A0A077ZJ61_TRITR Loading...

Exo endo phos domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 338 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
1M63.1Low82.5Confident110 Ų11020.7 Ų20.754%0.54210%0.104SC..  0135.80-168.8136.9-168.600108.9L23 C26 L28 F311M1-L23 HydrophobicContact CE-CD2 3.62Å; M1-C26 HydrophobicContact CE-CB 3.22Å; M1-C26 VanDerWaalsContact CE-SG 3.51Å; M1-C26 HydrophobicContact SD-CB 3.39Å; M1-C26 WeakPolarHBondContact SD-CB 3.43Å; M1-C26 VanDerWaalsContact SD-SG 3.69Å; M1-L28 HydrophobicContact CE-CD1 3.69Å; M1-L28 HydrophobicContact CG-CD1 4.31Å; M1-L28 HydrophobicContact SD-CD1 4.35Å; M1-F311 HydrophobicContact CE-CD2 4.39Å; M1-F311 HydrophobicContact CE-CE2 3.54Å; M1-F311 HydrophobicContact CE-CZ 4.07Å; M1-F311 HydrophobicContact SD-CE2 4.24Å; M1-F311 HydrophobicContact SD-CZ 4.47Å
2A72.2Confident83Confident3 Ų325.2 Ų25.23%0.02513%0.126CC..  trans-68154.9178.600000112.6I5 Q324A2-I5 HydrophobicContact CB-CD1 4.23Å; A2-I5 HydrophobicContact CB-CG1 3.86Å; A2-Q324 HydrophobicContact CB-CB 3.77Å; A2-Q324 HydrophobicContact CB-CG 4.27Å
3D83.1Confident83.3Confident5 Ų534.2 Ų34.23%0.02716%0.158CC..SBendtrans-98.8-23178.9-63.1-64.8000113.5F47 N48 K51 F52 I325 T326 V327D3-F47 CarbonylContact O-C 3.57Å; D3-F47 VanDerWaalsContact O-CA 3.25Å; D3-F47 WeakPolarHBondContact O-CA 3.25Å; D3-N48 HydrophobicContact CB-CB 4.07Å; D3-N48 PolarHBondContact O-N 2.76Å; D3-N48 PolarHBondContact OD1-ND2 3Å; D3-K51 HydrophobicContact CB-CD 4.31Å; D3-K51 VanDerWaalsContact OD1-CD 3.29Å; D3-K51 WeakPolarHBondContact OD1-CD 3.46Å; D3-K51 VanDerWaalsContact OD1-CE 3.25Å; D3-K51 WeakPolarHBondContact OD1-CE 3.27Å; D3-K51 IonicContact OD1-NZ 2.77Å; D3-K51 PolarHBondContact OD1-NZ 3.14Å; D3-K51 IonicContact OD2-NZ 3.2Å; D3-K51 PolarHBondContact OD2-NZ 3.5Å; D3-F52 HydrophobicContact CB-CE2 3.93Å; D3-I325 CarbonylContact C-O 3.54Å; D3-I325 WeakPolarHBondContact CA-O 3.36Å; D3-I325 PolarHBondContact N-O 3.33Å; D3-T326 WeakPolarHBondContact OD2-CG2 3.49Å; D3-V327 HydrophobicContact CB-CG2 4.48Å; D3-V327 PolarHBondContact OD2-N 2.65Å
4L87Confident83.3Confident0 Ų034.2 Ų34.20%016%0.159CC..EExtended strand (participates in β ladder)trans-130.3140164.7-50.6162.1000108.6F46 F47 F52 L102 V114 L159 I325L4-F46 CarbonylContact C-O 3.57Å; L4-F46 VanDerWaalsContact CA-O 3.29Å; L4-F46 WeakPolarHBondContact CA-O 2.98Å; L4-F47 HydrophobicContact CD2-CB 3.48Å; L4-F47 VanDerWaalsContact CD2-CB 3.48Å; L4-F52 HydrophobicContact CD1-CE2 4.46Å; L4-F52 HydrophobicContact CD1-CZ 4.25Å; L4-F52 HydrophobicContact CD2-CD2 3.82Å; L4-F52 HydrophobicContact CD2-CE2 3.62Å; L4-F52 HydrophobicContact CD2-CG 4.41Å; L4-F52 HydrophobicContact CD2-CZ 4.1Å; L4-F52 HydrophobicContact CG-CE2 3.82Å; L4-F52 HydrophobicContact CG-CZ 4.1Å; L4-L102 HydrophobicContact CD2-CD1 3.61Å; L4-V114 HydrophobicContact CD1-CG2 3.97Å; L4-V114 HydrophobicContact CD2-CG2 4.38Å; L4-L159 HydrophobicContact CD1-CD1 3.64Å; L4-I325 HydrophobicContact CB-CB 4.04Å; L4-I325 HydrophobicContact CD1-CB 4.47Å; L4-I325 HydrophobicContact CD1-CG2 4.34Å; L4-I325 PolarHBondContact N-O 3.07Å; L4-I325 PolarHBondContact O-N 3.48Å
5I86Confident83.5Confident0 Ų032.9 Ų32.90%015%0.153CC..EExtended strand (participates in β ladder)trans-133.7127.4178.8-70.9162000107.4A2 L7 L23 L28 I45 F46 M321 A323 Q324A2-I5 HydrophobicContact CB-CD1 4.23Å; A2-I5 HydrophobicContact CB-CG1 3.86Å; I5-L7 HydrophobicContact CG2-CD1 4.4Å; I5-L7 HydrophobicContact CG2-CD2 4.08Å; I5-L7 HydrophobicContact CG2-CG 3.85Å; I5-L23 HydrophobicContact CD1-CD2 4.33Å; I5-L28 HydrophobicContact CD1-CD2 3.61Å; I5-L28 HydrophobicContact CG1-CD2 4.33Å; I5-I45 CarbonylContact O-C 3.47Å; I5-I45 WeakPolarHBondContact O-CA 3.32Å; I5-F46 HydrophobicContact CB-CB 4.15Å; I5-F46 PolarHBondContact N-O 2.86Å; I5-F46 PolarHBondContact O-N 2.94Å; I5-M321 HydrophobicContact CB-CE 4.03Å; I5-M321 HydrophobicContact CD1-CE 3.33Å; I5-M321 HydrophobicContact CG1-CE 3.53Å; I5-M321 HydrophobicContact CG2-CE 3.3Å; I5-M321 HydrophobicContact CG2-SD 3.81Å; I5-A323 WeakPolarHBondContact CA-O 3.22Å; I5-Q324 HydrophobicContact CG1-CG 4.32Å
6C86.9Confident83.7Confident0 Ų036.4 Ų36.40%017%0.173CC..EExtended strand (participates in β ladder)trans-115.8117.3175.5-64.30000109Q8 A44 N116 C161 A323C6-Q8 PolarHBondContact O-NE2 2.74Å; C6-A44 WeakPolarHBondContact CA-O 3.16Å; C6-N116 HydrophobicContact CB-CB 4.28Å; C6-C161 HydrophobicContact CB-CB 3.68Å; C6-A323 HydrophobicContact CB-CB 4.09Å; C6-A323 PolarHBondContact N-O 3.09Å; C6-A323 PolarHBondContact O-N 2.63Å
7L86.7Confident83.8Confident0 Ų039.2 Ų39.20%019%0.19CC..EExtended strand (participates in β ladder)trans-114.7135.3-178.6-64.8179.8000110.4I5 V10 W19 L43 A44 F46 N116 M321I5-L7 HydrophobicContact CG2-CD1 4.4Å; I5-L7 HydrophobicContact CG2-CD2 4.08Å; I5-L7 HydrophobicContact CG2-CG 3.85Å; L7-V10 HydrophobicContact CB-CG2 3.43Å; L7-V10 VanDerWaalsContact CB-CG2 3.43Å; L7-V10 HydrophobicContact CD1-CG2 4.24Å; L7-V10 HydrophobicContact CG-CG2 4.48Å; L7-W19 HydrophobicContact CD1-CD2 4.3Å; L7-W19 HydrophobicContact CD1-CE3 4.41Å; L7-L43 CarbonylContact O-C 3.47Å; L7-L43 WeakPolarHBondContact O-CA 3.38Å; L7-A44 HydrophobicContact CB-CB 4.32Å; L7-A44 PolarHBondContact N-O 2.73Å; L7-A44 PolarHBondContact O-N 3.39Å; L7-F46 HydrophobicContact CD1-CD2 4.43Å; L7-F46 HydrophobicContact CD1-CE2 4.11Å; L7-N116 PolarHBondContact O-ND2 3.22Å; L7-N116 VanDerWaalsContact O-ND2 3.12Å; L7-M321 HydrophobicContact CD1-SD 4.31Å; L7-M321 HydrophobicContact CD2-CB 4.33Å; L7-M321 HydrophobicContact CD2-CG 4.26Å; L7-M321 HydrophobicContact CD2-SD 3.51Å; L7-M321 VanDerWaalsContact CD2-SD 3.51Å; L7-M321 HydrophobicContact CG-SD 4.3Å
8Q86.6Confident83.7Confident5 Ų538.9 Ų38.92%0.02319%0.189CC..EExtended strand (participates in β ladder)trans-106.1167.6170.5-56.573.610500108C6 V10 L43 N116 T117 H118 D163 E322C6-Q8 PolarHBondContact O-NE2 2.74Å; Q8-V10 PolarHBondContact O-N 3.23Å; Q8-V10 VanDerWaalsContact O-N 3.1Å; Q8-L43 HydrophobicContact CB-CD2 3.88Å; Q8-L43 HydrophobicContact CG-CD2 3.81Å; Q8-N116 PolarHBondContact NE2-ND2 2.94Å; Q8-N116 PolarHBondContact NE2-OD1 2.93Å; Q8-N116 VanDerWaalsContact NE2-OD1 3.09Å; Q8-T117 WeakPolarHBondContact CG-O 3.44Å; Q8-H118 HydrophobicContact CB-CB 3.93Å; Q8-H118 HydrophobicContact CG-CB 3.76Å; Q8-D163 HydrophobicContact CG-CB 4.37Å; Q8-E322 VanDerWaalsContact CA-OE2 3.24Å; Q8-E322 WeakPolarHBondContact CA-OE2 3.37Å; Q8-E322 WeakPolarHBondContact CB-OE2 3.38Å; Q8-E322 WeakPolarHBondContact CG-OE2 3.3Å; Q8-E322 PolarHBondContact N-OE2 3.22Å; Q8-E322 PolarHBondContact NE2-OE2 3.45Å; Q8-E322 PolarHBondContact OE1-OE2 3.32Å
9E84.6Confident83.6Confident48 Ų4837.1 Ų37.122%0.22418%0.18CC..EExtended strand (participates in β ladder)trans54.830-179.7-52.9-153.9141.700117D11 E41 G42 H118 K277E9-D11 PolarHBondContact O-N 2.73Å; E9-E41 VanDerWaalsContact CA-CG 3.41Å; E9-E41 VanDerWaalsContact CA-OE1 3.29Å; E9-E41 WeakPolarHBondContact CA-OE1 3.25Å; E9-E41 VanDerWaalsContact CB-CD 3.49Å; E9-E41 HydrophobicContact CB-CG 4.12Å; E9-E41 WeakPolarHBondContact CG-OE1 3.26Å; E9-E41 WeakPolarHBondContact O-CG 3.32Å; E9-G42 PolarHBondContact N-O 2.77Å; E9-H118 WeakPolarHBondContact CG-CE1 3.23Å; E9-H118 VanDerWaalsContact CG-ND1 3.32Å; E9-H118 WeakPolarHBondContact CG-ND1 3.48Å; E9-H118 IonicContact OE1-CE1 2.73Å; E9-H118 PolarHBondContact OE1-CE1 2.87Å; E9-H118 IonicContact OE1-ND1 3.22Å; E9-K277 IonicContact OE1-NZ 2.61Å; E9-K277 IonicContact OE2-NZ 3.84Å; E9-K277 PolarHBondContact OE2-NZ 3.05Å
10V84Confident83.7Confident4 Ų437.8 Ų37.82%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-80.2117.4-177.7-175.40000109.8L7 Q8 F15 F32 E41 G42 A44L7-V10 HydrophobicContact CB-CG2 3.43Å; L7-V10 VanDerWaalsContact CB-CG2 3.43Å; L7-V10 HydrophobicContact CD1-CG2 4.24Å; L7-V10 HydrophobicContact CG-CG2 4.48Å; Q8-V10 PolarHBondContact O-N 3.23Å; Q8-V10 VanDerWaalsContact O-N 3.1Å; V10-F15 HydrophobicContact CG1-CB 3.83Å; V10-F15 HydrophobicContact CG1-CD2 4.26Å; V10-F32 HydrophobicContact CB-CD2 4.41Å; V10-F32 HydrophobicContact CB-CE2 3.99Å; V10-F32 HydrophobicContact CG1-CD2 4.3Å; V10-F32 HydrophobicContact CG1-CE2 4.11Å; V10-F32 WeakPolarHBondContact O-CE2 3.07Å; V10-E41 CarbonylContact O-C 3.56Å; V10-E41 VanDerWaalsContact O-CA 3.31Å; V10-E41 WeakPolarHBondContact O-CA 3.14Å; V10-G42 PolarHBondContact N-O 2.68Å; V10-G42 PolarHBondContact O-N 3.26Å; V10-A44 HydrophobicContact CG2-CB 4.04Å
11D87.5Confident83.8Confident53 Ų5338.8 Ų38.828%0.28320%0.195SC..EExtended strand (participates in β ladder)trans-68.7134169.7-178.5-85.9000110.4E9 R13 L14 F15E9-D11 PolarHBondContact O-N 2.73Å; D11-R13 PolarHBondContact O-N 3.48Å; D11-R13 WeakPolarHBondContact OD1-CA 3.34Å; D11-R13 VanDerWaalsContact OD1-CB 3.27Å; D11-R13 WeakPolarHBondContact OD1-CB 3.38Å; D11-R13 PolarHBondContact OD1-N 3.15Å; D11-L14 HydrophobicContact CB-CB 4.18Å; D11-L14 HydrophobicContact CB-CD1 4.03Å; D11-L14 HydrophobicContact CB-CG 4.04Å; D11-L14 CarbonylContact O-C 3.57Å; D11-L14 WeakPolarHBondContact O-CA 3.34Å; D11-L14 PolarHBondContact O-N 3.19Å; D11-L14 PolarHBondContact OD1-N 2.9Å; D11-F15 PolarHBondContact O-N 3.41Å
12M88.6Confident84.7Confident74 Ų7435.6 Ų35.637%0.36518%0.179SC..Hα-helixtrans-53.6-38.5-178.8-175.9-179.972.500113.3F15 D16 F32 A40M12-F15 WeakPolarHBondContact O-CB 3.41Å; M12-F15 PolarHBondContact O-N 3.5Å; M12-D16 PolarHBondContact O-N 3.15Å; M12-F32 HydrophobicContact CB-CE1 3.76Å; M12-F32 HydrophobicContact CB-CZ 3.95Å; M12-F32 HydrophobicContact CG-CD1 4.4Å; M12-F32 HydrophobicContact CG-CE1 3.88Å; M12-A40 WeakPolarHBondContact CB-O 3.34Å; M12-A40 PolarHBondContact N-O 2.83Å
13R87.1Confident85.2Confident143 Ų14335.5 Ų35.554%0.5418%0.178SC..Hα-helixtrans-72.7-36.1178.7-61.2178.4175.2173.5-0.8111.5D11 F15 N17D11-R13 PolarHBondContact O-N 3.48Å; D11-R13 WeakPolarHBondContact OD1-CA 3.34Å; D11-R13 VanDerWaalsContact OD1-CB 3.27Å; D11-R13 WeakPolarHBondContact OD1-CB 3.38Å; D11-R13 PolarHBondContact OD1-N 3.15Å; R13-F15 VanDerWaalsContact C-N 3.31Å; R13-N17 VanDerWaalsContact O-CB 3.32Å; R13-N17 WeakPolarHBondContact O-CB 3.47Å; R13-N17 PolarHBondContact O-N 2.96Å; R13-N17 PolarHBondContact O-ND2 3.07Å
14L83.1Confident85.4Confident34 Ų3439 Ų3918%0.17820%0.197CC..Hα-helixtrans-68.3-35.4174.3-66.5-179.8000110.8D11 L18 W19 W273D11-L14 HydrophobicContact CB-CB 4.18Å; D11-L14 HydrophobicContact CB-CD1 4.03Å; D11-L14 HydrophobicContact CB-CG 4.04Å; D11-L14 CarbonylContact O-C 3.57Å; D11-L14 WeakPolarHBondContact O-CA 3.34Å; D11-L14 PolarHBondContact O-N 3.19Å; D11-L14 PolarHBondContact OD1-N 2.9Å; L14-L18 HydrophobicContact CD2-CD2 4.46Å; L14-L18 WeakPolarHBondContact O-CA 3.39Å; L14-L18 VanDerWaalsContact O-CB 3.3Å; L14-L18 WeakPolarHBondContact O-CB 3.23Å; L14-L18 PolarHBondContact O-N 3.24Å; L14-W19 PolarHBondContact O-N 3.26Å; L14-W273 HydrophobicContact CD1-CH2 4.41Å
15F85.6Confident85.2Confident15 Ų1547 Ų477%0.06623%0.233CC..Iπ-helixtrans-55.9-56.4172.5-178.1-97.8000111.2V10 D11 M12 R13 W19 V20 F32 A44 F46V10-F15 HydrophobicContact CG1-CB 3.83Å; V10-F15 HydrophobicContact CG1-CD2 4.26Å; D11-F15 PolarHBondContact O-N 3.41Å; M12-F15 WeakPolarHBondContact O-CB 3.41Å; M12-F15 PolarHBondContact O-N 3.5Å; R13-F15 VanDerWaalsContact C-N 3.31Å; F15-W19 PolarHBondContact O-N 2.95Å; F15-V20 HydrophobicContact CD1-CG2 3.88Å; F15-V20 HydrophobicContact CD2-CG2 4.31Å; F15-V20 HydrophobicContact CE1-CG2 3.43Å; F15-V20 VanDerWaalsContact CE1-CG2 3.43Å; F15-V20 HydrophobicContact CE2-CG2 3.92Å; F15-V20 HydrophobicContact CG-CG2 4.3Å; F15-V20 HydrophobicContact CZ-CG2 3.45Å; F15-V20 VanDerWaalsContact CZ-CG2 3.45Å; F15-V20 WeakPolarHBondContact O-CB 3.17Å; F15-V20 WeakPolarHBondContact O-CG2 3.49Å; F15-V20 PolarHBondContact O-N 3.19Å; F15-F32 HydrophobicContact CB-CD2 4.16Å; F15-F32 HydrophobicContact CB-CG 4.42Å; F15-F32 HydrophobicContact CD1-CB 3.66Å; F15-F32 HydrophobicContact CD1-CG 4.14Å; F15-F32 HydrophobicContact CD2-CB 3.91Å; F15-F32 HydrophobicContact CD2-CD2 4.06Å; F15-F32 HydrophobicContact CD2-CG 4.3Å; F15-F32 HydrophobicContact CE1-CB 3.58Å; F15-F32 HydrophobicContact CE2-CB 3.82Å; F15-F32 HydrophobicContact CG-CB 3.83Å; F15-F32 HydrophobicContact CG-CD2 4.01Å; F15-F32 HydrophobicContact CG-CG 4.02Å; F15-F32 HydrophobicContact CZ-CB 3.67Å; F15-A44 HydrophobicContact CD2-CB 3.94Å; F15-A44 HydrophobicContact CE2-CB 3.88Å; F15-F46 HydrophobicContact CD2-CE2 4.26Å; F15-F46 AromaticContact CD2-CZ 3.82Å; F15-F46 HydrophobicContact CD2-CZ 3.82Å; F15-F46 HydrophobicContact CE2-CE1 4.11Å; F15-F46 AromaticContact CE2-CE2 3.88Å; F15-F46 HydrophobicContact CE2-CE2 3.88Å; F15-F46 AromaticContact CE2-CZ 3.37Å; F15-F46 HydrophobicContact CE2-CZ 3.37Å; F15-F46 HydrophobicContact CZ-CZ 4.3Å
