F468 HydrophobicContact CD2-CD2 3.88Å; L164-F468 HydrophobicContact CD2-CE2 4.44Å; D347-F468 HydrophobicContact CB-CE1 4.03Å; D347-F468 HydrophobicContact CB-CZ 3.66Å; W464-F468 AromaticContact CE3-CD2 3.92Å; W464-F468 HydrophobicContact CE3-CD2 3.92Å; W464-F468 AromaticContact CE3-CE2 3.38Å; W464-F468 HydrophobicContact CE3-CE2 3.38Å; W464-F468 HydrophobicContact CE3-CZ 4.33Å; W464-F468 HydrophobicContact CZ3-CD2 4.27Å; W464-F468 AromaticContact CZ3-CE2 3.4Å; W464-F468 HydrophobicContact CZ3-CE2 3.4Å; W464-F468 VanDerWaalsContact CZ3-CE2 3.4Å; W464-F468 AromaticContact CZ3-CZ 3.92Å; W464-F468 HydrophobicContact CZ3-CZ 3.92Å; W464-F468 VanDerWaalsContact O-CD2 3.28Å; W464-F468 WeakPolarHBondContact O-CD2 3.44Å; I465-F468 PolarHBondContact O-N 2.87Å; F468-R500 WeakPolarHBondContact O-CA 3.16Å; F468-R501 PolarHBondContact O-N 3.18Å; F468-Q502 HydrophobicContact CD1-CB 4.08Å; F468-Q502 HydrophobicContact CE1-CB 4.41Å; F468-P503 WeakPolarHBondContact CE1-O 3.5Å; F468-L504 HydrophobicContact CB-CD1 3.95Å; F468-L504 HydrophobicContact CD1-CB 4.26Å; F468-L504 HydrophobicContact CD1-CD1 3.38Å; F468-L504 HydrophobicContact CD1-CG 4.43Å; F468-L504 HydrophobicContact CD2-CD1 3.72Å; F468-L504 HydrophobicContact CE1-CD1 3.76Å; F468-L504 HydrophobicContact CE2-CD1 4.13Å; F468-L504 HydrophobicContact CG-CD1 3.36Å; F468-L504 HydrophobicContact CZ-CD1 4.13Å
469F96.9Very high95.7Very high1 Ų132.5 Ų32.50%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-131.1137.5-176.2-60.4-79.6000113.1L164 I167 D168 V171 I465 F498 E499 R500L164-F469 HydrophobicContact CG-CE2 4.34Å; I167-F469 HydrophobicContact CG2-CD2 4.34Å; I167-F469 HydrophobicContact CG2-CE1 4.39Å; I167-F469 HydrophobicContact CG2-CE2 3.98Å; I167-F469 HydrophobicContact CG2-CZ 4.01Å; D168-F469 HydrophobicContact CB-CZ 4.04Å; V171-F469 HydrophobicContact CG2-CE1 4.15Å; I465-F469 WeakPolarHBondContact O-CB 3.37Å; I465-F469 PolarHBondContact O-N 3.43Å; F469-F498 HydrophobicContact CB-CB 4.33Å; F469-F498 HydrophobicContact CB-CD1 3.77Å; F469-F498 HydrophobicContact CD1-CB 3.84Å; F469-F498 HydrophobicContact CD1-CD1 4.4Å; F469-F498 HydrophobicContact CD2-CD1 4.34Å; F469-F498 HydrophobicContact CE1-CB 4.46Å; F469-F498 HydrophobicContact CG-CB 4.21Å; F469-F498 AromaticContact CG-CD1 3.93Å; F469-F498 HydrophobicContact CG-CD1 3.93Å; F469-E499 CarbonylContact C-O 3.53Å; F469-E499 VanDerWaalsContact CA-O 3.3Å; F469-E499 WeakPolarHBondContact CA-O 3.42Å; F469-R500 HydrophobicContact CD1-CG 4.32Å; F469-R500 HydrophobicContact CE1-CG 3.89Å
470R98Very high95.2Very high90 Ų9032.4 Ų32.434%0.3415%0.152SC..EExtended strand (participates in β ladder)trans-80.8126.4154.8178.7179.2-65-80.81.4107.5Q332 F498 E499 R501Q332-R470 VanDerWaalsContact OE1-CA 3.3Å; R470-F498 WeakPolarHBondContact O-CA 3.27Å; R470-E499 HydrophobicContact CB-CB 4.36Å; R470-E499 PolarHBondContact N-O 3.24Å; R470-E499 PolarHBondContact O-N 2.97Å; R470-R501 HydrophobicContact CB-CG 4.14Å
471V98.2Very high94.5Very high1 Ų135.9 Ų35.91%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-104.1131.8-179.4-174.80000109L322 G326 Q332 I465 L466 M496 K497 F498L322-V471 HydrophobicContact CD2-CG2 4.33Å; G326-V471 WeakPolarHBondContact CA-O 3.22Å; Q332-V471 PolarHBondContact NE2-O 3.38Å; Q332-V471 PolarHBondContact OE1-O 3.17Å; I465-V471 HydrophobicContact CG2-CG2 3.88Å; L466-V471 HydrophobicContact CD2-CG2 4.06Å; V471-M496 HydrophobicContact CG1-CB 4.11Å; V471-M496 HydrophobicContact CG1-CG 4.39Å; V471-M496 HydrophobicContact CG1-SD 3.83Å; V471-K497 WeakPolarHBondContact CA-O 3.37Å; V471-F498 HydrophobicContact CG1-CE1 4.31Å; V471-F498 HydrophobicContact CG1-CZ 4.26Å; V471-F498 HydrophobicContact CG2-CD1 3.75Å; V471-F498 HydrophobicContact CG2-CE1 3.58Å; V471-F498 HydrophobicContact CG2-CZ 4.33Å
472T98.3Very high93.8Very high54 Ų5436.3 Ų36.333%0.33117%0.171SC..EExtended strand (participates in β ladder)trans-121.3123.5172.4-60.60000109.1M496 K497T472-M496 CarbonylContact O-C 3.55Å; T472-M496 WeakPolarHBondContact O-CA 3.37Å; T472-K497 PolarHBondContact N-O 3.48Å; T472-K497 PolarHBondContact O-N 3.43Å
473S97.3Very high92.7Very high12 Ų1239 Ų398%0.08418%0.183CC..EExtended strand (participates in β ladder)trans-75.5126.5172.7178.40000109.4H323 G326 C327 P475H323-S473 PolarHBondContact CE1-OG 3.36Å; H323-S473 VanDerWaalsContact CE1-OG 3.31Å; H323-S473 PolarHBondContact ND1-OG 2.93Å; G326-S473 PolarHBondContact O-N 2.85Å; C327-S473 VanDerWaalsContact SG-CB 3.54Å; S473-P475 WeakPolarHBondContact OG-CD 3.34Å; S473-P475 PolarHBondContact OG-O 2.92Å
474L96.8Very high91.1Very high76 Ų7639.6 Ų39.640%0.39819%0.188SC..SBendtrans-70.8-45.7176-57.6-175.8000112.8K177 L495 K497K177-L474 HydrophobicContact CB-CD1 4.16Å; K177-L474 HydrophobicContact CD-CD1 4.34Å; K177-L474 HydrophobicContact CG-CD1 3.64Å; L474-L495 WeakPolarHBondContact CB-O 3.38Å; L474-L495 HydrophobicContact CD1-CB 3.87Å; L474-L495 HydrophobicContact CG-CB 4.48Å; L474-L495 WeakPolarHBondContact CG-O 3.45Å; L474-L495 PolarHBondContact N-O 3.34Å; L474-K497 HydrophobicContact CD2-CB 4.15Å
475P94.3Very high89.9Confident25 Ų2540.6 Ų40.616%0.16219%0.193CC..SBendtrans-74.7143.1168.931.2-34.3000109.8H323 S473 Q479 V480 V494 L495H323-P475 PolarHBondContact CE1-O 2.87Å; S473-P475 WeakPolarHBondContact OG-CD 3.34Å; S473-P475 PolarHBondContact OG-O 2.92Å; P475-Q479 HydrophobicContact CB-CB 4.38Å; P475-V480 HydrophobicContact CB-CG2 3.68Å; P475-V480 HydrophobicContact CG-CG2 3.63Å; P475-V494 HydrophobicContact CG-CG1 3.91Å; P475-L495 VanDerWaalsContact CD-O 3.27Å; P475-L495 WeakPolarHBondContact CD-O 3.44Å
476R92Very high88.7Confident139 Ų13941.3 Ų41.353%0.52520%0.196SC..  trans-70.2157.6168.3-59.7-169.4-51-90.1-0.4110.3D478 Q479R476-D478 VanDerWaalsContact C-N 3.26Å; R476-D478 WeakPolarHBondContact CB-OD1 3.35Å; R476-D478 IonicContact CZ-OD1 2.79Å; R476-D478 IonicContact CZ-OD2 3.75Å; R476-D478 IonicContact NE-OD1 3.6Å; R476-D478 PolarHBondContact NE-OD1 2.88Å; R476-D478 IonicContact NE-OD2 3Å; R476-D478 IonicContact NH2-OD1 2.95Å; R476-D478 IonicContact NH2-OD2 2.87Å; R476-D478 PolarHBondContact NH2-OD2 2.91Å; R476-D478 PolarHBondContact O-N 2.97Å; R476-Q479 HydrophobicContact CB-CG 4.19Å; R476-Q479 WeakPolarHBondContact O-CB 3.39Å; R476-Q479 PolarHBondContact O-N 3.42Å