16D87.1Confident85.1Confident89 Ų8949.4 Ų49.448%0.47625%0.25SS..Iπ-helixtrans-69.9-40.1-174.8-68-31.8000113.5M12 P21M12-D16 PolarHBondContact O-N 3.15Å; D16-P21 VanDerWaalsContact O-CD 3.27Å; D16-P21 WeakPolarHBondContact O-CD 3.18Å
17N85.3Confident85.2Confident84 Ų8450.3 Ų50.345%0.44926%0.26SS..Iπ-helixtrans-101.1-13.8-168-57.3-71.2000114.3R13 L293R13-N17 VanDerWaalsContact O-CB 3.32Å; R13-N17 WeakPolarHBondContact O-CB 3.47Å; R13-N17 PolarHBondContact O-N 2.96Å; R13-N17 PolarHBondContact O-ND2 3.07Å; N17-L293 HydrophobicContact CB-CD1 4.25Å; N17-L293 HydrophobicContact CB-CD2 4Å
18L82.4Confident85.3Confident33 Ų3350.5 Ų50.517%0.17326%0.261CS..Iπ-helixtrans-123.2-62.6179.3178.567.6000111.2L14 P21 F22 L314L14-L18 HydrophobicContact CD2-CD2 4.46Å; L14-L18 WeakPolarHBondContact O-CA 3.39Å; L14-L18 VanDerWaalsContact O-CB 3.3Å; L14-L18 WeakPolarHBondContact O-CB 3.23Å; L14-L18 PolarHBondContact O-N 3.24Å; L18-P21 WeakPolarHBondContact O-CD 3.16Å; L18-F22 WeakPolarHBondContact O-CB 3.32Å; L18-F22 PolarHBondContact O-N 2.92Å; L18-F22 VanDerWaalsContact O-N 3.07Å; L18-L314 HydrophobicContact CD1-CD1 4.2Å
19W80.7Confident85.6Confident5 Ų552.2 Ų52.22%0.01927%0.272CS..Iπ-helixtrans-66.7-46.7-169.9-64.8118.1000113.1L7 L14 F15 L23 F46 L314 C319L7-W19 HydrophobicContact CD1-CD2 4.3Å; L7-W19 HydrophobicContact CD1-CE3 4.41Å; L14-W19 PolarHBondContact O-N 3.26Å; F15-W19 PolarHBondContact O-N 2.95Å; W19-L23 HydrophobicContact CE3-CD1 4.34Å; W19-L23 VanDerWaalsContact O-CB 3.29Å; W19-L23 WeakPolarHBondContact O-CB 3.21Å; W19-L23 WeakPolarHBondContact O-CG 3.14Å; W19-L23 PolarHBondContact O-N 3.17Å; W19-F46 HydrophobicContact CB-CE2 4.35Å; W19-F46 HydrophobicContact CB-CZ 3.73Å; W19-L314 HydrophobicContact CH2-CD2 3.67Å; W19-L314 HydrophobicContact CZ3-CD2 3.64Å; W19-C319 HydrophobicContact CH2-CB 3.26Å; W19-C319 HydrophobicContact CZ2-CB 3.42Å; W19-C319 VanDerWaalsContact CZ2-CB 3.42Å; W19-C319 VanDerWaalsContact CZ2-SG 3.5Å; W19-C319 HydrophobicContact CZ3-CB 4.45Å
20V86.3Confident86Confident50 Ų5051 Ų5130%0.30327%0.272SS..Hα-helixtrans-62.7-53.8179.41670000111.4F15 F22 N24 F46F15-V20 HydrophobicContact CD1-CG2 3.88Å; F15-V20 HydrophobicContact CD2-CG2 4.31Å; F15-V20 HydrophobicContact CE1-CG2 3.43Å; F15-V20 VanDerWaalsContact CE1-CG2 3.43Å; F15-V20 HydrophobicContact CE2-CG2 3.92Å; F15-V20 HydrophobicContact CG-CG2 4.3Å; F15-V20 HydrophobicContact CZ-CG2 3.45Å; F15-V20 VanDerWaalsContact CZ-CG2 3.45Å; F15-V20 WeakPolarHBondContact O-CB 3.17Å; F15-V20 WeakPolarHBondContact O-CG2 3.49Å; F15-V20 PolarHBondContact O-N 3.19Å; V20-F22 VanDerWaalsContact C-N 3.33Å; V20-F22 PolarHBondContact O-N 3.11Å; V20-N24 WeakPolarHBondContact O-CB 3.05Å; V20-N24 PolarHBondContact O-N 2.87Å; V20-F46 HydrophobicContact CG2-CE1 4.3Å
21P86.1Confident86.6Confident59 Ų5953 Ų5338%0.38328%0.283SS..Hα-helixtrans-55.3-47.9177.5-27.334.9000112.6D16 L18 E25D16-P21 VanDerWaalsContact O-CD 3.27Å; D16-P21 WeakPolarHBondContact O-CD 3.18Å; L18-P21 WeakPolarHBondContact O-CD 3.16Å; P21-E25 PolarHBondContact O-N 2.93Å
22F81.5Confident87Confident44 Ų4452.7 Ų52.719%0.19328%0.279CS..Hα-helixtrans-65-53.1-176.7-177.3-111.2000112.8L18 V20 N24 E25 C26 F311 L314L18-F22 WeakPolarHBondContact O-CB 3.32Å; L18-F22 PolarHBondContact O-N 2.92Å; L18-F22 VanDerWaalsContact O-N 3.07Å; V20-F22 VanDerWaalsContact C-N 3.33Å; V20-F22 PolarHBondContact O-N 3.11Å; F22-N24 VanDerWaalsContact C-N 3.28Å; F22-N24 PolarHBondContact O-N 3.2Å; F22-E25 WeakPolarHBondContact O-CB 3.14Å; F22-E25 PolarHBondContact O-N 2.86Å; F22-C26 PolarHBondContact O-N 2.81Å; F22-F311 AromaticContact CE1-CD2 3.49Å; F22-F311 HydrophobicContact CE1-CD2 3.49Å; F22-F311 VanDerWaalsContact CE1-CD2 3.49Å; F22-F311 HydrophobicContact CE1-CE2 4.02Å; F22-F311 HydrophobicContact CZ-CB 4.04Å; F22-F311 AromaticContact CZ-CD2 3.51Å; F22-F311 HydrophobicContact CZ-CD2 3.51Å; F22-F311 HydrophobicContact CZ-CE2 4.46Å; F22-F311 HydrophobicContact CZ-CG 4.23Å; F22-L314 HydrophobicContact CE1-CD2 4.36Å
23L82.6Confident87.4Confident1 Ų151.2 Ų51.21%0.00527%0.272CS..Hα-helixtrans-72.8-23.5-177.8-67.5173.9000112.5M1 I5 W19 C26 G27 L28 F46M1-L23 HydrophobicContact CE-CD2 3.62Å; I5-L23 HydrophobicContact CD1-CD2 4.33Å; W19-L23 HydrophobicContact CE3-CD1 4.34Å; W19-L23 VanDerWaalsContact O-CB 3.29Å; W19-L23 WeakPolarHBondContact O-CB 3.21Å; W19-L23 WeakPolarHBondContact O-CG 3.14Å; W19-L23 PolarHBondContact O-N 3.17Å; L23-C26 CarbonylContact O-C 3.4Å; L23-C26 WeakPolarHBondContact O-CB 2.85Å; L23-C26 PolarHBondContact O-N 3.2Å; L23-G27 PolarHBondContact O-N 3.3Å; L23-L28 HydrophobicContact CB-CB 4.26Å; L23-L28 PolarHBondContact O-N 3.48Å; L23-F46 HydrophobicContact CB-CD1 3.93Å; L23-F46 HydrophobicContact CB-CE1 4.05Å; L23-F46 HydrophobicContact CD1-CB 4.29Å; L23-F46 HydrophobicContact CD1-CD1 3.49Å; L23-F46 VanDerWaalsContact CD1-CD1 3.49Å; L23-F46 HydrophobicContact CD1-CD2 3.67Å; L23-F46 HydrophobicContact CD1-CE1 3.58Å; L23-F46 HydrophobicContact CD1-CE2 3.74Å; L23-F46 HydrophobicContact CD1-CG 3.55Å; L23-F46 HydrophobicContact CD1-CZ 3.72Å; L23-F46 HydrophobicContact CG-CD1 4.36Å; L23-F46 HydrophobicContact CG-CE1 4.41Å
24N86.8Confident87.8Confident79 Ų7949.2 Ų49.242%0.42226%0.264SS..Hα-helixtrans-66.7-38.3171.8178.877.6000112.1V20 F22 C26 G27 L28 R49V20-N24 WeakPolarHBondContact O-CB 3.05Å; V20-N24 PolarHBondContact O-N 2.87Å; F22-N24 VanDerWaalsContact C-N 3.28Å; F22-N24 PolarHBondContact O-N 3.2Å; N24-C26 PolarHBondContact O-N 3.44Å; N24-G27 PolarHBondContact O-N 2.88Å; N24-L28 WeakPolarHBondContact CA-O 3.18Å; N24-R49 VanDerWaalsContact OD1-CZ 3.31Å; N24-R49 PolarHBondContact OD1-NH1 2.93Å; N24-R49 VanDerWaalsContact OD1-NH1 3.09Å; N24-R49 PolarHBondContact OD1-NH2 2.77Å
25E84.5Confident88.5Confident166 Ų16648.5 Ų48.578%0.77626%0.259SS*.Hα-helixtrans-61.3-29.2171.8-71.3-179.8178.800112P21 F22 G27P21-E25 PolarHBondContact O-N 2.93Å; F22-E25 WeakPolarHBondContact O-CB 3.14Å; F22-E25 PolarHBondContact O-N 2.86Å; E25-G27 VanDerWaalsContact C-N 3.31Å
26C83.5Confident88.9Confident52 Ų5248 Ų4835%0.35126%0.259SS..THydrogen-bonded Turntrans-85.54.1175.4-58.50000114.7M1 F22 L23 N24 L28M1-C26 HydrophobicContact CE-CB 3.22Å; M1-C26 VanDerWaalsContact CE-SG 3.51Å; M1-C26 HydrophobicContact SD-CB 3.39Å; M1-C26 WeakPolarHBondContact SD-CB 3.43Å; M1-C26 VanDerWaalsContact SD-SG 3.69Å; F22-C26 PolarHBondContact O-N 2.81Å; L23-C26 CarbonylContact O-C 3.4Å; L23-C26 WeakPolarHBondContact O-CB 2.85Å; L23-C26 PolarHBondContact O-N 3.2Å; N24-C26 PolarHBondContact O-N 3.44Å; C26-L28 HydrophobicContact CB-CD1 3.88Å; C26-L28 WeakPolarHBondContact O-CD1 3.44Å
27G88Confident89.1Confident19 Ų1946.2 Ų46.220%0.19626%0.261CS..THydrogen-bonded Turntrans85.77.3178.900000115.3L23 N24 E25 R49L23-G27 PolarHBondContact O-N 3.3Å; N24-G27 PolarHBondContact O-N 2.88Å; E25-G27 VanDerWaalsContact C-N 3.31Å; G27-R49 VanDerWaalsContact O-CG 3.27Å; G27-R49 WeakPolarHBondContact O-CG 2.96Å; G27-R49 PolarHBondContact O-N 2.78Å; G27-R49 VanDerWaalsContact O-N 3.1Å; G27-R49 PolarHBondContact O-NE 3.22Å
28L88.7Confident89.3Confident4 Ų450 Ų502%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-95.6142177.3-66.286.8000112.2M1 I5 L23 N24 C26 F46 F47 R49M1-L28 HydrophobicContact CE-CD1 3.69Å; M1-L28 HydrophobicContact CG-CD1 4.31Å; M1-L28 HydrophobicContact SD-CD1 4.35Å; I5-L28 HydrophobicContact CD1-CD2 3.61Å; I5-L28 HydrophobicContact CG1-CD2 4.33Å; L23-L28 HydrophobicContact CB-CB 4.26Å; L23-L28 PolarHBondContact O-N 3.48Å; N24-L28 WeakPolarHBondContact CA-O 3.18Å; C26-L28 HydrophobicContact CB-CD1 3.88Å; C26-L28 WeakPolarHBondContact O-CD1 3.44Å; L28-F46 HydrophobicContact CB-CB 4.32Å; L28-F46 HydrophobicContact CD2-CB 3.98Å; L28-F47 CarbonylContact C-O 3.51Å; L28-F47 VanDerWaalsContact CA-O 3.25Å; L28-F47 WeakPolarHBondContact CA-O 3.29Å; L28-R49 VanDerWaalsContact C-NH2 3.31Å; L28-R49 PolarHBondContact O-NH2 2.7Å
29C93.9Very high89.7Confident40 Ų4050.8 Ų50.827%0.2729%0.288SS..EExtended strand (participates in β ladder)trans-103.3145.5167.4-70.30000108.9F46 F47 R49C29-F46 CarbonylContact O-C 3.59Å; C29-F46 WeakPolarHBondContact O-CA 3.43Å; C29-F47 HydrophobicContact CB-CD2 4.43Å; C29-F47 HydrophobicContact CB-CE1 4.32Å; C29-F47 HydrophobicContact CB-CE2 3.82Å; C29-F47 HydrophobicContact CB-CZ 3.74Å; C29-F47 PolarHBondContact N-O 2.6Å; C29-F47 PolarHBondContact O-N 2.73Å; C29-R49 PolarHBondContact SG-NE 3.2Å; C29-R49 PolarHBondContact SG-NH2 2.8Å
30G92.2Very high90.1Very high22 Ų2252.8 Ų52.823%0.22731%0.305CS..EExtended strand (participates in β ladder)trans-129.8147.5-178.300000113.7I45G30-I45 CarbonylContact C-O 3.53Å; G30-I45 VanDerWaalsContact CA-O 3.29Å; G30-I45 WeakPolarHBondContact CA-O 3.38Å
31N96.3Very high90.2Very high48 Ų4852.1 Ų52.126%0.25730%0.299SS..EExtended strand (participates in β ladder)trans-117142.7168.8-67.8-33.8000109.9A44 I45 F54 Q98N31-A44 VanDerWaalsContact O-CA 3.28Å; N31-A44 WeakPolarHBondContact O-CA 3.17Å; N31-I45 PolarHBondContact N-O 3.49Å; N31-I45 PolarHBondContact O-N 3.15Å; N31-F54 VanDerWaalsContact ND2-CD2 3.3Å; N31-F54 WeakPolarHBondContact ND2-CD2 3.28Å; N31-F54 WeakPolarHBondContact ND2-CE2 3.46Å; N31-Q98 PolarHBondContact O-NE2 3.43Å
32F96Very high90.5Very high45 Ų4549.3 Ų49.320%0.19728%0.28CS..EExtended strand (participates in β ladder)trans-112.9138.3179.2179.9-110.5000111.4V10 M12 F15 R34 L43V10-F32 HydrophobicContact CB-CD2 4.41Å; V10-F32 HydrophobicContact CB-CE2 3.99Å; V10-F32 HydrophobicContact CG1-CD2 4.3Å; V10-F32 HydrophobicContact CG1-CE2 4.11Å; V10-F32 WeakPolarHBondContact O-CE2 3.07Å; M12-F32 HydrophobicContact CB-CE1 3.76Å; M12-F32 HydrophobicContact CB-CZ 3.95Å; M12-F32 HydrophobicContact CG-CD1 4.4Å; M12-F32 HydrophobicContact CG-CE1 3.88Å; F15-F32 HydrophobicContact CB-CD2 4.16Å; F15-F32 HydrophobicContact CB-CG 4.42Å; F15-F32 HydrophobicContact CD1-CB 3.66Å; F15-F32 HydrophobicContact CD1-CG 4.14Å; F15-F32 HydrophobicContact CD2-CB 3.91Å; F15-F32 HydrophobicContact CD2-CD2 4.06Å; F15-F32 HydrophobicContact CD2-CG 4.3Å; F15-F32 HydrophobicContact CE1-CB 3.58Å; F15-F32 HydrophobicContact CE2-CB 3.82Å; F15-F32 HydrophobicContact CG-CB 3.83Å; F15-F32 HydrophobicContact CG-CD2 4.01Å; F15-F32 HydrophobicContact CG-CG 4.02Å; F15-F32 HydrophobicContact CZ-CB 3.67Å; F32-R34 HydrophobicContact CE1-CB 3.85Å; F32-R34 HydrophobicContact CE1-CG 4.2Å; F32-R34 HydrophobicContact CZ-CB 4.31Å; F32-R34 HydrophobicContact CZ-CG 4.38Å; F32-L43 CarbonylContact C-O 3.57Å; F32-L43 WeakPolarHBondContact CA-O 3.39Å; F32-L43 VanDerWaalsContact CD2-O 3.27Å; F32-L43 WeakPolarHBondContact CD2-O 3.18Å
33Q97.5Very high91.1Very high44 Ų4447.2 Ų47.221%0.20627%0.271CS..EExtended strand (participates in β ladder)trans-125.5110.8170.6175.856.450.400109.5G42 L43 N59 V96 Q98Q33-G42 CarbonylContact O-C 3.58Å; Q33-G42 WeakPolarHBondContact O-CA 2.93Å; Q33-L43 PolarHBondContact N-O 3.07Å; Q33-L43 PolarHBondContact O-N 2.77Å; Q33-N59 HydrophobicContact CG-CB 3.92Å; Q33-N59 PolarHBondContact OE1-ND2 3.09Å; Q33-V96 HydrophobicContact CG-CB 4.26Å; Q33-V96 HydrophobicContact CG-CG2 4.18Å; Q33-Q98 HydrophobicContact CB-CB 3.98Å; Q33-Q98 HydrophobicContact CB-CG 3.76Å; Q33-Q98 HydrophobicContact CG-CB 4.42Å
34R96.9Very high91.5Very high101 Ų10147.1 Ų47.138%0.38127%0.271SS..EExtended strand (participates in β ladder)trans-65.9145.3175.1-156.6175.584.5-157.27.9111.2F32 G37 V39 V96F32-R34 HydrophobicContact CE1-CB 3.85Å; F32-R34 HydrophobicContact CE1-CG 4.2Å; F32-R34 HydrophobicContact CZ-CB 4.31Å; F32-R34 HydrophobicContact CZ-CG 4.38Å; R34-G37 PolarHBondContact NH2-O 2.77Å; R34-V39 WeakPolarHBondContact CD-O 3.32Å; R34-V39 WeakPolarHBondContact CG-O 3.26Å; R34-V39 PolarHBondContact NE-O 2.81Å; R34-V39 VanDerWaalsContact NE-O 3.15Å; R34-V96 WeakPolarHBondContact O-CG1 2.73Å
35K96Very high91.8Very high18 Ų1843.4 Ų43.48%0.07825%0.251CS..PPolyproline II helixtrans-58.5157.6165-76.9175.9176.7172.60109.8V39 E41 P94 V96K35-V39 HydrophobicContact CB-CB 3.93Å; K35-V39 HydrophobicContact CB-CG1 3.83Å; K35-V39 HydrophobicContact CD-CG1 4.07Å; K35-E41 VanDerWaalsContact CB-O 3.29Å; K35-E41 WeakPolarHBondContact CB-O 3.42Å; K35-E41 WeakPolarHBondContact CE-OE1 3.42Å; K35-E41 PolarHBondContact N-O 2.65Å; K35-E41 IonicContact NZ-OE1 3.21Å; K35-E41 PolarHBondContact NZ-OE1 3.21Å; K35-P94 WeakPolarHBondContact CA-O 3.46Å; K35-P94 HydrophobicContact CB-CB 4.2Å; K35-P94 WeakPolarHBondContact CB-O 3.26Å; K35-V96 HydrophobicContact CG-CG2 4.21Å
36G94.1Very high92.1Very high6 Ų635.5 Ų35.56%0.06221%0.214CC..SBendtrans-62.5163.1178.900000113.2P94G36-P94 PolarHBondContact N-O 2.98Å; G36-P94 WeakPolarHBondContact O-CB 3.43Å
37G91.4Very high92.6Very high50 Ų5033.6 Ų33.652%0.51520%0.2SC..THydrogen-bonded Turntrans64.2-150.5-175.900000113.3R34 V39R34-G37 PolarHBondContact NH2-O 2.77Å; G37-V39 VanDerWaalsContact C-N 3.27Å; G37-V39 PolarHBondContact O-N 3.33Å
38D89.6Confident92.8Very high163 Ų16333.9 Ų33.987%0.87220%0.197SC*.THydrogen-bonded Turntrans-89.419.6-177.6-67.2-37.1000113.8A40D38-A40 PolarHBondContact O-N 3.42Å