477R87.8Confident87.9Confident75 Ų7541.5 Ų41.528%0.28320%0.197SC..G310 helixtrans-51.8-41.3177.7-176.8-177.4174.6178.82.8113.9L324 E418 F420 Q479 V480L324-R477 HydrophobicContact CD2-CG 4.03Å; E418-R477 PolarHBondContact O-NH1 2.83Å; E418-R477 PolarHBondContact O-NH2 3.32Å; F420-R477 VanDerWaalsContact CB-NH1 3.29Å; R477-Q479 PolarHBondContact O-N 3.32Å; R477-V480 PolarHBondContact O-N 2.9Å
478D85.3Confident87.5Confident105 Ų10541.5 Ų41.556%0.56120%0.197SC*.G310 helixtrans-71.6-13.1-179.363.3-47.6000113.6R476R476-D478 VanDerWaalsContact C-N 3.26Å; R476-D478 WeakPolarHBondContact CB-OD1 3.35Å; R476-D478 IonicContact CZ-OD1 2.79Å; R476-D478 IonicContact CZ-OD2 3.75Å; R476-D478 IonicContact NE-OD1 3.6Å; R476-D478 PolarHBondContact NE-OD1 2.88Å; R476-D478 IonicContact NE-OD2 3Å; R476-D478 IonicContact NH2-OD1 2.95Å; R476-D478 IonicContact NH2-OD2 2.87Å; R476-D478 PolarHBondContact NH2-OD2 2.91Å; R476-D478 PolarHBondContact O-N 2.97Å
479Q86.4Confident87Confident94 Ų9443.2 Ų43.244%0.43920%0.204SC..G310 helixtrans-91.5-18.2180-60.6178.8-55.200112.7P475 R476 R477P475-Q479 HydrophobicContact CB-CB 4.38Å; R476-Q479 HydrophobicContact CB-CG 4.19Å; R476-Q479 WeakPolarHBondContact O-CB 3.39Å; R476-Q479 PolarHBondContact O-N 3.42Å; R477-Q479 PolarHBondContact O-N 3.32Å
480V87.6Confident86.5Confident6 Ų643.7 Ų43.74%0.03621%0.207CC..  trans-104.2102.1-178.2-171.30000109.6W320 H323 P475 R477 P490 V494W320-V480 HydrophobicContact CH2-CG1 3.71Å; W320-V480 HydrophobicContact CZ3-CB 4.33Å; W320-V480 HydrophobicContact CZ3-CG1 3.67Å; H323-V480 WeakPolarHBondContact CE1-CG2 3.44Å; P475-V480 HydrophobicContact CB-CG2 3.68Å; P475-V480 HydrophobicContact CG-CG2 3.63Å; R477-V480 PolarHBondContact O-N 2.9Å; V480-P490 HydrophobicContact CG1-CB 3.7Å; V480-P490 HydrophobicContact CG1-CG 4.43Å; V480-V494 HydrophobicContact CG1-CG2 3.71Å; V480-V494 HydrophobicContact CG2-CG2 4.15Å
481M84.2Confident85.7Confident73 Ų7339.5 Ų39.536%0.3619%0.192SC..PPolyproline II helixtrans-94.2148.1179-65.3-61.5-68.100110.6I60 P490 S491I60-M481 HydrophobicContact CG2-CE 4.28Å; M481-P490 CarbonylContact O-C 2.9Å; M481-S491 PolarHBondContact N-OG 3.41Å; M481-S491 WeakPolarHBondContact O-CA 3.19Å; M481-S491 WeakPolarHBondContact O-CB 3.44Å; M481-S491 PolarHBondContact O-N 3.35Å; M481-S491 PolarHBondContact O-OG 2.8Å
482P83.7Confident84.9Confident8 Ų844.4 Ų44.45%0.05221%0.214CC..BIsolated β-bridgetrans-73.2136.6171.828.3-32.1000111.3W320 F372 Y405 L488W320-P482 HydrophobicContact CH2-CB 4.49Å; W320-P482 HydrophobicContact CZ2-CB 4.11Å; F372-P482 HydrophobicContact CD1-CB 4.41Å; F372-P482 HydrophobicContact CE1-CB 4.45Å; F372-P482 HydrophobicContact CE1-CG 4.28Å; Y405-P482 HydrophobicContact CE2-CG 4.19Å; P482-L488 HydrophobicContact CB-CD1 3.68Å; P482-L488 HydrophobicContact CB-CD2 4.09Å; P482-L488 HydrophobicContact CB-CG 3.72Å
483K75Confident84.4Confident56 Ų5646.1 Ų46.124%0.24323%0.225CC..PPolyproline II helixtrans-84125.5165.1-85165.9177.4161.30109E485 R489 S491K483-E485 PolarHBondContact O-N 2.86Å; K483-R489 PolarHBondContact N-O 3.4Å; K483-S491 WeakPolarHBondContact CE-O 3.32Å; K483-S491 PolarHBondContact NZ-O 3.44Å; K483-S491 VanDerWaalsContact CE-CA 3.5Å
484A66Low84.2Confident14 Ų1445.6 Ų45.612%0.11622%0.221CC..  trans-75.877.1172.400000111.1V59 Y61V59-A484 HydrophobicContact CB-CB 3.85Å; V59-A484 HydrophobicContact CG1-CB 3.64Å; V59-A484 WeakPolarHBondContact O-CB 3.43Å; V59-A484 PolarHBondContact O-N 2.89Å; Y61-A484 HydrophobicContact CD1-CB 4.3Å; Y61-A484 HydrophobicContact CD2-CB 3.78Å; Y61-A484 HydrophobicContact CE1-CB 4Å; Y61-A484 HydrophobicContact CE2-CB 3.41Å; Y61-A484 VanDerWaalsContact CE2-CB 3.41Å; Y61-A484 HydrophobicContact CG-CB 4.21Å
485E71.5Confident84.2Confident21 Ų2144.7 Ų44.710%0.09822%0.216CC..SBendtrans-103.9175.6167.5-80.2167.1-154.600109.6H223 K227 K483 I487 R489H223-E485 HydrophobicContact CB-CG 4.27Å; H223-E485 IonicContact CG-OE2 2.94Å; H223-E485 IonicContact ND1-OE2 3.24Å; K227-E485 WeakPolarHBondContact CE-OE1 3.44Å; K227-E485 IonicContact NZ-OE1 3.47Å; K227-E485 PolarHBondContact NZ-OE1 2.85Å; K483-E485 PolarHBondContact O-N 2.86Å; E485-I487 VanDerWaalsContact CB-O 3.25Å; E485-I487 WeakPolarHBondContact CB-O 3.34Å; E485-I487 PolarHBondContact O-N 3.08Å; E485-R489 IonicContact OE2-NH1 2.72Å; E485-R489 PolarHBondContact OE2-NH1 3.39Å
486M72.6Confident84.3Confident15 Ų1543.5 Ų43.57%0.07421%0.208CC..SBendtrans-48.6-40.2169.2177.1-175.5-69.400111.5F113 C116 L120 I222 F308 P376F113-M486 HydrophobicContact CD1-CE 3.62Å; F113-M486 HydrophobicContact CE1-CE 3.65Å; F113-M486 HydrophobicContact CE1-CG 4.35Å; F113-M486 HydrophobicContact CE1-SD 4.47Å; C116-M486 HydrophobicContact CB-CE 4.47Å; C116-M486 VanDerWaalsContact SG-CE 3.51Å; L120-M486 HydrophobicContact CD1-CE 3.34Å; L120-M486 HydrophobicContact CD1-SD 3.99Å; I222-M486 HydrophobicContact CG2-CE 3.61Å; I222-M486 HydrophobicContact CG2-SD 4.13Å; F308-M486 HydrophobicContact CE1-SD 4.01Å; F308-M486 HydrophobicContact CZ-SD 3.87Å; P376-M486 WeakPolarHBondContact CD-O 3.29Å
487I82.3Confident84.5Confident4 Ų439.7 Ų39.72%0.02120%0.196CC..SBendtrans-110.3132.5170.9-57.4-53.9000109D312 T313 T316 S374 V375 E485 R489D312-I487 WeakPolarHBondContact OD2-CG1 3.42Å; T313-I487 HydrophobicContact CG2-CD1 3.77Å; T316-I487 HydrophobicContact CG2-CG2 3.86Å; T316-I487 WeakPolarHBondContact OG1-CG2 3.11Å; S374-I487 CarbonylContact O-C 3.35Å; S374-I487 VanDerWaalsContact O-CA 3.22Å; S374-I487 WeakPolarHBondContact O-CA 3.28Å; V375-I487 HydrophobicContact CG2-CD1 4.09Å; E485-I487 VanDerWaalsContact CB-O 3.25Å; E485-I487 WeakPolarHBondContact CB-O 3.34Å; E485-I487 PolarHBondContact O-N 3.08Å; I487-R489 VanDerWaalsContact C-N 3.28Å; I487-R489 HydrophobicContact CG2-CG 4.28Å; I487-R489 PolarHBondContact O-N 3.35Å
488L86.5Confident85Confident0 Ų036.5 Ų36.50%018%0.184CC..  trans-7672.6-173.8-16676.7000112Y61 T316 W320 F372 P373 S374 P376 Y405 P482Y61-L488 HydrophobicContact CD2-CD1 4.43Å; Y61-L488 HydrophobicContact CE2-CD1 3.83Å; T316-L488 WeakPolarHBondContact CG2-O 3.44Å; W320-L488 PolarHBondContact NE1-O 2.84Å; F372-L488 HydrophobicContact CB-CD2 4.08Å; F372-L488 HydrophobicContact CD1-CD2 4.05Å; P373-L488 WeakPolarHBondContact O-CB 3.48Å; S374-L488 PolarHBondContact O-N 2.89Å; P376-L488 HydrophobicContact CB-CB 4.3Å; P376-L488 HydrophobicContact CB-CD1 3.92Å; P376-L488 HydrophobicContact CG-CB 4.15Å; P376-L488 HydrophobicContact CG-CD1 4.05Å; Y405-L488 HydrophobicContact CD2-CD1 4.31Å; Y405-L488 HydrophobicContact CD2-CD2 3.61Å; Y405-L488 HydrophobicContact CE2-CD1 4.45Å; Y405-L488 HydrophobicContact CE2-CD2 3.79Å; P482-L488 HydrophobicContact CB-CD1 3.68Å; P482-L488 HydrophobicContact CB-CD2 4.09Å; P482-L488 HydrophobicContact CB-CG 3.72Å