39V90.5Very high93.1Very high50 Ų5037.9 Ų37.930%0.30321%0.212SC..  trans-72.1120.7178.2-179.70000109R34 K35 G37 E41 P94R34-V39 WeakPolarHBondContact CD-O 3.32Å; R34-V39 WeakPolarHBondContact CG-O 3.26Å; R34-V39 PolarHBondContact NE-O 2.81Å; R34-V39 VanDerWaalsContact NE-O 3.15Å; K35-V39 HydrophobicContact CB-CB 3.93Å; K35-V39 HydrophobicContact CB-CG1 3.83Å; K35-V39 HydrophobicContact CD-CG1 4.07Å; G37-V39 VanDerWaalsContact C-N 3.27Å; G37-V39 PolarHBondContact O-N 3.33Å; V39-E41 HydrophobicContact CG1-CB 3.85Å; V39-E41 PolarHBondContact O-N 3.25Å; V39-P94 HydrophobicContact CG2-CB 3.97Å; V39-P94 HydrophobicContact CG2-CG 4.05Å
40A88.9Confident93Very high47 Ų4742 Ų4239%0.38823%0.231SC..  trans-72-18.5179.300000113.6M12 D38M12-A40 WeakPolarHBondContact CB-O 3.34Å; M12-A40 PolarHBondContact N-O 2.83Å; D38-A40 PolarHBondContact O-N 3.42Å
41E88.3Confident92.9Very high36 Ų3643.4 Ų43.417%0.16823%0.231CC..EExtended strand (participates in β ladder)trans-84.1153.9-178.9-160.7-169.49100111.8E9 V10 K35 V39 K277E9-E41 VanDerWaalsContact CA-CG 3.41Å; E9-E41 VanDerWaalsContact CA-OE1 3.29Å; E9-E41 WeakPolarHBondContact CA-OE1 3.25Å; E9-E41 VanDerWaalsContact CB-CD 3.49Å; E9-E41 HydrophobicContact CB-CG 4.12Å; E9-E41 WeakPolarHBondContact CG-OE1 3.26Å; E9-E41 WeakPolarHBondContact O-CG 3.32Å; V10-E41 CarbonylContact O-C 3.56Å; V10-E41 VanDerWaalsContact O-CA 3.31Å; V10-E41 WeakPolarHBondContact O-CA 3.14Å; K35-E41 VanDerWaalsContact CB-O 3.29Å; K35-E41 WeakPolarHBondContact CB-O 3.42Å; K35-E41 WeakPolarHBondContact CE-OE1 3.42Å; K35-E41 PolarHBondContact N-O 2.65Å; K35-E41 IonicContact NZ-OE1 3.21Å; K35-E41 PolarHBondContact NZ-OE1 3.21Å; V39-E41 HydrophobicContact CG1-CB 3.85Å; V39-E41 PolarHBondContact O-N 3.25Å; E41-K277 IonicContact OE2-NZ 3.99Å; E41-K277 PolarHBondContact OE2-NZ 3.38Å
42G92.7Very high92.8Very high0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-159-159.7-177.700000113.7E9 V10 Q33E9-G42 PolarHBondContact N-O 2.77Å; V10-G42 PolarHBondContact N-O 2.68Å; V10-G42 PolarHBondContact O-N 3.26Å; Q33-G42 CarbonylContact O-C 3.58Å; Q33-G42 WeakPolarHBondContact O-CA 2.93Å
43L94.4Very high92.9Very high0 Ų042.8 Ų42.80%023%0.23CC..EExtended strand (participates in β ladder)trans-114.4149176-53.8-178000109L7 Q8 F32 Q33 V96 Q98 N116 H118L7-L43 CarbonylContact O-C 3.47Å; L7-L43 WeakPolarHBondContact O-CA 3.38Å; Q8-L43 HydrophobicContact CB-CD2 3.88Å; Q8-L43 HydrophobicContact CG-CD2 3.81Å; F32-L43 CarbonylContact C-O 3.57Å; F32-L43 WeakPolarHBondContact CA-O 3.39Å; F32-L43 VanDerWaalsContact CD2-O 3.27Å; F32-L43 WeakPolarHBondContact CD2-O 3.18Å; Q33-L43 PolarHBondContact N-O 3.07Å; Q33-L43 PolarHBondContact O-N 2.77Å; L43-V96 HydrophobicContact CD1-CG2 3.7Å; L43-V96 HydrophobicContact CG-CG2 3.87Å; L43-Q98 VanDerWaalsContact C-OE1 3.27Å; L43-Q98 HydrophobicContact CB-CB 4.1Å; L43-Q98 VanDerWaalsContact CB-OE1 3.3Å; L43-Q98 HydrophobicContact CD1-CB 3.94Å; L43-Q98 PolarHBondContact O-OE1 2.97Å; L43-N116 VanDerWaalsContact CD1-O 3.22Å; L43-N116 WeakPolarHBondContact CD1-O 3.3Å; L43-H118 HydrophobicContact CD2-CB 3.91Å
44A91.2Very high92.9Very high0 Ų044.7 Ų44.70%024%0.237CC..EExtended strand (participates in β ladder)trans-129.6142.616900000111.5C6 L7 V10 F15 N31 F46 Q98C6-A44 WeakPolarHBondContact CA-O 3.16Å; L7-A44 HydrophobicContact CB-CB 4.32Å; L7-A44 PolarHBondContact N-O 2.73Å; L7-A44 PolarHBondContact O-N 3.39Å; V10-A44 HydrophobicContact CG2-CB 4.04Å; F15-A44 HydrophobicContact CD2-CB 3.94Å; F15-A44 HydrophobicContact CE2-CB 3.88Å; N31-A44 VanDerWaalsContact O-CA 3.28Å; N31-A44 WeakPolarHBondContact O-CA 3.17Å; A44-F46 HydrophobicContact CB-CD2 4.13Å; A44-F46 HydrophobicContact CB-CE2 3.6Å; A44-F46 HydrophobicContact CB-CZ 4.48Å; A44-Q98 VanDerWaalsContact C-OE1 3.26Å
45I93.9Very high93Very high0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-119.2119.7168.1-68.6167.8000106.8I5 G30 N31 Q98 V114 N116I5-I45 CarbonylContact O-C 3.47Å; I5-I45 WeakPolarHBondContact O-CA 3.32Å; G30-I45 CarbonylContact C-O 3.53Å; G30-I45 VanDerWaalsContact CA-O 3.29Å; G30-I45 WeakPolarHBondContact CA-O 3.38Å; N31-I45 PolarHBondContact N-O 3.49Å; N31-I45 PolarHBondContact O-N 3.15Å; I45-Q98 HydrophobicContact CD1-CB 4.34Å; I45-Q98 HydrophobicContact CD1-CG 3.82Å; I45-Q98 HydrophobicContact CG1-CG 4.34Å; I45-V114 HydrophobicContact CD1-CB 4.4Å; I45-V114 HydrophobicContact CD1-CG1 4.09Å; I45-V114 WeakPolarHBondContact CD1-O 3.27Å; I45-V114 HydrophobicContact CG1-CG1 4.45Å; I45-V114 HydrophobicContact CG2-CG1 4.18Å; I45-N116 HydrophobicContact CD1-CB 3.99Å; I45-N116 HydrophobicContact CG1-CB 3.97Å
46F91Very high93.1Very high1 Ų144.6 Ų44.60%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-107.3145.3170.3-66.1-98.7000110.5L4 I5 L7 F15 W19 V20 L23 L28 C29 A44L4-F46 CarbonylContact C-O 3.57Å; L4-F46 VanDerWaalsContact CA-O 3.29Å; L4-F46 WeakPolarHBondContact CA-O 2.98Å; I5-F46 HydrophobicContact CB-CB 4.15Å; I5-F46 PolarHBondContact N-O 2.86Å; I5-F46 PolarHBondContact O-N 2.94Å; L7-F46 HydrophobicContact CD1-CD2 4.43Å; L7-F46 HydrophobicContact CD1-CE2 4.11Å; F15-F46 HydrophobicContact CD2-CE2 4.26Å; F15-F46 AromaticContact CD2-CZ 3.82Å; F15-F46 HydrophobicContact CD2-CZ 3.82Å; F15-F46 HydrophobicContact CE2-CE1 4.11Å; F15-F46 AromaticContact CE2-CE2 3.88Å; F15-F46 HydrophobicContact CE2-CE2 3.88Å; F15-F46 AromaticContact CE2-CZ 3.37Å; F15-F46 HydrophobicContact CE2-CZ 3.37Å; F15-F46 HydrophobicContact CZ-CZ 4.3Å; W19-F46 HydrophobicContact CB-CE2 4.35Å; W19-F46 HydrophobicContact CB-CZ 3.73Å; V20-F46 HydrophobicContact CG2-CE1 4.3Å; L23-F46 HydrophobicContact CB-CD1 3.93Å; L23-F46 HydrophobicContact CB-CE1 4.05Å; L23-F46 HydrophobicContact CD1-CB 4.29Å; L23-F46 HydrophobicContact CD1-CD1 3.49Å; L23-F46 VanDerWaalsContact CD1-CD1 3.49Å; L23-F46 HydrophobicContact CD1-CD2 3.67Å; L23-F46 HydrophobicContact CD1-CE1 3.58Å; L23-F46 HydrophobicContact CD1-CE2 3.74Å; L23-F46 HydrophobicContact CD1-CG 3.55Å; L23-F46 HydrophobicContact CD1-CZ 3.72Å; L23-F46 HydrophobicContact CG-CD1 4.36Å; L23-F46 HydrophobicContact CG-CE1 4.41Å; L28-F46 HydrophobicContact CB-CB 4.32Å; L28-F46 HydrophobicContact CD2-CB 3.98Å; C29-F46 CarbonylContact O-C 3.59Å; C29-F46 WeakPolarHBondContact O-CA 3.43Å; A44-F46 HydrophobicContact CB-CD2 4.13Å; A44-F46 HydrophobicContact CB-CE2 3.6Å; A44-F46 HydrophobicContact CB-CZ 4.48Å
47F92.7Very high93.3Very high11 Ų1147.3 Ų47.35%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-142.2145.2179.757.2-91000111.4D3 L4 L28 C29 R49 F52 F54 L102D3-F47 CarbonylContact O-C 3.57Å; D3-F47 VanDerWaalsContact O-CA 3.25Å; D3-F47 WeakPolarHBondContact O-CA 3.25Å; L4-F47 HydrophobicContact CD2-CB 3.48Å; L4-F47 VanDerWaalsContact CD2-CB 3.48Å; L28-F47 CarbonylContact C-O 3.51Å; L28-F47 VanDerWaalsContact CA-O 3.25Å; L28-F47 WeakPolarHBondContact CA-O 3.29Å; C29-F47 HydrophobicContact CB-CD2 4.43Å; C29-F47 HydrophobicContact CB-CE1 4.32Å; C29-F47 HydrophobicContact CB-CE2 3.82Å; C29-F47 HydrophobicContact CB-CZ 3.74Å; C29-F47 PolarHBondContact N-O 2.6Å; C29-F47 PolarHBondContact O-N 2.73Å; F47-R49 PolarHBondContact O-N 2.81Å; F47-F52 HydrophobicContact CB-CB 4.35Å; F47-F52 HydrophobicContact CB-CD2 4.09Å; F47-F52 HydrophobicContact CD2-CB 3.93Å; F47-F52 HydrophobicContact CG-CB 4.46Å; F47-F54 HydrophobicContact CE1-CB 4.35Å; F47-F54 HydrophobicContact CE1-CD2 4.47Å; F47-F54 HydrophobicContact CE2-CB 4.33Å; F47-F54 HydrophobicContact CZ-CB 3.71Å; F47-L102 HydrophobicContact CB-CD1 3.96Å; F47-L102 HydrophobicContact CD1-CD1 4.38Å; F47-L102 HydrophobicContact CD1-CD2 4.03Å; F47-L102 HydrophobicContact CD2-CD2 4.49Å; F47-L102 HydrophobicContact CE1-CD2 4.16Å; F47-L102 HydrophobicContact CG-CD1 4.15Å; F47-L102 HydrophobicContact CG-CD2 4.22Å; F47-L102 HydrophobicContact CZ-CD2 4.45Å
48N91.9Very high93.6Very high26 Ų2647.9 Ų47.914%0.13925%0.249CC..EExtended strand (participates in β ladder)trans-65.5115.5175.3-179.3-23.6000110.1D3 D50 K51 F52D3-N48 HydrophobicContact CB-CB 4.07Å; D3-N48 PolarHBondContact O-N 2.76Å; D3-N48 PolarHBondContact OD1-ND2 3Å; N48-D50 PolarHBondContact O-N 2.8Å; N48-D50 WeakPolarHBondContact OD1-CB 3.47Å; N48-D50 PolarHBondContact OD1-N 2.7Å; N48-K51 HydrophobicContact CB-CB 4.32Å; N48-K51 PolarHBondContact O-N 2.87Å; N48-K51 VanDerWaalsContact O-N 3.14Å; N48-F52 HydrophobicContact CB-CD2 4.48Å; N48-F52 PolarHBondContact O-N 2.97Å
49R94.9Very high94Very high88 Ų8842 Ų4233%0.33222%0.217SC..THydrogen-bonded Turntrans-67.7-19.7-174.276.7-170.562-159.8-3.8114.1N24 G27 L28 C29 F47N24-R49 VanDerWaalsContact OD1-CZ 3.31Å; N24-R49 PolarHBondContact OD1-NH1 2.93Å; N24-R49 VanDerWaalsContact OD1-NH1 3.09Å; N24-R49 PolarHBondContact OD1-NH2 2.77Å; G27-R49 VanDerWaalsContact O-CG 3.27Å; G27-R49 WeakPolarHBondContact O-CG 2.96Å; G27-R49 PolarHBondContact O-N 2.78Å; G27-R49 VanDerWaalsContact O-N 3.1Å; G27-R49 PolarHBondContact O-NE 3.22Å; L28-R49 VanDerWaalsContact C-NH2 3.31Å; L28-R49 PolarHBondContact O-NH2 2.7Å; C29-R49 PolarHBondContact SG-NE 3.2Å; C29-R49 PolarHBondContact SG-NH2 2.8Å; F47-R49 PolarHBondContact O-N 2.81Å
50D93.3Very high94.4Very high125 Ų12540.8 Ų40.867%0.66821%0.21SC*.THydrogen-bonded Turntrans-82.6-24.6178-61.7-23.7000111.3N48 S105N48-D50 PolarHBondContact O-N 2.8Å; N48-D50 WeakPolarHBondContact OD1-CB 3.47Å; N48-D50 PolarHBondContact OD1-N 2.7Å; D50-S105 WeakPolarHBondContact O-CB 3.32Å; D50-S105 PolarHBondContact O-OG 2.84Å
51K89.8Confident94.8Very high52 Ų5239.4 Ų39.423%0.22620%0.197CC..THydrogen-bonded Turntrans-100.3-25.7-179-68.2-171-172.9171.90113.8D3 N48 S105 F106 V327D3-K51 HydrophobicContact CB-CD 4.31Å; D3-K51 VanDerWaalsContact OD1-CD 3.29Å; D3-K51 WeakPolarHBondContact OD1-CD 3.46Å; D3-K51 VanDerWaalsContact OD1-CE 3.25Å; D3-K51 WeakPolarHBondContact OD1-CE 3.27Å; D3-K51 IonicContact OD1-NZ 2.77Å; D3-K51 PolarHBondContact OD1-NZ 3.14Å; D3-K51 IonicContact OD2-NZ 3.2Å; D3-K51 PolarHBondContact OD2-NZ 3.5Å; N48-K51 HydrophobicContact CB-CB 4.32Å; N48-K51 PolarHBondContact O-N 2.87Å; N48-K51 VanDerWaalsContact O-N 3.14Å; K51-S105 PolarHBondContact O-N 3.15Å; K51-F106 HydrophobicContact CB-CD1 3.94Å; K51-F106 HydrophobicContact CB-CE1 4.11Å; K51-F106 HydrophobicContact CG-CD1 4.3Å; K51-V327 PolarHBondContact NZ-O 3.42Å
52F94.9Very high95.3Very high2 Ų237.8 Ų37.81%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-133.1139.7-174.1-56.8-71.5000112.5D3 L4 F47 N48 L102 S103 F106 I112 V327D3-F52 HydrophobicContact CB-CE2 3.93Å; L4-F52 HydrophobicContact CD1-CE2 4.46Å; L4-F52 HydrophobicContact CD1-CZ 4.25Å; L4-F52 HydrophobicContact CD2-CD2 3.82Å; L4-F52 HydrophobicContact CD2-CE2 3.62Å; L4-F52 HydrophobicContact CD2-CG 4.41Å; L4-F52 HydrophobicContact CD2-CZ 4.1Å; L4-F52 HydrophobicContact CG-CE2 3.82Å; L4-F52 HydrophobicContact CG-CZ 4.1Å; F47-F52 HydrophobicContact CB-CB 4.35Å; F47-F52 HydrophobicContact CB-CD2 4.09Å; F47-F52 HydrophobicContact CD2-CB 3.93Å; F47-F52 HydrophobicContact CG-CB 4.46Å; N48-F52 HydrophobicContact CB-CD2 4.48Å; N48-F52 PolarHBondContact O-N 2.97Å; F52-L102 HydrophobicContact CB-CB 4.34Å; F52-L102 HydrophobicContact CB-CD1 4.23Å; F52-L102 HydrophobicContact CD1-CB 4.38Å; F52-L102 HydrophobicContact CD1-CD1 4.46Å; F52-L102 HydrophobicContact CG-CD1 4.26Å; F52-S103 VanDerWaalsContact CA-O 3.29Å; F52-S103 WeakPolarHBondContact CA-O 3.41Å; F52-F106 HydrophobicContact CD1-CE1 4.22Å; F52-F106 AromaticContact CE1-CE1 3.59Å; F52-F106 HydrophobicContact CE1-CE1 3.59Å; F52-F106 AromaticContact CE1-CZ 3.91Å; F52-F106 HydrophobicContact CE1-CZ 3.91Å; F52-F106 AromaticContact CZ-CE1 3.92Å; F52-F106 HydrophobicContact CZ-CE1 3.92Å; F52-F106 HydrophobicContact CZ-CZ 4.34Å; F52-I112 HydrophobicContact CE1-CD1 4Å; F52-V327 HydrophobicContact CZ-CB 4.4Å; F52-V327 HydrophobicContact CZ-CG2 3.79Å
53N96.9Very high95.5Very high79 Ų7938.6 Ų38.642%0.42220%0.195SC..EExtended strand (participates in β ladder)trans-110.5132.7168-54.1-81000109.7L55 L102 S103 S105N53-L55 PolarHBondContact O-N 3.24Å; N53-L102 CarbonylContact O-C 3.59Å; N53-L102 VanDerWaalsContact O-CA 3.3Å; N53-L102 WeakPolarHBondContact O-CA 3.48Å; N53-S103 WeakPolarHBondContact CB-OG 3.39Å; N53-S103 PolarHBondContact N-O 3.04Å; N53-S103 PolarHBondContact O-N 3.17Å; N53-S105 PolarHBondContact ND2-OG 3.29Å
54F98.1Very high95.6Very high83 Ų8344.3 Ų44.336%0.36422%0.222SC..EExtended strand (participates in β ladder)trans-72.4125.9175.5177.6-102000111N31 F47 K56 C57 L102N31-F54 VanDerWaalsContact ND2-CD2 3.3Å; N31-F54 WeakPolarHBondContact ND2-CD2 3.28Å; N31-F54 WeakPolarHBondContact ND2-CE2 3.46Å; F47-F54 HydrophobicContact CE1-CB 4.35Å; F47-F54 HydrophobicContact CE1-CD2 4.47Å; F47-F54 HydrophobicContact CE2-CB 4.33Å; F47-F54 HydrophobicContact CZ-CB 3.71Å; F54-K56 VanDerWaalsContact CE2-C 3.44Å; F54-K56 VanDerWaalsContact CE2-O 3.25Å; F54-K56 WeakPolarHBondContact CE2-O 3.39Å; F54-C57 HydrophobicContact CE2-CB 4.07Å; F54-C57 HydrophobicContact CZ-CB 3.87Å; F54-L102 HydrophobicContact CB-CD2 4.28Å; F54-L102 HydrophobicContact CD2-CD2 4.06Å
55L98.1Very high95.9Very high66 Ų6645.1 Ų45.135%0.34623%0.226SC..EExtended strand (participates in β ladder)trans-99-52.9177.3-58.5-177.8000111.6N53 V101 I111 F151N53-L55 PolarHBondContact O-N 3.24Å; L55-V101 HydrophobicContact CB-CB 4.46Å; L55-V101 HydrophobicContact CB-CG1 4.4Å; L55-V101 WeakPolarHBondContact CB-O 3.27Å; L55-V101 HydrophobicContact CD1-CG1 4.17Å; L55-V101 PolarHBondContact N-O 2.77Å; L55-I111 HydrophobicContact CD1-CD1 4.15Å; L55-I111 HydrophobicContact CD1-CG1 4.4Å; L55-I111 HydrophobicContact CD1-CG2 4.5Å; L55-F151 HydrophobicContact CD1-CE2 4.09Å; L55-F151 HydrophobicContact CD1-CZ 3.96Å
56K98.2Very high96.1Very high52 Ų5245.1 Ų45.123%0.22623%0.226CC..EExtended strand (participates in β ladder)trans-163.5166.9-179.760.9173.4-177164.40111.8F54 E58 V101 S146F54-K56 VanDerWaalsContact CE2-C 3.44Å; F54-K56 VanDerWaalsContact CE2-O 3.25Å; F54-K56 WeakPolarHBondContact CE2-O 3.39Å; K56-E58 HydrophobicContact CD-CG 4.49Å; K56-E58 WeakPolarHBondContact CE-OE1 3.44Å; K56-E58 IonicContact NZ-OE1 2.65Å; K56-E58 PolarHBondContact NZ-OE1 3.26Å; K56-V101 HydrophobicContact CG-CB 3.86Å; K56-V101 HydrophobicContact CG-CG2 3.8Å; K56-V101 PolarHBondContact O-N 3.46Å; K56-S146 PolarHBondContact NZ-OG 3.21Å; K56-S146 VanDerWaalsContact NZ-OG 3.09Å
57C98Very high96.3Very high62 Ų6247.8 Ų47.842%0.41925%0.248SC..EExtended strand (participates in β ladder)trans-121.8153.3166.767.10000110.8F54 V99F54-C57 HydrophobicContact CE2-CB 4.07Å; F54-C57 HydrophobicContact CZ-CB 3.87Å; C57-V99 CarbonylContact C-O 3.57Å; C57-V99 WeakPolarHBondContact CA-O 3.46Å; C57-V99 VanDerWaalsContact CB-O 3.26Å; C57-V99 WeakPolarHBondContact CB-O 3.42Å
58E98.1Very high96.4Very high63 Ų6350.4 Ų50.429%0.29427%0.268SS..  trans-13647.2-177.4-63.4-80.9-171.500109.1K56 V99 H139 V143K56-E58 HydrophobicContact CD-CG 4.49Å; K56-E58 WeakPolarHBondContact CE-OE1 3.44Å; K56-E58 IonicContact NZ-OE1 2.65Å; K56-E58 PolarHBondContact NZ-OE1 3.26Å; E58-V99 HydrophobicContact CB-CB 4.23Å; E58-V99 PolarHBondContact N-O 2.98Å; E58-H139 PolarHBondContact O-NE2 3.1Å; E58-V143 HydrophobicContact CB-CG1 4.35Å; E58-V143 HydrophobicContact CB-CG2 3.63Å; E58-V143 HydrophobicContact CG-CG1 4.04Å; E58-V143 HydrophobicContact CG-CG2 3.96Å
59N98.5Very high96.2Very high39 Ų3954 Ų5421%0.20928%0.28CS..  trans-72.1147.7-174.7-54.4-24.8000111.7Q33 L97 Q98 V99Q33-N59 HydrophobicContact CG-CB 3.92Å; Q33-N59 PolarHBondContact OE1-ND2 3.09Å; N59-L97 WeakPolarHBondContact CA-O 2.86Å; N59-Q98 WeakPolarHBondContact OD1-CA 3.3Å; N59-Q98 WeakPolarHBondContact OD1-CG 3.48Å; N59-V99 PolarHBondContact OD1-N 2.74Å; N59-V99 PolarHBondContact OD1-O 3.11Å
60V98Very high95.9Very high25 Ų2552.7 Ų52.715%0.15228%0.283CS..EExtended strand (participates in β ladder)trans-145.8144.9-177.8-70.30000112.3L62 L65 V96 L97 H139V60-L62 HydrophobicContact CG2-CD2 4.43Å; V60-L65 HydrophobicContact CB-CB 4.45Å; V60-L65 HydrophobicContact CB-CD2 4.33Å; V60-L65 HydrophobicContact CG1-CD1 4.3Å; V60-L65 HydrophobicContact CG2-CD2 3.97Å; V60-V96 CarbonylContact O-C 3.58Å; V60-V96 WeakPolarHBondContact O-CA 3.33Å; V60-V96 WeakPolarHBondContact O-CB 3.43Å; V60-L97 HydrophobicContact CG2-CB 3.86Å; V60-L97 HydrophobicContact CG2-CD2 4.48Å; V60-L97 PolarHBondContact N-O 2.92Å; V60-L97 PolarHBondContact O-N 3.12Å; V60-H139 VanDerWaalsContact CG1-CE1 3.45Å; V60-H139 WeakPolarHBondContact CG1-CE1 3.38Å; V60-H139 WeakPolarHBondContact CG1-NE2 3.28Å
61V98.2Very high95.5Very high18 Ų1852.2 Ų52.211%0.10929%0.29CS..EExtended strand (participates in β ladder)trans-84.6125.9161.7-1780000107.8S63 E64 L65 V96V61-S63 PolarHBondContact O-N 2.9Å; V61-E64 HydrophobicContact CB-CB 4.08Å; V61-E64 HydrophobicContact CB-CG 3.93Å; V61-E64 HydrophobicContact CG1-CB 4.44Å; V61-E64 HydrophobicContact CG1-CG 3.96Å; V61-E64 PolarHBondContact O-N 3.29Å; V61-L65 WeakPolarHBondContact O-CB 2.96Å; V61-L65 PolarHBondContact O-N 2.77Å; V61-V96 HydrophobicContact CB-CG1 4.25Å; V61-V96 HydrophobicContact CG2-CG1 3.77Å
62L98.5Very high95.5Very high2 Ų250.8 Ų50.81%0.0129%0.29CS..Hα-helixtrans-66.6-38.4-169-61.7-179.3000112.8V60 L65 V66 Q95 L97 Q132 A135V60-L62 HydrophobicContact CG2-CD2 4.43Å; L62-L65 PolarHBondContact O-N 3.2Å; L62-V66 WeakPolarHBondContact O-CG2 3.15Å; L62-V66 PolarHBondContact O-N 2.66Å; L62-Q95 HydrophobicContact CD1-CB 3.99Å; L62-Q95 PolarHBondContact N-O 2.8Å; L62-L97 HydrophobicContact CD2-CB 4.07Å; L62-Q132 HydrophobicContact CD1-CB 3.71Å; L62-Q132 HydrophobicContact CD1-CG 3.89Å; L62-A135 HydrophobicContact CD2-CB 4.26Å
63S97.5Very high95.5Very high17 Ų1751.1 Ų51.112%0.11929%0.291CS..Hα-helixtrans-64.9-45.5176.549.60000111.9V61 V66 A67 R93V61-S63 PolarHBondContact O-N 2.9Å; S63-V66 PolarHBondContact O-N 3.03Å; S63-A67 VanDerWaalsContact O-CB 3.23Å; S63-A67 WeakPolarHBondContact O-CB 3.29Å; S63-A67 PolarHBondContact O-N 3.3Å; S63-R93 PolarHBondContact OG-O 2.91Å
64E96.9Very high95.4Very high119 Ų11950.8 Ų50.856%0.55629%0.287SS*.Hα-helixtrans-63.9-41.1176.4-62173.4-164.900111.6V61 A67 S68V61-E64 HydrophobicContact CB-CB 4.08Å; V61-E64 HydrophobicContact CB-CG 3.93Å; V61-E64 HydrophobicContact CG1-CB 4.44Å; V61-E64 HydrophobicContact CG1-CG 3.96Å; V61-E64 PolarHBondContact O-N 3.29Å; E64-A67 PolarHBondContact O-N 3.49Å; E64-S68 WeakPolarHBondContact O-CB 3.29Å; E64-S68 PolarHBondContact O-N 3.04Å
65L97.2Very high95.2Very high18 Ų1850.6 Ų50.69%0.09429%0.285CS..Hα-helixtrans-59.9-50.6177.6179.466000111.5V60 V61 L62 S68 F73 H139V60-L65 HydrophobicContact CB-CB 4.45Å; V60-L65 HydrophobicContact CB-CD2 4.33Å; V60-L65 HydrophobicContact CG1-CD1 4.3Å; V60-L65 HydrophobicContact CG2-CD2 3.97Å; V61-L65 WeakPolarHBondContact O-CB 2.96Å; V61-L65 PolarHBondContact O-N 2.77Å; L62-L65 PolarHBondContact O-N 3.2Å; L65-S68 WeakPolarHBondContact O-CB 3.48Å; L65-S68 PolarHBondContact O-N 3.09Å; L65-S68 PolarHBondContact O-OG 3.05Å; L65-F73 HydrophobicContact CD1-CE1 4.37Å; L65-F73 HydrophobicContact CD1-CE2 4.08Å; L65-F73 HydrophobicContact CD1-CZ 3.97Å; L65-F73 HydrophobicContact CD2-CD1 4.26Å; L65-F73 HydrophobicContact CD2-CE1 3.44Å; L65-F73 VanDerWaalsContact CD2-CE1 3.44Å; L65-F73 HydrophobicContact CD2-CE2 4.47Å; L65-F73 HydrophobicContact CD2-CZ 3.57Å; L65-F73 HydrophobicContact CG-CD1 4.12Å; L65-F73 HydrophobicContact CG-CE1 3.74Å; L65-F73 HydrophobicContact CG-CE2 4.32Å; L65-F73 HydrophobicContact CG-CZ 3.84Å; L65-H139 HydrophobicContact CD2-CB 3.9Å
66V97.2Very high95.2Very high0 Ų047.5 Ų47.50%027%0.269CS..Hα-helixtrans-65.7-42.9178.5175.90000110.9L62 S63 S68 R69 F73 L76 D77 L80 F90 M91 A135L62-V66 WeakPolarHBondContact O-CG2 3.15Å; L62-V66 PolarHBondContact O-N 2.66Å; S63-V66 PolarHBondContact O-N 3.03Å; V66-S68 VanDerWaalsContact C-N 3.25Å; V66-S68 PolarHBondContact O-N 3.2Å; V66-R69 PolarHBondContact O-N 3.39Å; V66-F73 HydrophobicContact CG2-CD1 4.48Å; V66-L76 HydrophobicContact CG1-CB 3.93Å; V66-L76 HydrophobicContact CG2-CB 4.28Å; V66-L76 HydrophobicContact CG2-CD1 4.16Å; V66-D77 HydrophobicContact CG1-CB 4.04Å; V66-L80 HydrophobicContact CG1-CD1 3.78Å; V66-F90 HydrophobicContact CB-CE1 4.01Å; V66-F90 HydrophobicContact CB-CZ 4.5Å; V66-F90 HydrophobicContact CG1-CE1 4.43Å; V66-F90 HydrophobicContact CG2-CE1 3.89Å; V66-F90 HydrophobicContact CG2-CZ 3.87Å; V66-M91 HydrophobicContact CG1-CE 4.23Å; V66-A135 HydrophobicContact CG2-CB 4.05Å
67A95.5Very high95Very high57 Ų5745.3 Ų45.347%0.47126%0.26SS..Hα-helixtrans-63.1-29.617800000113.3S63 E64 R69 M91S63-A67 VanDerWaalsContact O-CB 3.23Å; S63-A67 WeakPolarHBondContact O-CB 3.29Å; S63-A67 PolarHBondContact O-N 3.3Å; E64-A67 PolarHBondContact O-N 3.49Å; A67-R69 PolarHBondContact O-N 2.89Å; A67-M91 HydrophobicContact CB-CE 4.19Å; A67-M91 HydrophobicContact CB-SD 4.39Å
68S94Very high94.9Very high65 Ų6546.2 Ų46.246%0.45526%0.26SS..THydrogen-bonded Turntrans-63.5-20.9177.778.20000113.5E64 L65 V66 S70E64-S68 WeakPolarHBondContact O-CB 3.29Å; E64-S68 PolarHBondContact O-N 3.04Å; L65-S68 WeakPolarHBondContact O-CB 3.48Å; L65-S68 PolarHBondContact O-N 3.09Å; L65-S68 PolarHBondContact O-OG 3.05Å; V66-S68 VanDerWaalsContact C-N 3.25Å; V66-S68 PolarHBondContact O-N 3.2Å; S68-S70 PolarHBondContact O-N 3.26Å; S68-S70 VanDerWaalsContact O-N 3.15Å; S68-S70 PolarHBondContact OG-N 3.38Å; S68-S70 PolarHBondContact OG-OG 3.25Å
69R89.1Confident94.8Very high103 Ų10343.5 Ų43.539%0.38925%0.248SC..THydrogen-bonded Turntrans47.136.5-170-57.9-169.873.6151.119113V66 A67 D77 D78V66-R69 PolarHBondContact O-N 3.39Å; A67-R69 PolarHBondContact O-N 2.89Å; R69-D77 WeakPolarHBondContact CD-OD2 3.45Å; R69-D77 HydrophobicContact CG-CB 4.27Å; R69-D77 IonicContact CZ-OD2 3.92Å; R69-D77 IonicContact NE-OD2 3.35Å; R69-D77 PolarHBondContact NE-OD2 3.42Å; R69-D77 IonicContact NH1-OD2 3.63Å; R69-D78 IonicContact CZ-OD1 3.42Å; R69-D78 IonicContact NH1-OD1 3.42Å; R69-D78 IonicContact NH2-OD1 2.65Å; R69-D78 PolarHBondContact NH2-OD1 3.31Å; R69-D78 IonicContact NH2-OD2 3.93Å
70S87.2Confident94.7Very high59 Ų5941.7 Ų41.741%0.41324%0.238SC..  trans-54.5150.3169.7-66.10000110S68 G72 F73S68-S70 PolarHBondContact O-N 3.26Å; S68-S70 VanDerWaalsContact O-N 3.15Å; S68-S70 PolarHBondContact OG-N 3.38Å; S68-S70 PolarHBondContact OG-OG 3.25Å; S70-G72 PolarHBondContact O-N 3.24Å; S70-G72 VanDerWaalsContact O-N 3.12Å; S70-F73 WeakPolarHBondContact O-CD2 3.37Å; S70-F73 PolarHBondContact O-N 3.09Å
71S86.3Confident94.6Very high116 Ų11645.3 Ų45.381%0.81125%0.252SS*.THydrogen-bonded Turntrans-48.6119.2-173.4-55.20000112.7
72G90.2Very high94.5Very high22 Ų2247.5 Ų47.523%0.22727%0.265CS..THydrogen-bonded Turntrans96.43.2178.800000115.6S70 E74 Y75 K138S70-G72 PolarHBondContact O-N 3.24Å; S70-G72 VanDerWaalsContact O-N 3.12Å; G72-E74 VanDerWaalsContact C-OE2 3.29Å; G72-E74 WeakPolarHBondContact CA-OE2 3.02Å; G72-E74 PolarHBondContact N-OE2 2.94Å; G72-Y75 WeakPolarHBondContact O-CD1 3.3Å; G72-Y75 WeakPolarHBondContact O-CE1 3.48Å; G72-K138 WeakPolarHBondContact O-CE 3.3Å
73F94.6Very high94.4Very high8 Ų848.2 Ų48.24%0.03527%0.269CS..  trans-105.3-1.2173.7-69.1-92.2000113.5L65 V66 S70 Y75 L76 D77 K138 H139L65-F73 HydrophobicContact CD1-CE1 4.37Å; L65-F73 HydrophobicContact CD1-CE2 4.08Å; L65-F73 HydrophobicContact CD1-CZ 3.97Å; L65-F73 HydrophobicContact CD2-CD1 4.26Å; L65-F73 HydrophobicContact CD2-CE1 3.44Å; L65-F73 VanDerWaalsContact CD2-CE1 3.44Å; L65-F73 HydrophobicContact CD2-CE2 4.47Å; L65-F73 HydrophobicContact CD2-CZ 3.57Å; L65-F73 HydrophobicContact CG-CD1 4.12Å; L65-F73 HydrophobicContact CG-CE1 3.74Å; L65-F73 HydrophobicContact CG-CE2 4.32Å; L65-F73 HydrophobicContact CG-CZ 3.84Å; V66-F73 HydrophobicContact CG2-CD1 4.48Å; S70-F73 WeakPolarHBondContact O-CD2 3.37Å; S70-F73 PolarHBondContact O-N 3.09Å; F73-Y75 VanDerWaalsContact C-N 3.26Å; F73-Y75 PolarHBondContact O-N 2.78Å; F73-L76 HydrophobicContact CD1-CD1 3.97Å; F73-L76 PolarHBondContact O-N 3.37Å; F73-L76 VanDerWaalsContact O-N 3.08Å; F73-D77 PolarHBondContact O-N 3.48Å; F73-K138 HydrophobicContact CD1-CG 4.18Å; F73-K138 HydrophobicContact CD2-CG 4.46Å; F73-K138 HydrophobicContact CE1-CB 3.86Å; F73-K138 HydrophobicContact CE1-CG 3.77Å; F73-K138 HydrophobicContact CE2-CG 4.09Å; F73-K138 HydrophobicContact CZ-CB 4.07Å; F73-K138 HydrophobicContact CZ-CG 3.72Å; F73-H139 HydrophobicContact CZ-CB 4.03Å
74E94.2Very high94.4Very high72 Ų7253.2 Ų53.234%0.33630%0.295SS..Hα-helixtrans-57.6-39.6-174.8-59.286.8163.900111.9G72 L76 D77 D78G72-E74 VanDerWaalsContact C-OE2 3.29Å; G72-E74 WeakPolarHBondContact CA-OE2 3.02Å; G72-E74 PolarHBondContact N-OE2 2.94Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.96Å; E74-D77 PolarHBondContact O-N 3.07Å; E74-D78 WeakPolarHBondContact O-CB 3.38Å; E74-D78 PolarHBondContact O-N 2.83Å
75Y94.4Very high94.3Very high80 Ų8053.5 Ų53.531%0.31430%0.296SS..Hα-helixtrans-65-28.6-179.676.6-81.5000113.7G72 F73 C79 L199G72-Y75 WeakPolarHBondContact O-CD1 3.3Å; G72-Y75 WeakPolarHBondContact O-CE1 3.48Å; F73-Y75 VanDerWaalsContact C-N 3.26Å; F73-Y75 PolarHBondContact O-N 2.78Å; Y75-C79 VanDerWaalsContact O-CB 3.27Å; Y75-C79 WeakPolarHBondContact O-CB 3.47Å; Y75-C79 PolarHBondContact O-N 3.35Å; Y75-C79 VanDerWaalsContact O-N 3.14Å; Y75-L199 HydrophobicContact CD2-CD1 3.77Å; Y75-L199 HydrophobicContact CD2-CD2 4.29Å; Y75-L199 HydrophobicContact CE2-CD1 3.99Å