489R86.2Confident85.5Confident39 Ų3935 Ų3515%0.14717%0.174CC..  trans-79156.7-178.2-65.5-165.3-174.9109.2-2.5113.3Y181 H223 D312 T316 K483 E485 I487Y181-R489 WeakPolarHBondContact OH-CD 3.36Å; Y181-R489 PolarHBondContact OH-NE 2.96Å; H223-R489 PolarHBondContact CD2-NH1 3.47Å; H223-R489 PolarHBondContact NE2-NH1 3.34Å; H223-R489 PolarHBondContact NE2-NH2 3.23Å; H223-R489 VanDerWaalsContact NE2-NH2 3.15Å; D312-R489 IonicContact OD1-CZ 3.98Å; D312-R489 IonicContact OD1-NE 3.07Å; D312-R489 IonicContact OD1-NH2 3.91Å; D312-R489 PolarHBondContact OD1-NH2 3.01Å; D312-R489 IonicContact OD2-CZ 2.7Å; D312-R489 IonicContact OD2-NH2 3.94Å; D312-R489 PolarHBondContact OD2-NH2 3.4Å; T316-R489 HydrophobicContact CG2-CG 4.42Å; K483-R489 PolarHBondContact N-O 3.4Å; E485-R489 IonicContact OE2-NH1 2.72Å; E485-R489 PolarHBondContact OE2-NH1 3.39Å; I487-R489 VanDerWaalsContact C-N 3.28Å; I487-R489 HydrophobicContact CG2-CG 4.28Å; I487-R489 PolarHBondContact O-N 3.35Å
490P87.4Confident85.9Confident11 Ų1136.1 Ų36.17%0.07117%0.174CC..BIsolated β-bridgetrans-56.9146.3166.7-27.737.2000113.6W320 V480 M481 E492 V494W320-P490 HydrophobicContact CD2-CG 4.32Å; W320-P490 HydrophobicContact CH2-CB 4.26Å; W320-P490 HydrophobicContact CH2-CG 4.15Å; W320-P490 HydrophobicContact CZ2-CB 4.19Å; W320-P490 HydrophobicContact CZ2-CG 3.8Å; V480-P490 HydrophobicContact CG1-CB 3.7Å; V480-P490 HydrophobicContact CG1-CG 4.43Å; M481-P490 CarbonylContact O-C 2.9Å; P490-E492 VanDerWaalsContact C-N 3.27Å; P490-E492 WeakPolarHBondContact CB-O 3.47Å; P490-E492 PolarHBondContact O-N 2.84Å; P490-V494 HydrophobicContact CB-CG2 3.79Å; P490-V494 HydrophobicContact CG-CG2 3.95Å
491S81Confident86.1Confident2 Ų239.2 Ų39.21%0.01419%0.185CC..SBendtrans-70.5-25.8-179.862.50000113.8M481 K483M481-S491 PolarHBondContact N-OG 3.41Å; M481-S491 WeakPolarHBondContact O-CA 3.19Å; M481-S491 WeakPolarHBondContact O-CB 3.44Å; M481-S491 PolarHBondContact O-N 3.35Å; M481-S491 PolarHBondContact O-OG 2.8Å; K483-S491 WeakPolarHBondContact CE-O 3.32Å; K483-S491 PolarHBondContact NZ-O 3.44Å; K483-S491 VanDerWaalsContact CE-CA 3.5Å
492E81.4Confident86.1Confident103 Ų10336.6 Ų36.648%0.48117%0.172SC..SBendtrans-133.8159.8179.3-52.1-62.1160.800107.8K58 P490 V494K58-E492 WeakPolarHBondContact CE-OE1 3.49Å; K58-E492 IonicContact NZ-OE1 2.88Å; K58-E492 PolarHBondContact NZ-OE1 3.02Å; P490-E492 VanDerWaalsContact C-N 3.27Å; P490-E492 WeakPolarHBondContact CB-O 3.47Å; P490-E492 PolarHBondContact O-N 2.84Å; E492-V494 PolarHBondContact O-N 2.93Å
493T88.2Confident85.7Confident90 Ų9041.6 Ų41.655%0.55220%0.204SC*.  trans-61123.4172.3-550000109.8N179 L495N179-T493 HydrophobicContact CB-CG2 4.25Å; N179-T493 WeakPolarHBondContact OD1-CG2 3.41Å; T493-L495 HydrophobicContact CG2-CD2 4Å; T493-L495 HydrophobicContact CG2-CG 4.47Å; T493-L495 PolarHBondContact O-N 3.5Å