76L96.8Very high94.3Very high1 Ų152.6 Ų52.61%0.00529%0.291CS..Hα-helixtrans-75.2-46.5175.1-70.3166.5000110.5V66 F73 E74 C79 L80 L131 A134 A135 L199V66-L76 HydrophobicContact CG1-CB 3.93Å; V66-L76 HydrophobicContact CG2-CB 4.28Å; V66-L76 HydrophobicContact CG2-CD1 4.16Å; F73-L76 HydrophobicContact CD1-CD1 3.97Å; F73-L76 PolarHBondContact O-N 3.37Å; F73-L76 VanDerWaalsContact O-N 3.08Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.96Å; L76-C79 PolarHBondContact O-N 3.26Å; L76-L80 VanDerWaalsContact O-CG 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.08Å; L76-L131 HydrophobicContact CD2-CD2 3.73Å; L76-A134 HydrophobicContact CD2-CB 3.94Å; L76-A135 HydrophobicContact CD1-CB 3.98Å; L76-L199 HydrophobicContact CD2-CD1 3.78Å
77D95.4Very high94.3Very high6 Ų654.4 Ų54.43%0.03230%0.3CS..Hα-helixtrans-62.4-43.3176.7177.956.4000111.7V66 R69 F73 E74 C79 L80 K81V66-D77 HydrophobicContact CG1-CB 4.04Å; R69-D77 WeakPolarHBondContact CD-OD2 3.45Å; R69-D77 HydrophobicContact CG-CB 4.27Å; R69-D77 IonicContact CZ-OD2 3.92Å; R69-D77 IonicContact NE-OD2 3.35Å; R69-D77 PolarHBondContact NE-OD2 3.42Å; R69-D77 IonicContact NH1-OD2 3.63Å; F73-D77 PolarHBondContact O-N 3.48Å; E74-D77 PolarHBondContact O-N 3.07Å; D77-C79 PolarHBondContact O-N 2.94Å; D77-L80 PolarHBondContact O-N 3.09Å; D77-K81 WeakPolarHBondContact O-CG 3.41Å; D77-K81 PolarHBondContact O-N 3.11Å; D77-K81 VanDerWaalsContact OD1-CE 3.3Å; D77-K81 WeakPolarHBondContact OD1-CE 3.3Å; D77-K81 IonicContact OD1-NZ 2.59Å; D77-K81 PolarHBondContact OD1-NZ 3.33Å; D77-K81 WeakPolarHBondContact OD2-CE 3.47Å; D77-K81 IonicContact OD2-NZ 3.92Å; D77-K81 PolarHBondContact OD2-NZ 2.64Å
78D95.3Very high94.4Very high80 Ų8057.6 Ų57.643%0.42831%0.305SS..Hα-helixtrans-64-39.1177.1-66.7-23.4000111.4R69 E74 T82R69-D78 IonicContact CZ-OD1 3.42Å; R69-D78 IonicContact NH1-OD1 3.42Å; R69-D78 IonicContact NH2-OD1 2.65Å; R69-D78 PolarHBondContact NH2-OD1 3.31Å; R69-D78 IonicContact NH2-OD2 3.93Å; E74-D78 WeakPolarHBondContact O-CB 3.38Å; E74-D78 PolarHBondContact O-N 2.83Å; D78-T82 WeakPolarHBondContact O-CG2 3.29Å
79C95.6Very high94.6Very high6 Ų655.8 Ų55.84%0.04129%0.29CS..Hα-helixtrans-64.2-47.3173.8176.60000112.2Y75 L76 D77 K81 T82 F196 L199Y75-C79 VanDerWaalsContact O-CB 3.27Å; Y75-C79 WeakPolarHBondContact O-CB 3.47Å; Y75-C79 PolarHBondContact O-N 3.35Å; Y75-C79 VanDerWaalsContact O-N 3.14Å; L76-C79 PolarHBondContact O-N 3.26Å; D77-C79 PolarHBondContact O-N 2.94Å; C79-K81 VanDerWaalsContact C-N 3.28Å; C79-K81 PolarHBondContact O-N 3.15Å; C79-T82 WeakPolarHBondContact O-CB 3.3Å; C79-T82 WeakPolarHBondContact O-CG2 3.26Å; C79-T82 PolarHBondContact O-N 2.88Å; C79-T82 VanDerWaalsContact O-N 3.09Å; C79-T82 PolarHBondContact O-OG1 3.21Å; C79-F196 WeakPolarHBondContact SG-CE2 3.35Å; C79-L199 HydrophobicContact CB-CD1 3.71Å; C79-L199 HydrophobicContact CB-CD2 3.8Å; C79-L199 HydrophobicContact CB-CG 3.81Å
80L96.2Very high95Very high1 Ų151 Ų511%0.00527%0.272CS..Hα-helixtrans-57.7-42.2178.5-73.1171.2000111.3V66 L76 D77 T82 N83 V86 Q87 F90 M91 L131V66-L80 HydrophobicContact CG1-CD1 3.78Å; L76-L80 VanDerWaalsContact O-CG 3.32Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.08Å; D77-L80 PolarHBondContact O-N 3.09Å; L80-T82 PolarHBondContact O-N 3.13Å; L80-T82 VanDerWaalsContact O-N 3.09Å; L80-N83 PolarHBondContact O-N 3.1Å; L80-N83 VanDerWaalsContact O-O 3.07Å; L80-V86 HydrophobicContact CD2-CG1 4.1Å; L80-Q87 HydrophobicContact CB-CB 4.35Å; L80-Q87 HydrophobicContact CB-CG 4.2Å; L80-Q87 WeakPolarHBondContact O-CB 3.25Å; L80-F90 HydrophobicContact CD1-CB 4.35Å; L80-F90 HydrophobicContact CD1-CD1 3.49Å; L80-F90 VanDerWaalsContact CD1-CD1 3.49Å; L80-F90 HydrophobicContact CD1-CE1 3.89Å; L80-F90 HydrophobicContact CD1-CG 3.93Å; L80-F90 HydrophobicContact CD2-CB 3.58Å; L80-F90 HydrophobicContact CD2-CD1 4.24Å; L80-F90 HydrophobicContact CD2-CD2 4.32Å; L80-F90 HydrophobicContact CD2-CG 3.8Å; L80-M91 HydrophobicContact CD1-CE 3.79Å; L80-L131 HydrophobicContact CD2-CD1 3.67Å
81K95.4Very high95.5Very high102 Ų10250.6 Ų50.644%0.44326%0.264SS..THydrogen-bonded Turntrans-65.6-8.6179.1-75.2169.8177.5166.10115.2D77 C79 N83D77-K81 WeakPolarHBondContact O-CG 3.41Å; D77-K81 PolarHBondContact O-N 3.11Å; D77-K81 VanDerWaalsContact OD1-CE 3.3Å; D77-K81 WeakPolarHBondContact OD1-CE 3.3Å; D77-K81 IonicContact OD1-NZ 2.59Å; D77-K81 PolarHBondContact OD1-NZ 3.33Å; D77-K81 WeakPolarHBondContact OD2-CE 3.47Å; D77-K81 IonicContact OD2-NZ 3.92Å; D77-K81 PolarHBondContact OD2-NZ 2.64Å; C79-K81 VanDerWaalsContact C-N 3.28Å; C79-K81 PolarHBondContact O-N 3.15Å; K81-N83 PolarHBondContact O-N 2.82Å
82T96Very high96Very high63 Ų6348.2 Ų48.239%0.38725%0.247SC..THydrogen-bonded Turntrans-74.5-16.4175.266.40000113.1D78 C79 L80 G195D78-T82 WeakPolarHBondContact O-CG2 3.29Å; C79-T82 WeakPolarHBondContact O-CB 3.3Å; C79-T82 WeakPolarHBondContact O-CG2 3.26Å; C79-T82 PolarHBondContact O-N 2.88Å; C79-T82 VanDerWaalsContact O-N 3.09Å; C79-T82 PolarHBondContact O-OG1 3.21Å; L80-T82 PolarHBondContact O-N 3.13Å; L80-T82 VanDerWaalsContact O-N 3.09Å; T82-G195 WeakPolarHBondContact CB-O 3.46Å; T82-G195 PolarHBondContact OG1-O 2.84Å
83N97Very high96.3Very high18 Ų1850.6 Ų50.610%0.09625%0.25CC..  trans-151.2118.6178.3-178.2-75.6000111.7L80 K81 E85 V86 Q87 P194 F196L80-N83 PolarHBondContact O-N 3.1Å; L80-N83 VanDerWaalsContact O-O 3.07Å; K81-N83 PolarHBondContact O-N 2.82Å; N83-E85 VanDerWaalsContact C-N 3.32Å; N83-E85 PolarHBondContact O-N 2.97Å; N83-E85 WeakPolarHBondContact OD1-CA 3.46Å; N83-E85 WeakPolarHBondContact OD1-CB 3.29Å; N83-E85 PolarHBondContact OD1-N 2.95Å; N83-V86 HydrophobicContact CB-CB 4.25Å; N83-V86 HydrophobicContact CB-CG2 4.19Å; N83-V86 PolarHBondContact O-N 3.13Å; N83-V86 PolarHBondContact OD1-N 3.38Å; N83-Q87 WeakPolarHBondContact O-CB 3.43Å; N83-Q87 PolarHBondContact O-N 3.01Å; N83-P194 PolarHBondContact ND2-O 3.44Å; N83-F196 HydrophobicContact CB-CB 3.81Å
84D96.7Very high96.4Very high121 Ų12151.8 Ų51.865%0.64726%0.258SS*.Hα-helixtrans-60.5-37.1-176.6-67.5-19.4000113.1Q87 Q88D84-Q87 PolarHBondContact O-N 2.91Å; D84-Q88 WeakPolarHBondContact O-CB 3.14Å; D84-Q88 WeakPolarHBondContact O-CG 3.25Å; D84-Q88 PolarHBondContact O-N 2.87Å
85E96.5Very high96.6Very high125 Ų12549 Ų4958%0.58425%0.245SC*.Hα-helixtrans-66.3-47.3-179.7-176-179.917100111.2N83 Q87 Q88 L89 F193N83-E85 VanDerWaalsContact C-N 3.32Å; N83-E85 PolarHBondContact O-N 2.97Å; N83-E85 WeakPolarHBondContact OD1-CA 3.46Å; N83-E85 WeakPolarHBondContact OD1-CB 3.29Å; N83-E85 PolarHBondContact OD1-N 2.95Å; E85-Q87 VanDerWaalsContact C-N 3.34Å; E85-Q87 PolarHBondContact O-N 3.38Å; E85-Q88 PolarHBondContact O-N 3.02Å; E85-L89 VanDerWaalsContact O-CB 3.31Å; E85-L89 WeakPolarHBondContact O-CB 3.19Å; E85-L89 PolarHBondContact O-N 2.79Å; E85-F193 HydrophobicContact CG-CE1 4.46Å
86V96.8Very high96.8Very high0 Ų045.3 Ų45.30%023%0.231CC..Hα-helixtrans-63.1-42.8176.3177.70000110.6L80 N83 L89 F90 I128 L131 F193 F196L80-V86 HydrophobicContact CD2-CG1 4.1Å; N83-V86 HydrophobicContact CB-CB 4.25Å; N83-V86 HydrophobicContact CB-CG2 4.19Å; N83-V86 PolarHBondContact O-N 3.13Å; N83-V86 PolarHBondContact OD1-N 3.38Å; V86-L89 PolarHBondContact O-N 2.99Å; V86-F90 PolarHBondContact O-N 2.82Å; V86-I128 HydrophobicContact CG1-CD1 4.05Å; V86-L131 HydrophobicContact CG1-CD1 4.28Å; V86-F193 HydrophobicContact CG2-CB 3.99Å; V86-F193 HydrophobicContact CG2-CD1 3.78Å; V86-F193 HydrophobicContact CG2-CD2 4.08Å; V86-F193 HydrophobicContact CG2-CE1 4.27Å; V86-F193 HydrophobicContact CG2-CG 3.67Å; V86-F196 HydrophobicContact CB-CD2 4.28Å; V86-F196 HydrophobicContact CG1-CD2 4.01Å; V86-F196 HydrophobicContact CG1-CE2 3.74Å; V86-F196 HydrophobicContact CG1-CZ 4.2Å; V86-F196 HydrophobicContact CG2-CB 4.42Å; V86-F196 HydrophobicContact CG2-CD1 4.46Å; V86-F196 HydrophobicContact CG2-CD2 4.15Å; V86-F196 HydrophobicContact CG2-CG 4.09Å
87Q97.3Very high96.9Very high37 Ų3745.2 Ų45.217%0.17323%0.23CC..Hα-helixtrans-59.4-51.6176.3-17117737.800111.9L80 N83 D84 E85 L89 F90 M91L80-Q87 HydrophobicContact CB-CB 4.35Å; L80-Q87 HydrophobicContact CB-CG 4.2Å; L80-Q87 WeakPolarHBondContact O-CB 3.25Å; N83-Q87 WeakPolarHBondContact O-CB 3.43Å; N83-Q87 PolarHBondContact O-N 3.01Å; D84-Q87 PolarHBondContact O-N 2.91Å; E85-Q87 VanDerWaalsContact C-N 3.34Å; E85-Q87 PolarHBondContact O-N 3.38Å; Q87-L89 VanDerWaalsContact C-N 3.29Å; Q87-L89 PolarHBondContact O-N 3.44Å; Q87-F90 PolarHBondContact O-N 2.86Å; Q87-M91 HydrophobicContact CG-CG 4.13Å; Q87-M91 VanDerWaalsContact O-CB 3.31Å; Q87-M91 WeakPolarHBondContact O-CB 3.05Å; Q87-M91 VanDerWaalsContact O-CG 3.25Å; Q87-M91 WeakPolarHBondContact O-CG 3.33Å; Q87-M91 PolarHBondContact O-N 2.81Å
88Q97.7Very high97Very high125 Ų12545 Ų4558%0.58423%0.229SC*.Hα-helixtrans-62.6-39.6179.9-70.8-58.7-31.800111.2D84 E85 S92D84-Q88 WeakPolarHBondContact O-CB 3.14Å; D84-Q88 WeakPolarHBondContact O-CG 3.25Å; D84-Q88 PolarHBondContact O-N 2.87Å; E85-Q88 PolarHBondContact O-N 3.02Å; Q88-S92 WeakPolarHBondContact O-CB 3.44Å; Q88-S92 PolarHBondContact O-N 2.92Å; Q88-S92 PolarHBondContact O-OG 2.93Å
89L97Very high97.2Very high27 Ų2741.1 Ų41.114%0.14121%0.208CC..Hα-helixtrans-62-51.6177.5-176.456.3000110.9E85 V86 Q87 S92 R93 D125 I128E85-L89 VanDerWaalsContact O-CB 3.31Å; E85-L89 WeakPolarHBondContact O-CB 3.19Å; E85-L89 PolarHBondContact O-N 2.79Å; V86-L89 PolarHBondContact O-N 2.99Å; Q87-L89 VanDerWaalsContact C-N 3.29Å; Q87-L89 PolarHBondContact O-N 3.44Å; L89-S92 PolarHBondContact O-OG 2.89Å; L89-R93 VanDerWaalsContact O-CG 3.26Å; L89-R93 WeakPolarHBondContact O-CG 3.04Å; L89-R93 PolarHBondContact O-NE 2.85Å; L89-R93 VanDerWaalsContact O-NE 3.11Å; L89-D125 HydrophobicContact CD2-CB 4.4Å; L89-I128 HydrophobicContact CB-CD1 4.12Å; L89-I128 HydrophobicContact CD2-CD1 3.9Å; L89-I128 HydrophobicContact CD2-CG1 3.58Å; L89-I128 HydrophobicContact CG-CD1 3.91Å; L89-I128 HydrophobicContact CG-CG1 3.85Å
90F97.9Very high97.3Very high3 Ų340.9 Ų40.91%0.01321%0.207CC..Hα-helixtrans-62.1-49.3178-175.8-87.2000112.4V66 L80 V86 Q87 S92 R93 I128 L131 Q132V66-F90 HydrophobicContact CB-CE1 4.01Å; V66-F90 HydrophobicContact CB-CZ 4.5Å; V66-F90 HydrophobicContact CG1-CE1 4.43Å; V66-F90 HydrophobicContact CG2-CE1 3.89Å; V66-F90 HydrophobicContact CG2-CZ 3.87Å; L80-F90 HydrophobicContact CD1-CB 4.35Å; L80-F90 HydrophobicContact CD1-CD1 3.49Å; L80-F90 VanDerWaalsContact CD1-CD1 3.49Å; L80-F90 HydrophobicContact CD1-CE1 3.89Å; L80-F90 HydrophobicContact CD1-CG 3.93Å; L80-F90 HydrophobicContact CD2-CB 3.58Å; L80-F90 HydrophobicContact CD2-CD1 4.24Å; L80-F90 HydrophobicContact CD2-CD2 4.32Å; L80-F90 HydrophobicContact CD2-CG 3.8Å; V86-F90 PolarHBondContact O-N 2.82Å; Q87-F90 PolarHBondContact O-N 2.86Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 3.1Å; F90-R93 WeakPolarHBondContact O-CB 3.4Å; F90-R93 PolarHBondContact O-N 3.03Å; F90-R93 VanDerWaalsContact O-N 3.16Å; F90-I128 HydrophobicContact CB-CD1 4.13Å; F90-I128 HydrophobicContact CD2-CG2 4.32Å; F90-L131 HydrophobicContact CD2-CB 3.86Å; F90-L131 HydrophobicContact CD2-CD1 4.37Å; F90-L131 HydrophobicContact CE2-CB 3.68Å; F90-Q132 HydrophobicContact CD2-CG 4.2Å; F90-Q132 HydrophobicContact CE2-CB 4.48Å; F90-Q132 HydrophobicContact CE2-CG 3.64Å; F90-Q132 HydrophobicContact CZ-CG 4.45Å
91M97.5Very high97.4Very high50 Ų5040.8 Ų40.825%0.24621%0.206CC..Hα-helixtrans-70-27.6-173.6-67.9-60-172.300113.2V66 A67 L80 Q87 R93V66-M91 HydrophobicContact CG1-CE 4.23Å; A67-M91 HydrophobicContact CB-CE 4.19Å; A67-M91 HydrophobicContact CB-SD 4.39Å; L80-M91 HydrophobicContact CD1-CE 3.79Å; Q87-M91 HydrophobicContact CG-CG 4.13Å; Q87-M91 VanDerWaalsContact O-CB 3.31Å; Q87-M91 WeakPolarHBondContact O-CB 3.05Å; Q87-M91 VanDerWaalsContact O-CG 3.25Å; Q87-M91 WeakPolarHBondContact O-CG 3.33Å; Q87-M91 PolarHBondContact O-N 2.81Å; M91-R93 PolarHBondContact O-N 3.38Å
92S96.8Very high97.5Very high65 Ų6536 Ų3646%0.45519%0.185SC..THydrogen-bonded Turntrans-79.3-4.4175.861.30000114Q88 L89 F90Q88-S92 WeakPolarHBondContact O-CB 3.44Å; Q88-S92 PolarHBondContact O-N 2.92Å; Q88-S92 PolarHBondContact O-OG 2.93Å; L89-S92 PolarHBondContact O-OG 2.89Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 3.1Å
93R97Very high97.5Very high73 Ų7334.5 Ų34.528%0.27518%0.177SC..  trans-85.2138.6-179-73.8-33.583.4-175.33.2112.1S63 L89 F90 M91 Q95 H120 I128S63-R93 PolarHBondContact OG-O 2.91Å; L89-R93 VanDerWaalsContact O-CG 3.26Å; L89-R93 WeakPolarHBondContact O-CG 3.04Å; L89-R93 PolarHBondContact O-NE 2.85Å; L89-R93 VanDerWaalsContact O-NE 3.11Å; F90-R93 WeakPolarHBondContact O-CB 3.4Å; F90-R93 PolarHBondContact O-N 3.03Å; F90-R93 VanDerWaalsContact O-N 3.16Å; M91-R93 PolarHBondContact O-N 3.38Å; R93-Q95 VanDerWaalsContact C-N 3.33Å; R93-Q95 PolarHBondContact O-N 2.97Å; R93-H120 WeakPolarHBondContact CD-ND1 3.28Å; R93-I128 HydrophobicContact CG-CG2 4.46Å
94P97Very high97.2Very high33 Ų3333.7 Ų33.721%0.21417%0.173CC..  trans-92.817.5-177.239.9-39.1000113.5K35 G36 V39K35-P94 WeakPolarHBondContact CA-O 3.46Å; K35-P94 HydrophobicContact CB-CB 4.2Å; K35-P94 WeakPolarHBondContact CB-O 3.26Å; G36-P94 PolarHBondContact N-O 2.98Å; G36-P94 WeakPolarHBondContact O-CB 3.43Å; V39-P94 HydrophobicContact CG2-CB 3.97Å; V39-P94 HydrophobicContact CG2-CG 4.05Å
95Q98.2Very high96.9Very high13 Ų1330.6 Ų30.66%0.06116%0.161CC..  trans-64144-174.6-88.274.363.800112.4L62 R93 H118L62-Q95 HydrophobicContact CD1-CB 3.99Å; L62-Q95 PolarHBondContact N-O 2.8Å; R93-Q95 VanDerWaalsContact C-N 3.33Å; R93-Q95 PolarHBondContact O-N 2.97Å; Q95-H118 WeakPolarHBondContact CG-O 3.43Å
96V98.5Very high96.4Very high2 Ų227.9 Ų27.91%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-129.7153.4-176.6-690000110.8Q33 R34 K35 L43 V60 V61 T117Q33-V96 HydrophobicContact CG-CB 4.26Å; Q33-V96 HydrophobicContact CG-CG2 4.18Å; R34-V96 WeakPolarHBondContact O-CG1 2.73Å; K35-V96 HydrophobicContact CG-CG2 4.21Å; L43-V96 HydrophobicContact CD1-CG2 3.7Å; L43-V96 HydrophobicContact CG-CG2 3.87Å; V60-V96 CarbonylContact O-C 3.58Å; V60-V96 WeakPolarHBondContact O-CA 3.33Å; V60-V96 WeakPolarHBondContact O-CB 3.43Å; V61-V96 HydrophobicContact CB-CG1 4.25Å; V61-V96 HydrophobicContact CG2-CG1 3.77Å; V96-T117 PolarHBondContact O-OG1 2.84Å
97L98.7Very high95.9Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-110118.8162.617668000107.4N59 V60 L62 V99 A115 C136 H139 F160N59-L97 WeakPolarHBondContact CA-O 2.86Å; V60-L97 HydrophobicContact CG2-CB 3.86Å; V60-L97 HydrophobicContact CG2-CD2 4.48Å; V60-L97 PolarHBondContact N-O 2.92Å; V60-L97 PolarHBondContact O-N 3.12Å; L62-L97 HydrophobicContact CD2-CB 4.07Å; L97-V99 HydrophobicContact CD1-CG2 4.42Å; L97-V99 HydrophobicContact CD2-CG2 3.88Å; L97-V99 HydrophobicContact CG-CG2 3.74Å; L97-A115 HydrophobicContact CD1-CB 4.09Å; L97-C136 HydrophobicContact CD1-CB 4.26Å; L97-C136 HydrophobicContact CD2-CB 4.06Å; L97-C136 WeakPolarHBondContact CD2-O 3.4Å; L97-H139 HydrophobicContact CD2-CB 4.15Å; L97-F160 HydrophobicContact CD1-CE2 3.9Å; L97-F160 HydrophobicContact CD1-CZ 4.48Å
98Q98.7Very high95.5Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-91.6132.8170.3-172.1-179.325.300108.7N31 Q33 L43 A44 I45 N59 A115 N116N31-Q98 PolarHBondContact O-NE2 3.43Å; Q33-Q98 HydrophobicContact CB-CB 3.98Å; Q33-Q98 HydrophobicContact CB-CG 3.76Å; Q33-Q98 HydrophobicContact CG-CB 4.42Å; L43-Q98 VanDerWaalsContact C-OE1 3.27Å; L43-Q98 HydrophobicContact CB-CB 4.1Å; L43-Q98 VanDerWaalsContact CB-OE1 3.3Å; L43-Q98 HydrophobicContact CD1-CB 3.94Å; L43-Q98 PolarHBondContact O-OE1 2.97Å; A44-Q98 VanDerWaalsContact C-OE1 3.26Å; I45-Q98 HydrophobicContact CD1-CB 4.34Å; I45-Q98 HydrophobicContact CD1-CG 3.82Å; I45-Q98 HydrophobicContact CG1-CG 4.34Å; N59-Q98 WeakPolarHBondContact OD1-CA 3.3Å; N59-Q98 WeakPolarHBondContact OD1-CG 3.48Å; Q98-A115 CarbonylContact O-C 3.36Å; Q98-A115 VanDerWaalsContact O-CA 3.28Å; Q98-A115 WeakPolarHBondContact O-CA 3.27Å; Q98-N116 HydrophobicContact CB-CB 4.39Å; Q98-N116 PolarHBondContact N-O 2.78Å; Q98-N116 PolarHBondContact O-N 3.46Å
99V98.7Very high95.2Very high0 Ų034.8 Ų34.80%019%0.185CC..EExtended strand (participates in β ladder)trans-134.2120.4178.9-172.30000109.4C57 E58 N59 L97 I113 V114 A115 L140 V143C57-V99 CarbonylContact C-O 3.57Å; C57-V99 WeakPolarHBondContact CA-O 3.46Å; C57-V99 VanDerWaalsContact CB-O 3.26Å; C57-V99 WeakPolarHBondContact CB-O 3.42Å; E58-V99 HydrophobicContact CB-CB 4.23Å; E58-V99 PolarHBondContact N-O 2.98Å; N59-V99 PolarHBondContact OD1-N 2.74Å; N59-V99 PolarHBondContact OD1-O 3.11Å; L97-V99 HydrophobicContact CD1-CG2 4.42Å; L97-V99 HydrophobicContact CD2-CG2 3.88Å; L97-V99 HydrophobicContact CG-CG2 3.74Å; V99-I113 HydrophobicContact CG1-CG2 3.51Å; V99-V114 CarbonylContact C-O 3.53Å; V99-V114 WeakPolarHBondContact CA-O 3.21Å; V99-A115 HydrophobicContact CG2-CB 4.47Å; V99-L140 HydrophobicContact CG1-CD1 4.34Å; V99-V143 HydrophobicContact CG1-CG1 4.05Å
100S98.5Very high94.9Very high0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-113.2130.9171.9-66.10000110.4V114S100-V114 PolarHBondContact N-O 2.71Å; S100-V114 PolarHBondContact O-N 2.8Å
101V98.2Very high94.7Very high0 Ų034.1 Ų34.10%018%0.182CC..EExtended strand (participates in β ladder)trans-103121.9175.1-172.20000108.4L55 K56 I111 I113 V143 V147L55-V101 HydrophobicContact CB-CB 4.46Å; L55-V101 HydrophobicContact CB-CG1 4.4Å; L55-V101 WeakPolarHBondContact CB-O 3.27Å; L55-V101 HydrophobicContact CD1-CG1 4.17Å; L55-V101 PolarHBondContact N-O 2.77Å; K56-V101 HydrophobicContact CG-CB 3.86Å; K56-V101 HydrophobicContact CG-CG2 3.8Å; K56-V101 PolarHBondContact O-N 3.46Å; V101-I111 HydrophobicContact CG1-CG2 3.59Å; V101-I113 HydrophobicContact CG1-CG1 4.33Å; V101-I113 HydrophobicContact CG2-CG1 4.31Å; V101-V143 HydrophobicContact CG2-CG1 4.28Å; V101-V147 HydrophobicContact CG1-CG1 4.2Å; V101-V147 HydrophobicContact CG1-CG2 3.83Å; V101-V147 HydrophobicContact CG2-CG2 3.93Å
102L96.7Very high94.5Very high0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-124.1135.1-172.4-53.3178.7000110.7L4 F47 F52 N53 F54 I111 I112 V114L4-L102 HydrophobicContact CD2-CD1 3.61Å; F47-L102 HydrophobicContact CB-CD1 3.96Å; F47-L102 HydrophobicContact CD1-CD1 4.38Å; F47-L102 HydrophobicContact CD1-CD2 4.03Å; F47-L102 HydrophobicContact CD2-CD2 4.49Å; F47-L102 HydrophobicContact CE1-CD2 4.16Å; F47-L102 HydrophobicContact CG-CD1 4.15Å; F47-L102 HydrophobicContact CG-CD2 4.22Å; F47-L102 HydrophobicContact CZ-CD2 4.45Å; F52-L102 HydrophobicContact CB-CB 4.34Å; F52-L102 HydrophobicContact CB-CD1 4.23Å; F52-L102 HydrophobicContact CD1-CB 4.38Å; F52-L102 HydrophobicContact CD1-CD1 4.46Å; F52-L102 HydrophobicContact CG-CD1 4.26Å; N53-L102 CarbonylContact O-C 3.59Å; N53-L102 VanDerWaalsContact O-CA 3.3Å; N53-L102 WeakPolarHBondContact O-CA 3.48Å; F54-L102 HydrophobicContact CB-CD2 4.28Å; F54-L102 HydrophobicContact CD2-CD2 4.06Å; L102-I111 WeakPolarHBondContact O-CA 3.48Å; L102-I112 PolarHBondContact N-O 2.92Å; L102-I112 PolarHBondContact O-N 3.21Å; L102-V114 HydrophobicContact CD1-CG2 3.98Å
103S95.5Very high94.5Very high32 Ų3228.6 Ų28.622%0.22415%0.148CC..EExtended strand (participates in β ladder)trans-88.6149.9163.1650000110.5F52 N53F52-S103 VanDerWaalsContact CA-O 3.29Å; F52-S103 WeakPolarHBondContact CA-O 3.41Å; N53-S103 WeakPolarHBondContact CB-OG 3.39Å; N53-S103 PolarHBondContact N-O 3.04Å; N53-S103 PolarHBondContact O-N 3.17Å
104C90.8Very high94.5Very high2 Ų225.1 Ų25.11%0.01414%0.135CC..EExtended strand (participates in β ladder)trans-98.3114.9-178.2-57.80000110.9F106 N107 V110C104-F106 HydrophobicContact CB-CD1 4.2Å; C104-F106 HydrophobicContact CB-CD2 4.29Å; C104-F106 HydrophobicContact CB-CE1 3.74Å; C104-F106 HydrophobicContact CB-CE2 3.79Å; C104-F106 HydrophobicContact CB-CG 4.46Å; C104-F106 HydrophobicContact CB-CZ 3.51Å; C104-F106 PolarHBondContact O-N 2.88Å; C104-N107 HydrophobicContact CB-CB 4.49Å; C104-N107 WeakPolarHBondContact CB-O 3.42Å; C104-N107 CarbonylContact O-C 3.42Å; C104-N107 PolarHBondContact O-N 3.06Å; C104-N107 VanDerWaalsContact O-N 3.11Å; C104-N107 VanDerWaalsContact O-O 3.06Å; C104-V110 PolarHBondContact N-O 3.13Å
105S91.9Very high94.5Very high56 Ų5623.6 Ų23.639%0.39213%0.125SC..THydrogen-bonded Turntrans-62.9-25.2176-55.50000112.7D50 K51 N53D50-S105 WeakPolarHBondContact O-CB 3.32Å; D50-S105 PolarHBondContact O-OG 2.84Å; K51-S105 PolarHBondContact O-N 3.15Å; N53-S105 PolarHBondContact ND2-OG 3.29Å
106F84.8Confident94.4Very high67 Ų6723 Ų2329%0.29412%0.122SC..THydrogen-bonded Turntrans-88-9.3178.559.4-95.8000113.6K51 F52 C104 L257 V327K51-F106 HydrophobicContact CB-CD1 3.94Å; K51-F106 HydrophobicContact CB-CE1 4.11Å; K51-F106 HydrophobicContact CG-CD1 4.3Å; F52-F106 HydrophobicContact CD1-CE1 4.22Å; F52-F106 AromaticContact CE1-CE1 3.59Å; F52-F106 HydrophobicContact CE1-CE1 3.59Å; F52-F106 AromaticContact CE1-CZ 3.91Å; F52-F106 HydrophobicContact CE1-CZ 3.91Å; F52-F106 AromaticContact CZ-CE1 3.92Å; F52-F106 HydrophobicContact CZ-CE1 3.92Å; F52-F106 HydrophobicContact CZ-CZ 4.34Å; C104-F106 HydrophobicContact CB-CD1 4.2Å; C104-F106 HydrophobicContact CB-CD2 4.29Å; C104-F106 HydrophobicContact CB-CE1 3.74Å; C104-F106 HydrophobicContact CB-CE2 3.79Å; C104-F106 HydrophobicContact CB-CG 4.46Å; C104-F106 HydrophobicContact CB-CZ 3.51Å; C104-F106 PolarHBondContact O-N 2.88Å; F106-L257 HydrophobicContact CD2-CD1 3.76Å; F106-L257 HydrophobicContact CD2-CD2 4.36Å; F106-L257 HydrophobicContact CE2-CD1 3.57Å; F106-L257 HydrophobicContact CE2-CD2 3.37Å; F106-L257 HydrophobicContact CE2-CG 4.14Å; F106-L257 HydrophobicContact CZ-CD1 4.42Å; F106-L257 HydrophobicContact CZ-CD2 3.87Å; F106-V327 HydrophobicContact CE1-CG1 4.09Å; F106-V327 HydrophobicContact CE2-CG1 4.11Å; F106-V327 HydrophobicContact CZ-CG1 3.67Å
107N86.4Confident94.4Very high52 Ų5222.9 Ų22.928%0.27812%0.121SC..EExtended strand (participates in β ladder)trans-156.595.8176.3-174.2-15.9000109.7C104 D109 V110C104-N107 HydrophobicContact CB-CB 4.49Å; C104-N107 WeakPolarHBondContact CB-O 3.42Å; C104-N107 CarbonylContact O-C 3.42Å; C104-N107 PolarHBondContact O-N 3.06Å; C104-N107 VanDerWaalsContact O-N 3.11Å; C104-N107 VanDerWaalsContact O-O 3.06Å; N107-D109 PolarHBondContact O-N 3.06Å; N107-D109 VanDerWaalsContact O-N 3.08Å; N107-D109 PolarHBondContact OD1-N 3.2Å; N107-D109 VanDerWaalsContact OD1-N 3.15Å; N107-V110 HydrophobicContact CB-CB 4.44Å; N107-V110 HydrophobicContact CB-CG2 4.32Å; N107-V110 WeakPolarHBondContact ND2-CG2 2.97Å; N107-V110 PolarHBondContact O-N 3.03Å; N107-V110 VanDerWaalsContact O-N 3.09Å
108E90Very high94.2Very high159 Ų15923.2 Ų23.274%0.74312%0.123SC*.EExtended strand (participates in β ladder)trans-61.9-20-175.2-64.1-177.4-178.800113.4V110 K154E108-V110 VanDerWaalsContact C-N 3.29Å; E108-K154 VanDerWaalsContact O-CD 3.27Å; E108-K154 WeakPolarHBondContact O-CD 3.46Å; E108-K154 WeakPolarHBondContact O-CE 3.08Å; E108-K154 PolarHBondContact O-NZ 2.75Å
109D91.2Very high94.1Very high96 Ų9623.3 Ų23.351%0.51312%0.123SC..EExtended strand (participates in β ladder)trans-83.9-2.7-179.6-65-32.5000113.7N107 K154 H155N107-D109 PolarHBondContact O-N 3.06Å; N107-D109 VanDerWaalsContact O-N 3.08Å; N107-D109 PolarHBondContact OD1-N 3.2Å; N107-D109 VanDerWaalsContact OD1-N 3.15Å; D109-K154 IonicContact OD1-NZ 3.17Å; D109-K154 PolarHBondContact OD1-NZ 3.12Å; D109-H155 PolarHBondContact O-N 3.02Å
110V90.2Very high94Very high11 Ų1123.6 Ų23.67%0.06713%0.125CC..EExtended strand (participates in β ladder)trans-116129.8-175.9178.80000111.6C104 N107 E108 I112 H155C104-V110 PolarHBondContact N-O 3.13Å; N107-V110 HydrophobicContact CB-CB 4.44Å; N107-V110 HydrophobicContact CB-CG2 4.32Å; N107-V110 WeakPolarHBondContact ND2-CG2 2.97Å; N107-V110 PolarHBondContact O-N 3.03Å; N107-V110 VanDerWaalsContact O-N 3.09Å; E108-V110 VanDerWaalsContact C-N 3.29Å; V110-I112 HydrophobicContact CG1-CG1 3.99Å; V110-H155 WeakPolarHBondContact CA-O 3.26Å; V110-H155 HydrophobicContact CG2-CB 4.47Å
111I93.8Very high93.5Very high5 Ų527.2 Ų27.23%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-111.2134.2164.9-66.3176.3000108.3L55 V101 L102 V147 F151 K154 H155 S157L55-I111 HydrophobicContact CD1-CD1 4.15Å; L55-I111 HydrophobicContact CD1-CG1 4.4Å; L55-I111 HydrophobicContact CD1-CG2 4.5Å; V101-I111 HydrophobicContact CG1-CG2 3.59Å; L102-I111 WeakPolarHBondContact O-CA 3.48Å; I111-V147 HydrophobicContact CB-CG1 4.5Å; I111-V147 HydrophobicContact CD1-CG1 4.22Å; I111-V147 HydrophobicContact CG2-CG1 3.78Å; I111-F151 HydrophobicContact CD1-CB 3.55Å; I111-F151 HydrophobicContact CD1-CD1 3.88Å; I111-F151 HydrophobicContact CD1-CD2 3.39Å; I111-F151 HydrophobicContact CD1-CE1 4.43Å; I111-F151 HydrophobicContact CD1-CE2 4Å; I111-F151 HydrophobicContact CD1-CG 3.32Å; I111-F151 HydrophobicContact CD1-CZ 4.48Å; I111-K154 HydrophobicContact CD1-CB 3.99Å; I111-K154 HydrophobicContact CD1-CG 4.15Å; I111-K154 HydrophobicContact CG1-CB 4.2Å; I111-H155 PolarHBondContact N-O 2.97Å; I111-S157 PolarHBondContact O-N 2.81Å
112I93.3Very high92.9Very high0 Ų034.1 Ų34.10%018%0.176CC..EExtended strand (participates in β ladder)trans-111.8126.4174.9-58.2-179.5000108.9F52 L102 V110 V114 S157 L159F52-I112 HydrophobicContact CE1-CD1 4Å; L102-I112 PolarHBondContact N-O 2.92Å; L102-I112 PolarHBondContact O-N 3.21Å; V110-I112 HydrophobicContact CG1-CG1 3.99Å; I112-V114 HydrophobicContact CG2-CG2 3.85Å; I112-S157 CarbonylContact C-O 3.48Å; I112-S157 WeakPolarHBondContact CA-O 3.19Å; I112-L159 HydrophobicContact CG2-CD1 3.89Å; I112-L159 HydrophobicContact CG2-CG 4.21Å