494V91.3Very high85.5Confident1 Ų140.5 Ų40.51%0.00620%0.201CC..  trans-87.8101.8177.9-175.20000108.8H323 P475 V480 P490 E492 M496H323-V494 HydrophobicContact CB-CG1 3.99Å; P475-V494 HydrophobicContact CG-CG1 3.91Å; V480-V494 HydrophobicContact CG1-CG2 3.71Å; V480-V494 HydrophobicContact CG2-CG2 4.15Å; P490-V494 HydrophobicContact CB-CG2 3.79Å; P490-V494 HydrophobicContact CG-CG2 3.95Å; E492-V494 PolarHBondContact O-N 2.93Å; V494-M496 HydrophobicContact CB-CE 4.26Å; V494-M496 HydrophobicContact CG1-CE 3.6Å; V494-M496 HydrophobicContact CG1-CG 4.3Å
495L96.7Very high85.6Confident57 Ų5744 Ų4430%0.29822%0.224SC..EExtended strand (participates in β ladder)trans-83.9137.5174.9-60.4174.4000110.1K177 I178 N179 L474 P475 T493K177-L495 HydrophobicContact CB-CD1 4.32Å; I178-L495 WeakPolarHBondContact O-CA 3.45Å; N179-L495 HydrophobicContact CB-CD2 4.1Å; L474-L495 WeakPolarHBondContact CB-O 3.38Å; L474-L495 HydrophobicContact CD1-CB 3.87Å; L474-L495 HydrophobicContact CG-CB 4.48Å; L474-L495 WeakPolarHBondContact CG-O 3.45Å; L474-L495 PolarHBondContact N-O 3.34Å; P475-L495 VanDerWaalsContact CD-O 3.27Å; P475-L495 WeakPolarHBondContact CD-O 3.44Å; T493-L495 HydrophobicContact CG2-CD2 4Å; T493-L495 HydrophobicContact CG2-CG 4.47Å; T493-L495 PolarHBondContact O-N 3.5Å
496M96.5Very high85.1Confident0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-129.2150.7-178.2-56177.3-169.200110.9I178 T180 L322 H323 V471 T472 V494 F498I178-M496 PolarHBondContact N-O 3.48Å; I178-M496 PolarHBondContact O-N 3.41Å; T180-M496 HydrophobicContact CG2-SD 4.08Å; T180-M496 PolarHBondContact OG1-SD 3.12Å; L322-M496 HydrophobicContact CB-CE 3.71Å; L322-M496 HydrophobicContact CB-SD 3.63Å; H323-M496 HydrophobicContact CB-CE 4.09Å; V471-M496 HydrophobicContact CG1-CB 4.11Å; V471-M496 HydrophobicContact CG1-CG 4.39Å; V471-M496 HydrophobicContact CG1-SD 3.83Å; T472-M496 CarbonylContact O-C 3.55Å; T472-M496 WeakPolarHBondContact O-CA 3.37Å; V494-M496 HydrophobicContact CB-CE 4.26Å; V494-M496 HydrophobicContact CG1-CE 3.6Å; V494-M496 HydrophobicContact CG1-CG 4.3Å; M496-F498 HydrophobicContact CB-CD2 4.42Å; M496-F498 HydrophobicContact CB-CE2 3.83Å; M496-F498 HydrophobicContact CB-CZ 4.5Å
497K97.7Very high85.7Confident60 Ų6049.7 Ų49.726%0.26125%0.254SS..EExtended strand (participates in β ladder)trans-101.1137.8168.6-172.8-172.2-175.4-162.60108.9V471 T472 L474 E499V471-K497 WeakPolarHBondContact CA-O 3.37Å; T472-K497 PolarHBondContact N-O 3.48Å; T472-K497 PolarHBondContact O-N 3.43Å; L474-K497 HydrophobicContact CD2-CB 4.15Å; K497-E499 HydrophobicContact CG-CG 4.44Å; K497-E499 PolarHBondContact NZ-OE1 2.99Å; K497-E499 IonicContact NZ-OE1 3.63Å; K497-E499 WeakPolarHBondContact CE-OE1 3.44Å; K497-E499 HydrophobicContact CD-CG 4.3Å