113I96.5Very high92.1Very high0 Ų038.5 Ų38.50%021%0.207CC..EExtended strand (participates in β ladder)trans-96.7116.9168.6-59.8169.5000106.8V99 V101 L140 V143 V144 V147 V156 S157 V158 L159V99-I113 HydrophobicContact CG1-CG2 3.51Å; V101-I113 HydrophobicContact CG1-CG1 4.33Å; V101-I113 HydrophobicContact CG2-CG1 4.31Å; I113-L140 HydrophobicContact CG2-CD1 3.72Å; I113-V143 HydrophobicContact CD1-CG1 4.22Å; I113-V143 HydrophobicContact CG2-CG1 4.28Å; I113-V144 HydrophobicContact CD1-CB 4.39Å; I113-V144 HydrophobicContact CD1-CG2 3.76Å; I113-V147 HydrophobicContact CD1-CB 4.14Å; I113-V147 HydrophobicContact CD1-CG1 4.42Å; I113-V147 HydrophobicContact CD1-CG2 3.97Å; I113-V147 HydrophobicContact CG1-CG2 4.36Å; I113-V156 HydrophobicContact CD1-CG1 3.47Å; I113-V156 VanDerWaalsContact CD1-CG1 3.47Å; I113-V156 HydrophobicContact CG1-CG1 4.08Å; I113-S157 PolarHBondContact N-O 2.65Å; I113-V158 HydrophobicContact CB-CG2 4.38Å; I113-V158 HydrophobicContact CD1-CG2 4.44Å; I113-V158 CarbonylContact O-C 3.44Å; I113-V158 WeakPolarHBondContact O-CA 3.06Å; I113-L159 PolarHBondContact O-N 2.84Å
114V96.1Very high91.7Very high0 Ų040.1 Ų40.10%022%0.216CC..EExtended strand (participates in β ladder)trans-104.3110.6176.2-172.80000108L4 I45 V99 S100 L102 I112 L159L4-V114 HydrophobicContact CD1-CG2 3.97Å; L4-V114 HydrophobicContact CD2-CG2 4.38Å; I45-V114 HydrophobicContact CD1-CB 4.4Å; I45-V114 HydrophobicContact CD1-CG1 4.09Å; I45-V114 WeakPolarHBondContact CD1-O 3.27Å; I45-V114 HydrophobicContact CG1-CG1 4.45Å; I45-V114 HydrophobicContact CG2-CG1 4.18Å; V99-V114 CarbonylContact C-O 3.53Å; V99-V114 WeakPolarHBondContact CA-O 3.21Å; S100-V114 PolarHBondContact N-O 2.71Å; S100-V114 PolarHBondContact O-N 2.8Å; L102-V114 HydrophobicContact CD1-CG2 3.98Å; I112-V114 HydrophobicContact CG2-CG2 3.85Å; V114-L159 HydrophobicContact CG2-CD1 4.45Å
115A97.9Very high91.9Very high0 Ų040.4 Ų40.40%022%0.218CC..EExtended strand (participates in β ladder)trans-98.8141.7173.200000109.7L97 Q98 V99 L140 L159 F160 C161L97-A115 HydrophobicContact CD1-CB 4.09Å; Q98-A115 CarbonylContact O-C 3.36Å; Q98-A115 VanDerWaalsContact O-CA 3.28Å; Q98-A115 WeakPolarHBondContact O-CA 3.27Å; V99-A115 HydrophobicContact CG2-CB 4.47Å; A115-L140 HydrophobicContact CB-CD1 4.08Å; A115-L140 HydrophobicContact CB-CD2 4Å; A115-L159 PolarHBondContact N-O 2.79Å; A115-F160 HydrophobicContact CB-CD2 3.61Å; A115-F160 HydrophobicContact CB-CE2 4.2Å; A115-F160 HydrophobicContact CB-CG 4.37Å; A115-C161 PolarHBondContact O-N 2.79Å
116N96.4Very high92.1Very high0 Ų038.6 Ų38.60%021%0.205CC..EExtended strand (participates in β ladder)trans-138.6139.4175.9-16925.3000110.5C6 L7 Q8 L43 I45 Q98 C161C6-N116 HydrophobicContact CB-CB 4.28Å; L7-N116 PolarHBondContact O-ND2 3.22Å; L7-N116 VanDerWaalsContact O-ND2 3.12Å; Q8-N116 PolarHBondContact NE2-ND2 2.94Å; Q8-N116 PolarHBondContact NE2-OD1 2.93Å; Q8-N116 VanDerWaalsContact NE2-OD1 3.09Å; L43-N116 VanDerWaalsContact CD1-O 3.22Å; L43-N116 WeakPolarHBondContact CD1-O 3.3Å; I45-N116 HydrophobicContact CD1-CB 3.99Å; I45-N116 HydrophobicContact CG1-CB 3.97Å; Q98-N116 HydrophobicContact CB-CB 4.39Å; Q98-N116 PolarHBondContact N-O 2.78Å; Q98-N116 PolarHBondContact O-N 3.46Å; N116-C161 CarbonylContact C-O 3.54Å; N116-C161 VanDerWaalsContact CA-O 3.29Å; N116-C161 WeakPolarHBondContact CA-O 3.44Å; N116-C161 PolarHBondContact OD1-O 2.81Å
117T97.6Very high92.7Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-146.4163.8176.9-162.40000112.3Q8 V96 L119 F160 C161 G162 D163 L164Q8-T117 WeakPolarHBondContact CG-O 3.44Å; V96-T117 PolarHBondContact O-OG1 2.84Å; T117-L119 HydrophobicContact CG2-CD2 3.88Å; T117-L119 HydrophobicContact CG2-CG 4.21Å; T117-F160 HydrophobicContact CG2-CE1 4.04Å; T117-F160 HydrophobicContact CG2-CZ 3.8Å; T117-C161 PolarHBondContact N-O 2.84Å; T117-C161 VanDerWaalsContact N-O 3.1Å; T117-G162 WeakPolarHBondContact O-CA 3.02Å; T117-D163 PolarHBondContact O-N 2.87Å; T117-L164 HydrophobicContact CG2-CD2 4.25Å
118H94.6Very high93.3Very high8 Ų833 Ų334%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-134.8106.7167.8-178.7164.4000106.3Q8 E9 L43 Q95 D163 N165Q8-H118 HydrophobicContact CB-CB 3.93Å; Q8-H118 HydrophobicContact CG-CB 3.76Å; E9-H118 WeakPolarHBondContact CG-CE1 3.23Å; E9-H118 VanDerWaalsContact CG-ND1 3.32Å; E9-H118 WeakPolarHBondContact CG-ND1 3.48Å; E9-H118 IonicContact OE1-CE1 2.73Å; E9-H118 PolarHBondContact OE1-CE1 2.87Å; E9-H118 IonicContact OE1-ND1 3.22Å; L43-H118 HydrophobicContact CD2-CB 3.91Å; Q95-H118 WeakPolarHBondContact CG-O 3.43Å; H118-D163 CarbonylContact C-O 3.6Å; H118-D163 WeakPolarHBondContact CA-O 3.29Å; H118-D163 IonicContact CD2-OD2 2.69Å; H118-D163 IonicContact CE1-OD2 3.28Å; H118-D163 IonicContact NE2-OD2 3.17Å; H118-D163 PolarHBondContact NE2-OD2 2.79Å; H118-N165 PolarHBondContact CD2-ND2 3.1Å; H118-N165 PolarHBondContact NE2-ND2 3.35Å
119L97.1Very high93.6Very high1 Ų125.5 Ų25.51%0.00514%0.143CC..  trans-76.7166.6-175.8-58.7-170.5000113T117 S121 R129 Q132 A133 D163 L164 N165 V172T117-L119 HydrophobicContact CG2-CD2 3.88Å; T117-L119 HydrophobicContact CG2-CG 4.21Å; L119-S121 PolarHBondContact O-N 2.93Å; L119-R129 HydrophobicContact CB-CG 4.17Å; L119-R129 HydrophobicContact CD1-CB 4.34Å; L119-Q132 HydrophobicContact CD2-CB 3.85Å; L119-A133 HydrophobicContact CD1-CB 4.24Å; L119-D163 PolarHBondContact N-O 3.38Å; L119-L164 HydrophobicContact CD1-CB 4.22Å; L119-L164 HydrophobicContact CD1-CD2 3.86Å; L119-L164 HydrophobicContact CG-CD2 4.18Å; L119-N165 PolarHBondContact O-ND2 3.09Å; L119-N165 VanDerWaalsContact O-ND2 3.08Å; L119-V172 HydrophobicContact CD1-CG1 3.99Å
120H96Very high94Very high7 Ų721 Ų213%0.03212%0.119CC..  trans-59.3123.6-178.517565.8000113.3R93 R122 D125 I128 R129R93-H120 WeakPolarHBondContact CD-ND1 3.28Å; H120-R122 WeakPolarHBondContact NE2-CB 3.35Å; H120-R122 PolarHBondContact O-N 2.8Å; H120-D125 VanDerWaalsContact CD2-CB 3.44Å; H120-D125 WeakPolarHBondContact CD2-CB 3.37Å; H120-D125 IonicContact CD2-OD2 2.85Å; H120-D125 IonicContact CE1-OD2 3.75Å; H120-D125 WeakPolarHBondContact NE2-CB 3.35Å; H120-D125 IonicContact NE2-OD2 3.7Å; H120-D125 PolarHBondContact NE2-OD2 2.84Å; H120-I128 HydrophobicContact CB-CG2 4.15Å; H120-R129 HydrophobicContact CB-CG 4.31Å; H120-R129 WeakPolarHBondContact O-CD 3.24Å; H120-R129 VanDerWaalsContact O-CG 3.22Å; H120-R129 WeakPolarHBondContact O-CG 2.98Å; H120-R129 PolarHBondContact O-NH1 3.05Å
121S89.2Confident94.3Very high75 Ų7520.5 Ų20.552%0.52412%0.116SC..  trans-80.5-17-165.859.70000116.6L119 S123 N165L119-S121 PolarHBondContact O-N 2.93Å; S121-S123 PolarHBondContact O-N 2.84Å; S121-N165 VanDerWaalsContact CA-CG 3.5Å
122R85.4Confident94.6Very high145 Ų14520.3 Ų20.355%0.54712%0.115SC..  trans-69.6114.4-177.4-61.1-177.575.8-1644.7110.4H120 P124 D125 R129H120-R122 WeakPolarHBondContact NE2-CB 3.35Å; H120-R122 PolarHBondContact O-N 2.8Å; R122-P124 VanDerWaalsContact C-CD 3.44Å; R122-D125 WeakPolarHBondContact CB-OD2 3.3Å; R122-D125 PolarHBondContact O-N 2.87Å; R122-R129 PolarHBondContact O-NH1 2.65Å
123S79.1Confident94.8Very high92 Ų9220.4 Ų20.464%0.64312%0.116SC*.THydrogen-bonded Turntrans-42.7-48.7179.7-178.60000115.7S121 D125 R129S121-S123 PolarHBondContact O-N 2.84Å; S123-D125 PolarHBondContact O-N 2.92Å; S123-D125 VanDerWaalsContact O-N 3.1Å; S123-R129 PolarHBondContact O-NH2 3.25Å
124P88.2Confident94.9Very high66 Ų6620.5 Ų20.543%0.42912%0.117SC..THydrogen-bonded Turntrans-64.9-18.9-177.824.5-34.4000114.1R122 S126 R189R122-P124 VanDerWaalsContact C-CD 3.44Å; P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 3.03Å; P124-R189 WeakPolarHBondContact O-CD 3.24Å; P124-R189 VanDerWaalsContact O-CZ 3.28Å; P124-R189 PolarHBondContact O-NE 3.49Å; P124-R189 PolarHBondContact O-NH1 3.12Å
125D94.7Very high95Very high9 Ų920.5 Ų20.55%0.04812%0.117CC..  trans-91.245.5-168.7-60.2-24.5000112.5L89 H120 R122 S123 H127 I128 R129 R189L89-D125 HydrophobicContact CD2-CB 4.4Å; H120-D125 VanDerWaalsContact CD2-CB 3.44Å; H120-D125 WeakPolarHBondContact CD2-CB 3.37Å; H120-D125 IonicContact CD2-OD2 2.85Å; H120-D125 IonicContact CE1-OD2 3.75Å; H120-D125 WeakPolarHBondContact NE2-CB 3.35Å; H120-D125 IonicContact NE2-OD2 3.7Å; H120-D125 PolarHBondContact NE2-OD2 2.84Å; R122-D125 WeakPolarHBondContact CB-OD2 3.3Å; R122-D125 PolarHBondContact O-N 2.87Å; S123-D125 PolarHBondContact O-N 2.92Å; S123-D125 VanDerWaalsContact O-N 3.1Å; D125-H127 VanDerWaalsContact C-N 3.28Å; D125-H127 PolarHBondContact O-N 3.01Å; D125-I128 HydrophobicContact CB-CB 4.22Å; D125-I128 HydrophobicContact CB-CG1 4.02Å; D125-I128 WeakPolarHBondContact O-CB 3.46Å; D125-I128 PolarHBondContact O-N 3.06Å; D125-R129 PolarHBondContact O-N 2.61Å; D125-R189 IonicContact OD1-NH1 3.23Å
126S96.3Very high95Very high18 Ų1820.5 Ų20.513%0.12612%0.117CC..Hα-helixtrans-56.4-39-178.859.10000113.5P124 I128 R129 L130 G187P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 3.03Å; S126-I128 VanDerWaalsContact C-N 3.3Å; S126-I128 PolarHBondContact O-N 3.04Å; S126-R129 PolarHBondContact O-N 3.03Å; S126-L130 WeakPolarHBondContact O-CB 3.49Å; S126-L130 PolarHBondContact O-N 3.24Å; S126-G187 CarbonylContact C-O 3.59Å; S126-G187 PolarHBondContact OG-O 3.23Å
127H97Very high95Very high0 Ų020.8 Ų20.80%012%0.118CC..Hα-helixtrans-62.2-35.6176.962.4-67.7000112D125 L130 L131 G187 W188 F193 F196D125-H127 VanDerWaalsContact C-N 3.28Å; D125-H127 PolarHBondContact O-N 3.01Å; H127-L130 PolarHBondContact O-N 3.04Å; H127-L131 WeakPolarHBondContact O-CG 3.48Å; H127-L131 PolarHBondContact O-N 2.86Å; H127-G187 VanDerWaalsContact CA-O 3.28Å; H127-G187 WeakPolarHBondContact CA-O 3.29Å; H127-G187 PolarHBondContact N-O 2.84Å; H127-W188 HydrophobicContact CB-CE3 4.08Å; H127-F193 AromaticContact CE1-CE2 3.49Å; H127-F193 VanDerWaalsContact CE1-CE2 3.49Å; H127-F193 WeakPolarHBondContact CE1-CE2 3.3Å; H127-F193 AromaticContact CE1-CZ 3.54Å; H127-F193 AromaticContact ND1-CE2 3.94Å; H127-F193 AromaticContact NE2-CE2 3.61Å; H127-F193 AromaticContact NE2-CZ 3.66Å; H127-F196 HydrophobicContact CB-CE1 4.12Å; H127-F196 HydrophobicContact CB-CZ 4.41Å
128I98Very high95Very high0 Ų023.8 Ų23.80%013%0.131CC..Hα-helixtrans-68.5-47.1175-57.9-59.8000110.6V86 L89 F90 R93 H120 D125 S126 L130 L131 Q132V86-I128 HydrophobicContact CG1-CD1 4.05Å; L89-I128 HydrophobicContact CB-CD1 4.12Å; L89-I128 HydrophobicContact CD2-CD1 3.9Å; L89-I128 HydrophobicContact CD2-CG1 3.58Å; L89-I128 HydrophobicContact CG-CD1 3.91Å; L89-I128 HydrophobicContact CG-CG1 3.85Å; F90-I128 HydrophobicContact CB-CD1 4.13Å; F90-I128 HydrophobicContact CD2-CG2 4.32Å; R93-I128 HydrophobicContact CG-CG2 4.46Å; H120-I128 HydrophobicContact CB-CG2 4.15Å; D125-I128 HydrophobicContact CB-CB 4.22Å; D125-I128 HydrophobicContact CB-CG1 4.02Å; D125-I128 WeakPolarHBondContact O-CB 3.46Å; D125-I128 PolarHBondContact O-N 3.06Å; S126-I128 VanDerWaalsContact C-N 3.3Å; S126-I128 PolarHBondContact O-N 3.04Å; I128-L130 PolarHBondContact O-N 2.87Å; I128-L131 PolarHBondContact O-N 2.83Å; I128-Q132 HydrophobicContact CG2-CG 4.41Å; I128-Q132 WeakPolarHBondContact O-CB 3.34Å; I128-Q132 VanDerWaalsContact O-CG 3.3Å; I128-Q132 WeakPolarHBondContact O-CG 3.32Å; I128-Q132 PolarHBondContact O-N 2.91Å
129R98.2Very high95.1Very high2 Ų224.3 Ų24.31%0.00813%0.133CC..Hα-helixtrans-59.9-37.9175.9-69.8-171-69.2-75.76.7111.8L119 H120 R122 S123 D125 S126 Q132 A133 L164 N165 S166 M170 V172L119-R129 HydrophobicContact CB-CG 4.17Å; L119-R129 HydrophobicContact CD1-CB 4.34Å; H120-R129 HydrophobicContact CB-CG 4.31Å; H120-R129 WeakPolarHBondContact O-CD 3.24Å; H120-R129 VanDerWaalsContact O-CG 3.22Å; H120-R129 WeakPolarHBondContact O-CG 2.98Å; H120-R129 PolarHBondContact O-NH1 3.05Å; R122-R129 PolarHBondContact O-NH1 2.65Å; S123-R129 PolarHBondContact O-NH2 3.25Å; D125-R129 PolarHBondContact O-N 2.61Å; S126-R129 PolarHBondContact O-N 3.03Å; R129-Q132 PolarHBondContact O-N 3.08Å; R129-A133 WeakPolarHBondContact O-CB 3.39Å; R129-A133 PolarHBondContact O-N 3.34Å; R129-L164 VanDerWaalsContact CD-O 3.32Å; R129-L164 WeakPolarHBondContact CD-O 3.22Å; R129-N165 WeakPolarHBondContact CD-O 3.4Å; R129-N165 PolarHBondContact NE-O 3.36Å; R129-S166 WeakPolarHBondContact CD-OG 3.07Å; R129-S166 PolarHBondContact NE-OG 3.25Å; R129-M170 VanDerWaalsContact NH2-CE 3.32Å; R129-V172 HydrophobicContact CB-CG2 4Å
130L97.8Very high95.2Very high1 Ų124.2 Ų24.21%0.00513%0.133CC..Hα-helixtrans-67.5-41.8177.5-172.357.2000112.4S126 H127 I128 A133 A134 V172 L175 V181 W188 I201S126-L130 WeakPolarHBondContact O-CB 3.49Å; S126-L130 PolarHBondContact O-N 3.24Å; H127-L130 PolarHBondContact O-N 3.04Å; I128-L130 PolarHBondContact O-N 2.87Å; L130-A133 PolarHBondContact O-N 3.12Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 2.8Å; L130-V172 HydrophobicContact CD1-CG2 4.47Å; L130-L175 HydrophobicContact CD1-CB 4.33Å; L130-L175 HydrophobicContact CD1-CD2 3.98Å; L130-V181 HydrophobicContact CD1-CG2 4.16Å; L130-V181 HydrophobicContact CD2-CG1 3.87Å; L130-W188 HydrophobicContact CB-CH2 4.05Å; L130-W188 HydrophobicContact CB-CZ3 4.02Å; L130-W188 HydrophobicContact CD2-CD2 3.65Å; L130-W188 HydrophobicContact CD2-CE3 3.85Å; L130-W188 HydrophobicContact CD2-CG 4.42Å; L130-W188 HydrophobicContact CD2-CH2 3.5Å; L130-W188 HydrophobicContact CD2-CZ2 3.31Å; L130-W188 HydrophobicContact CD2-CZ3 3.75Å; L130-W188 HydrophobicContact CG-CE3 4.49Å; L130-W188 HydrophobicContact CG-CH2 3.49Å; L130-W188 VanDerWaalsContact CG-CH2 3.49Å; L130-W188 HydrophobicContact CG-CZ2 3.71Å; L130-W188 HydrophobicContact CG-CZ3 3.91Å; L130-I201 HydrophobicContact CG-CD1 4.36Å