498F97.4Very high85.9Confident7 Ų752.1 Ų52.13%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-116.5128.4176.5-69.7-105.9000109I167 V171 I178 T180 I465 F469 R470 V471 M496I167-F498 HydrophobicContact CD1-CE1 4.17Å; I167-F498 HydrophobicContact CD1-CZ 4.34Å; I167-F498 HydrophobicContact CG2-CB 4.2Å; I167-F498 HydrophobicContact CG2-CD1 3.72Å; I167-F498 HydrophobicContact CG2-CD2 4.29Å; I167-F498 HydrophobicContact CG2-CE1 4.13Å; I167-F498 HydrophobicContact CG2-CG 3.82Å; V171-F498 HydrophobicContact CG2-CB 3.76Å; I178-F498 HydrophobicContact CB-CD2 4.23Å; I178-F498 HydrophobicContact CB-CE2 4.16Å; I178-F498 HydrophobicContact CD1-CD2 3.88Å; I178-F498 HydrophobicContact CG1-CD2 4.45Å; I178-F498 HydrophobicContact CG2-CE2 4.28Å; T180-F498 HydrophobicContact CG2-CE2 4.47Å; T180-F498 HydrophobicContact CG2-CZ 3.83Å; T180-F498 WeakPolarHBondContact OG1-CE2 3.39Å; T180-F498 WeakPolarHBondContact OG1-CZ 3.5Å; I465-F498 HydrophobicContact CG2-CD1 4.48Å; I465-F498 HydrophobicContact CG2-CE1 3.8Å; F469-F498 HydrophobicContact CB-CB 4.33Å; F469-F498 HydrophobicContact CB-CD1 3.77Å; F469-F498 HydrophobicContact CD1-CB 3.84Å; F469-F498 HydrophobicContact CD1-CD1 4.4Å; F469-F498 HydrophobicContact CD2-CD1 4.34Å; F469-F498 HydrophobicContact CE1-CB 4.46Å; F469-F498 HydrophobicContact CG-CB 4.21Å; F469-F498 AromaticContact CG-CD1 3.93Å; F469-F498 HydrophobicContact CG-CD1 3.93Å; R470-F498 WeakPolarHBondContact O-CA 3.27Å; V471-F498 HydrophobicContact CG1-CE1 4.31Å; V471-F498 HydrophobicContact CG1-CZ 4.26Å; V471-F498 HydrophobicContact CG2-CD1 3.75Å; V471-F498 HydrophobicContact CG2-CE1 3.58Å; V471-F498 HydrophobicContact CG2-CZ 4.33Å; M496-F498 HydrophobicContact CB-CD2 4.42Å; M496-F498 HydrophobicContact CB-CE2 3.83Å; M496-F498 HydrophobicContact CB-CZ 4.5Å
499E95.9Very high85.9Confident74 Ų7454.9 Ų54.935%0.34628%0.281SS..EExtended strand (participates in β ladder)trans-120.8128.9178.7-62.9178.7143.700108.8F469 R470 K497 R501F469-E499 CarbonylContact C-O 3.53Å; F469-E499 VanDerWaalsContact CA-O 3.3Å; F469-E499 WeakPolarHBondContact CA-O 3.42Å; R470-E499 HydrophobicContact CB-CB 4.36Å; R470-E499 PolarHBondContact N-O 3.24Å; R470-E499 PolarHBondContact O-N 2.97Å; K497-E499 HydrophobicContact CG-CG 4.44Å; K497-E499 PolarHBondContact NZ-OE1 2.99Å; K497-E499 IonicContact NZ-OE1 3.63Å; K497-E499 WeakPolarHBondContact CE-OE1 3.44Å; K497-E499 HydrophobicContact CD-CG 4.3Å; E499-R501 PolarHBondContact O-N 3.01Å
500R94.2Very high85.9Confident117 Ų11755.9 Ų55.944%0.44229%0.289SS..EExtended strand (participates in β ladder)trans-63.2135.8-177.2-69.2-170.1-174.797.114.3111.3D168 F468 F469D168-R500 PolarHBondContact O-NH2 3.47Å; D168-R500 IonicContact OD1-CZ 3.7Å; D168-R500 VanDerWaalsContact OD1-CZ 3.24Å; D168-R500 IonicContact OD1-NE 3.56Å; D168-R500 PolarHBondContact OD1-NE 2.96Å; D168-R500 IonicContact OD1-NH2 3.56Å; D168-R500 PolarHBondContact OD1-NH2 3.46Å; D168-R500 IonicContact OD2-NH2 3.91Å; F468-R500 WeakPolarHBondContact O-CA 3.16Å; F469-R500 HydrophobicContact CD1-CG 4.32Å; F469-R500 HydrophobicContact CE1-CG 3.89Å
501R93.3Very high85.8Confident71 Ų7158.7 Ų58.727%0.26830%0.302SS..SBendtrans-101.9-50169.4-67.9-177.965.4-125.8-11.5111.8H336 D340 L466 R467 F468 R470 E499H336-R501 WeakPolarHBondContact CE1-CD 3.36Å; H336-R501 VanDerWaalsContact CG-CZ 3.43Å; H336-R501 PolarHBondContact ND1-NE 3.41Å; D340-R501 IonicContact OD1-CZ 2.79Å; D340-R501 IonicContact OD1-NH1 3.8Å; D340-R501 PolarHBondContact OD1-NH1 2.85Å; D340-R501 VanDerWaalsContact OD1-NH1 3.12Å; D340-R501 IonicContact OD1-NH2 2.82Å; D340-R501 PolarHBondContact OD1-NH2 3.47Å; D340-R501 IonicContact OD2-CZ 3.69Å; D340-R501 IonicContact OD2-NH2 3.36Å; D340-R501 PolarHBondContact OD2-NH2 3.31Å; L466-R501 PolarHBondContact O-NH1 2.85Å; R467-R501 PolarHBondContact O-NH1 2.91Å; F468-R501 PolarHBondContact O-N 3.18Å; R470-R501 HydrophobicContact CB-CG 4.14Å; E499-R501 PolarHBondContact O-N 3.01Å
502Q83.2Confident86.1Confident19 Ų1962.5 Ų62.59%0.08932%0.322CS..SBendtrans-122.1151.4-178.1-74.2-179.5-21.300109.9G344 D345 F468G344-Q502 PolarHBondContact O-NE2 3.03Å; D345-Q502 PolarHBondContact OD1-NE2 3.02Å; F468-Q502 HydrophobicContact CD1-CB 4.08Å; F468-Q502 HydrophobicContact CE1-CB 4.41Å
503P76.2Confident86.4Confident112 Ų11259.6 Ų59.673%0.72731%0.31SS*.  trans-62.2143.7170.528.4-33.4000110F468F468-P503 WeakPolarHBondContact CE1-O 3.5Å
504L71.2Confident86.3Confident34 Ų3457.2 Ų57.218%0.17829%0.292CS..  trans-108.2115.5-179.7-167.682.9000108.6L164 D168 F468 I506L164-L504 HydrophobicContact CB-CD2 4.44Å; L164-L504 HydrophobicContact CD2-CD1 4.2Å; D168-L504 HydrophobicContact CB-CD2 3.69Å; F468-L504 HydrophobicContact CB-CD1 3.95Å; F468-L504 HydrophobicContact CD1-CB 4.26Å; F468-L504 HydrophobicContact CD1-CD1 3.38Å; F468-L504 HydrophobicContact CD1-CG 4.43Å; F468-L504 HydrophobicContact CD2-CD1 3.72Å; F468-L504 HydrophobicContact CE1-CD1 3.76Å; F468-L504 HydrophobicContact CE2-CD1 4.13Å; F468-L504 HydrophobicContact CG-CD1 3.36Å; F468-L504 HydrophobicContact CZ-CD1 4.13Å; L504-I506 VanDerWaalsContact C-N 3.31Å; L504-I506 HydrophobicContact CD1-CD1 3.63Å; L504-I506 HydrophobicContact CD1-CG1 4.07Å; L504-I506 HydrophobicContact CD2-CB 4.24Å; L504-I506 HydrophobicContact CD2-CD1 3.92Å; L504-I506 HydrophobicContact CD2-CG1 4.22Å; L504-I506 HydrophobicContact CG-CB 4.19Å; L504-I506 HydrophobicContact CG-CD1 3.77Å; L504-I506 HydrophobicContact CG-CG1 3.8Å; L504-I506 PolarHBondContact O-N 3.11Å
505S66.9Low85.9Confident87 Ų8761.9 Ų61.961%0.60832%0.316SS*.  trans-91.527.6-179.32.20000113.9D347D347-S505 WeakPolarHBondContact OD2-CB 3.36Å; D347-S505 PolarHBondContact OD2-OG 3.26Å
506I61.4Low84.9Confident105 Ų10562.4 Ų62.454%0.53832%0.317SS..  trans-84.80-175.8-57.5176.9000112.4R161 L164 S165 W464 L504R161-I506 HydrophobicContact CB-CD1 4.01Å; R161-I506 HydrophobicContact CB-CG2 4.33Å; R161-I506 HydrophobicContact CG-CD1 3.94Å; L164-I506 HydrophobicContact CB-CD1 4.02Å; L164-I506 HydrophobicContact CD2-CD1 4.4Å; S165-I506 WeakPolarHBondContact OG-CG2 3.45Å; W464-I506 HydrophobicContact CZ3-CD1 4.2Å; L504-I506 VanDerWaalsContact C-N 3.31Å; L504-I506 HydrophobicContact CD1-CD1 3.63Å; L504-I506 HydrophobicContact CD1-CG1 4.07Å; L504-I506 HydrophobicContact CD2-CB 4.24Å; L504-I506 HydrophobicContact CD2-CD1 3.92Å; L504-I506 HydrophobicContact CD2-CG1 4.22Å; L504-I506 HydrophobicContact CG-CB 4.19Å; L504-I506 HydrophobicContact CG-CD1 3.77Å; L504-I506 HydrophobicContact CG-CG1 3.8Å; L504-I506 PolarHBondContact O-N 3.11Å

Retrieved 506 of 506 residues in 1434.6 ms (Link to these results)

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