131L98Very high95.2Very high1 Ų125.9 Ų25.91%0.00514%0.141CC..Hα-helixtrans-62.6-41.1171.4-70.9162.8000112L76 L80 V86 F90 H127 I128 A134 A135 W188 F196 L199L76-L131 HydrophobicContact CD2-CD2 3.73Å; L80-L131 HydrophobicContact CD2-CD1 3.67Å; V86-L131 HydrophobicContact CG1-CD1 4.28Å; F90-L131 HydrophobicContact CD2-CB 3.86Å; F90-L131 HydrophobicContact CD2-CD1 4.37Å; F90-L131 HydrophobicContact CE2-CB 3.68Å; H127-L131 WeakPolarHBondContact O-CG 3.48Å; H127-L131 PolarHBondContact O-N 2.86Å; I128-L131 PolarHBondContact O-N 2.83Å; L131-A134 WeakPolarHBondContact O-CB 3.31Å; L131-A134 PolarHBondContact O-N 3.1Å; L131-A135 PolarHBondContact O-N 3.48Å; L131-W188 HydrophobicContact CD2-CH2 4.08Å; L131-W188 HydrophobicContact CD2-CZ3 4.03Å; L131-W188 HydrophobicContact CG-CH2 4.25Å; L131-W188 HydrophobicContact CG-CZ3 3.85Å; L131-F196 HydrophobicContact CD1-CE2 4.48Å; L131-F196 HydrophobicContact CD1-CZ 4.36Å; L131-L199 HydrophobicContact CD2-CD1 3.97Å
132Q98.4Very high95.5Very high2 Ų225.6 Ų25.61%0.00914%0.139CC..Hα-helixtrans-64.1-46.9177.2-72.7177.8-1900111.2L62 F90 L119 I128 R129 A134 A135 C136L62-Q132 HydrophobicContact CD1-CB 3.71Å; L62-Q132 HydrophobicContact CD1-CG 3.89Å; F90-Q132 HydrophobicContact CD2-CG 4.2Å; F90-Q132 HydrophobicContact CE2-CB 4.48Å; F90-Q132 HydrophobicContact CE2-CG 3.64Å; F90-Q132 HydrophobicContact CZ-CG 4.45Å; L119-Q132 HydrophobicContact CD2-CB 3.85Å; I128-Q132 HydrophobicContact CG2-CG 4.41Å; I128-Q132 WeakPolarHBondContact O-CB 3.34Å; I128-Q132 VanDerWaalsContact O-CG 3.3Å; I128-Q132 WeakPolarHBondContact O-CG 3.32Å; I128-Q132 PolarHBondContact O-N 2.91Å; R129-Q132 PolarHBondContact O-N 3.08Å; Q132-A134 VanDerWaalsContact C-N 3.3Å; Q132-A134 PolarHBondContact O-N 3.38Å; Q132-A135 PolarHBondContact O-N 2.8Å; Q132-C136 PolarHBondContact O-N 3.38Å; Q132-C136 PolarHBondContact O-SG 2.84Å
133A98.4Very high96.1Very high2 Ų218.8 Ų18.82%0.01711%0.114CC..Hα-helixtrans-60.9-39.3175.900000112.1L119 R129 L130 C136 I137 V172 L175L119-A133 HydrophobicContact CD1-CB 4.24Å; R129-A133 WeakPolarHBondContact O-CB 3.39Å; R129-A133 PolarHBondContact O-N 3.34Å; L130-A133 PolarHBondContact O-N 3.12Å; A133-C136 WeakPolarHBondContact O-CB 3.29Å; A133-C136 PolarHBondContact O-N 3.43Å; A133-I137 WeakPolarHBondContact O-CG1 3.45Å; A133-I137 PolarHBondContact O-N 3.42Å; A133-V172 HydrophobicContact CB-CG1 3.7Å; A133-V172 HydrophobicContact CB-CG2 4.36Å; A133-L175 HydrophobicContact CB-CD2 4.18Å
134A97.9Very high96.9Very high2 Ų214.8 Ų14.82%0.0179%0.085CC..Hα-helixtrans-61.6-45.9174.300000112.1L76 L130 L131 Q132 I137 K138 L175 I201L76-A134 HydrophobicContact CD2-CB 3.94Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 2.8Å; L131-A134 WeakPolarHBondContact O-CB 3.31Å; L131-A134 PolarHBondContact O-N 3.1Å; Q132-A134 VanDerWaalsContact C-N 3.3Å; Q132-A134 PolarHBondContact O-N 3.38Å; A134-I137 PolarHBondContact O-N 3Å; A134-K138 WeakPolarHBondContact O-CB 3.37Å; A134-K138 PolarHBondContact O-N 2.93Å; A134-L175 HydrophobicContact CB-CD2 4.49Å; A134-I201 HydrophobicContact CB-CD1 3.65Å; A134-I201 HydrophobicContact CB-CG2 4.43Å
135A98Very high97.3Very high0 Ų014.5 Ų14.50%09%0.089CC..Hα-helixtrans-61.8-43.7175.500000111.4L62 V66 L76 L131 Q132 I137 K138 H139L62-A135 HydrophobicContact CD2-CB 4.26Å; V66-A135 HydrophobicContact CG2-CB 4.05Å; L76-A135 HydrophobicContact CD1-CB 3.98Å; L131-A135 PolarHBondContact O-N 3.48Å; Q132-A135 PolarHBondContact O-N 2.8Å; A135-I137 PolarHBondContact O-N 3.18Å; A135-K138 PolarHBondContact O-N 3.38Å; A135-H139 WeakPolarHBondContact O-CB 3.21Å; A135-H139 PolarHBondContact O-N 3.4Å
136C98.5Very high97.4Very high0 Ų016.1 Ų16.10%010%0.101CC..Hα-helixtrans-57.5-50.9176.3-71.50000111.6L97 Q132 A133 H139 L140 F160L97-C136 HydrophobicContact CD1-CB 4.26Å; L97-C136 HydrophobicContact CD2-CB 4.06Å; L97-C136 WeakPolarHBondContact CD2-O 3.4Å; Q132-C136 PolarHBondContact O-N 3.38Å; Q132-C136 PolarHBondContact O-SG 2.84Å; A133-C136 WeakPolarHBondContact O-CB 3.29Å; A133-C136 PolarHBondContact O-N 3.43Å; C136-H139 PolarHBondContact O-N 3.01Å; C136-L140 WeakPolarHBondContact O-CB 3.45Å; C136-L140 PolarHBondContact O-N 3.19Å; C136-F160 HydrophobicContact CB-CE2 4.02Å; C136-F160 HydrophobicContact CB-CZ 4.02Å
137I97.3Very high97.5Very high5 Ų515.3 Ų15.33%0.02610%0.095CC..Hα-helixtrans-66.9-40.8-178.1-69.5-68.4000111.6A133 A134 A135 H139 L140 E141 L176 T203 M207A133-I137 WeakPolarHBondContact O-CG1 3.45Å; A133-I137 PolarHBondContact O-N 3.42Å; A134-I137 PolarHBondContact O-N 3Å; A135-I137 PolarHBondContact O-N 3.18Å; I137-H139 VanDerWaalsContact C-N 3.32Å; I137-H139 PolarHBondContact O-N 3.39Å; I137-L140 PolarHBondContact O-N 2.76Å; I137-E141 WeakPolarHBondContact O-CG 3.5Å; I137-E141 PolarHBondContact O-N 3.05Å; I137-L176 HydrophobicContact CD1-CD2 3.38Å; I137-L176 HydrophobicContact CG1-CD2 3.6Å; I137-T203 HydrophobicContact CG2-CG2 3.86Å; I137-T203 WeakPolarHBondContact CG2-OG1 3.38Å; I137-M207 HydrophobicContact CD1-CE 3.44Å; I137-M207 VanDerWaalsContact CD1-CE 3.44Å; I137-M207 HydrophobicContact CD1-SD 4.46Å
138K96.9Very high97.5Very high63 Ų6320 Ų2027%0.27411%0.112SC..Hα-helixtrans-62.2-41.5177.4-177.958.8-175.8174.40112.1G72 F73 A134 A135 E141 S142G72-K138 WeakPolarHBondContact O-CE 3.3Å; F73-K138 HydrophobicContact CD1-CG 4.18Å; F73-K138 HydrophobicContact CD2-CG 4.46Å; F73-K138 HydrophobicContact CE1-CB 3.86Å; F73-K138 HydrophobicContact CE1-CG 3.77Å; F73-K138 HydrophobicContact CE2-CG 4.09Å; F73-K138 HydrophobicContact CZ-CB 4.07Å; F73-K138 HydrophobicContact CZ-CG 3.72Å; A134-K138 WeakPolarHBondContact O-CB 3.37Å; A134-K138 PolarHBondContact O-N 2.93Å; A135-K138 PolarHBondContact O-N 3.38Å; K138-E141 IonicContact NZ-OE2 3.25Å; K138-S142 PolarHBondContact O-N 2.92Å
139H97.7Very high97.5Very high19 Ų1924.8 Ų24.89%0.08815%0.146CC..Hα-helixtrans-63.1-45.1173.8-171.259.2000111.4E58 V60 L65 F73 L97 A135 C136 I137 E141 S142 V143E58-H139 PolarHBondContact O-NE2 3.1Å; V60-H139 VanDerWaalsContact CG1-CE1 3.45Å; V60-H139 WeakPolarHBondContact CG1-CE1 3.38Å; V60-H139 WeakPolarHBondContact CG1-NE2 3.28Å; L65-H139 HydrophobicContact CD2-CB 3.9Å; F73-H139 HydrophobicContact CZ-CB 4.03Å; L97-H139 HydrophobicContact CD2-CB 4.15Å; A135-H139 WeakPolarHBondContact O-CB 3.21Å; A135-H139 PolarHBondContact O-N 3.4Å; C136-H139 PolarHBondContact O-N 3.01Å; I137-H139 VanDerWaalsContact C-N 3.32Å; I137-H139 PolarHBondContact O-N 3.39Å; H139-E141 VanDerWaalsContact C-N 3.32Å; H139-E141 PolarHBondContact O-N 3.48Å; H139-S142 WeakPolarHBondContact O-CA 3.45Å; H139-S142 VanDerWaalsContact O-CB 3.25Å; H139-S142 WeakPolarHBondContact O-CB 3.5Å; H139-S142 PolarHBondContact O-N 3.47Å; H139-V143 WeakPolarHBondContact O-CG2 3.14Å; H139-V143 PolarHBondContact O-N 3.4Å
140L97.4Very high97.5Very high0 Ų028 Ų280%017%0.168CC..Hα-helixtrans-64-36.3-179-167.456.5000112.6V99 I113 A115 C136 I137 S142 V143 V144 V158 F160 L205 M207V99-L140 HydrophobicContact CG1-CD1 4.34Å; I113-L140 HydrophobicContact CG2-CD1 3.72Å; A115-L140 HydrophobicContact CB-CD1 4.08Å; A115-L140 HydrophobicContact CB-CD2 4Å; C136-L140 WeakPolarHBondContact O-CB 3.45Å; C136-L140 PolarHBondContact O-N 3.19Å; I137-L140 PolarHBondContact O-N 2.76Å; L140-S142 VanDerWaalsContact C-N 3.3Å; L140-S142 PolarHBondContact O-N 3.24Å; L140-V143 PolarHBondContact O-N 3.32Å; L140-V144 WeakPolarHBondContact O-CB 3.27Å; L140-V144 VanDerWaalsContact O-CG2 3.23Å; L140-V144 WeakPolarHBondContact O-CG2 3.21Å; L140-V144 PolarHBondContact O-N 2.88Å; L140-V158 HydrophobicContact CD1-CG1 4.29Å; L140-V158 HydrophobicContact CD2-CG1 3.64Å; L140-V158 HydrophobicContact CG-CG1 4.14Å; L140-F160 HydrophobicContact CD2-CD2 3.64Å; L140-F160 HydrophobicContact CD2-CE2 4.3Å; L140-L205 HydrophobicContact CB-CD2 4.08Å; L140-L205 HydrophobicContact CD2-CD2 3.76Å; L140-L205 HydrophobicContact CG-CD2 3.72Å; L140-M207 HydrophobicContact CD2-CE 3.85Å
141E96.3Very high97.5Very high41 Ų4131.5 Ų31.519%0.19218%0.184CC..Hα-helixtrans-58.5-41.7170.3-74.5-178.715100111.7I137 K138 H139 V144 A145 T203 S204 L205I137-E141 WeakPolarHBondContact O-CG 3.5Å; I137-E141 PolarHBondContact O-N 3.05Å; K138-E141 IonicContact NZ-OE2 3.25Å; H139-E141 VanDerWaalsContact C-N 3.32Å; H139-E141 PolarHBondContact O-N 3.48Å; E141-V144 PolarHBondContact O-N 3.24Å; E141-A145 WeakPolarHBondContact O-CB 3.36Å; E141-A145 PolarHBondContact O-N 3.42Å; E141-T203 PolarHBondContact OE1-OG1 2.81Å; E141-S204 PolarHBondContact OE1-N 3.26Å; E141-S204 VanDerWaalsContact OE1-N 3.09Å; E141-S204 PolarHBondContact OE1-OG 2.81Å; E141-L205 HydrophobicContact CG-CB 4.02Å; E141-L205 HydrophobicContact CG-CD2 4.45Å
142S96.2Very high97.4Very high70 Ų7036.1 Ų36.149%0.4921%0.214SC..Hα-helixtrans-64.4-43.7175.4-173.10000111.8K138 H139 L140 A145 S146K138-S142 PolarHBondContact O-N 2.92Å; H139-S142 WeakPolarHBondContact O-CA 3.45Å; H139-S142 VanDerWaalsContact O-CB 3.25Å; H139-S142 WeakPolarHBondContact O-CB 3.5Å; H139-S142 PolarHBondContact O-N 3.47Å; L140-S142 VanDerWaalsContact C-N 3.3Å; L140-S142 PolarHBondContact O-N 3.24Å; S142-A145 PolarHBondContact O-N 2.96Å; S142-S146 WeakPolarHBondContact O-CB 3.45Å; S142-S146 PolarHBondContact O-N 2.61Å
143V97.5Very high97.2Very high2 Ų243 Ų431%0.01225%0.25CS..Hα-helixtrans-62.7-45.2176.1178.60000111E58 V99 V101 I113 H139 L140 A145 S146 V147E58-V143 HydrophobicContact CB-CG1 4.35Å; E58-V143 HydrophobicContact CB-CG2 3.63Å; E58-V143 HydrophobicContact CG-CG1 4.04Å; E58-V143 HydrophobicContact CG-CG2 3.96Å; V99-V143 HydrophobicContact CG1-CG1 4.05Å; V101-V143 HydrophobicContact CG2-CG1 4.28Å; I113-V143 HydrophobicContact CD1-CG1 4.22Å; I113-V143 HydrophobicContact CG2-CG1 4.28Å; H139-V143 WeakPolarHBondContact O-CG2 3.14Å; H139-V143 PolarHBondContact O-N 3.4Å; L140-V143 PolarHBondContact O-N 3.32Å; V143-A145 VanDerWaalsContact C-N 3.33Å; V143-A145 PolarHBondContact O-N 3.09Å; V143-S146 WeakPolarHBondContact O-CB 3.42Å; V143-S146 PolarHBondContact O-N 3.39Å; V143-V147 HydrophobicContact CG1-CG2 4.2Å; V143-V147 VanDerWaalsContact O-CG2 3.3Å; V143-V147 WeakPolarHBondContact O-CG2 3.31Å; V143-V147 PolarHBondContact O-N 3.21Å
144V96.4Very high97Very high8 Ų845.9 Ų45.95%0.04826%0.263CS..Hα-helixtrans-57.7-46.7176.1169.40000110.7I113 L140 E141 V147 R148 V158I113-V144 HydrophobicContact CD1-CB 4.39Å; I113-V144 HydrophobicContact CD1-CG2 3.76Å; L140-V144 WeakPolarHBondContact O-CB 3.27Å; L140-V144 VanDerWaalsContact O-CG2 3.23Å; L140-V144 WeakPolarHBondContact O-CG2 3.21Å; L140-V144 PolarHBondContact O-N 2.88Å; E141-V144 PolarHBondContact O-N 3.24Å; V144-V147 PolarHBondContact O-N 3.27Å; V144-R148 HydrophobicContact CG1-CG 4.46Å; V144-R148 WeakPolarHBondContact O-CB 3.39Å; V144-R148 VanDerWaalsContact O-CG 3.29Å; V144-R148 WeakPolarHBondContact O-CG 3.28Å; V144-R148 PolarHBondContact O-N 3.35Å; V144-V158 HydrophobicContact CG2-CG2 3.52Å
145A96.4Very high96.7Very high60 Ų6048.3 Ų48.350%0.49627%0.274SS..Hα-helixtrans-62.8-43.1177.500000112.2E141 S142 V143 R148 S149E141-A145 WeakPolarHBondContact O-CB 3.36Å; E141-A145 PolarHBondContact O-N 3.42Å; S142-A145 PolarHBondContact O-N 2.96Å; V143-A145 VanDerWaalsContact C-N 3.33Å; V143-A145 PolarHBondContact O-N 3.09Å; A145-R148 PolarHBondContact O-N 3.09Å; A145-S149 WeakPolarHBondContact O-CB 3.41Å; A145-S149 PolarHBondContact O-N 3.23Å
146S97.6Very high96.4Very high43 Ų4348.5 Ų48.530%0.30128%0.275SS..Hα-helixtrans-60.6-45.2176.4174.10000112.2K56 S142 V143 S149 S150K56-S146 PolarHBondContact NZ-OG 3.21Å; K56-S146 VanDerWaalsContact NZ-OG 3.09Å; S142-S146 WeakPolarHBondContact O-CB 3.45Å; S142-S146 PolarHBondContact O-N 2.61Å; V143-S146 WeakPolarHBondContact O-CB 3.42Å; V143-S146 PolarHBondContact O-N 3.39Å; S146-S149 PolarHBondContact O-N 2.88Å; S146-S150 WeakPolarHBondContact O-CB 3.37Å; S146-S150 PolarHBondContact O-N 3.45Å; S146-S150 PolarHBondContact O-OG 3.1Å
147V97.9Very high96.1Very high0 Ų048.5 Ų48.50%028%0.275CS..Hα-helixtrans-67.4-44.6178.5174.50000110.9V101 I111 I113 V143 V144 S149 S150 F151 V156V101-V147 HydrophobicContact CG1-CG1 4.2Å; V101-V147 HydrophobicContact CG1-CG2 3.83Å; V101-V147 HydrophobicContact CG2-CG2 3.93Å; I111-V147 HydrophobicContact CB-CG1 4.5Å; I111-V147 HydrophobicContact CD1-CG1 4.22Å; I111-V147 HydrophobicContact CG2-CG1 3.78Å; I113-V147 HydrophobicContact CD1-CB 4.14Å; I113-V147 HydrophobicContact CD1-CG1 4.42Å; I113-V147 HydrophobicContact CD1-CG2 3.97Å; I113-V147 HydrophobicContact CG1-CG2 4.36Å; V143-V147 HydrophobicContact CG1-CG2 4.2Å; V143-V147 VanDerWaalsContact O-CG2 3.3Å; V143-V147 WeakPolarHBondContact O-CG2 3.31Å; V143-V147 PolarHBondContact O-N 3.21Å; V144-V147 PolarHBondContact O-N 3.27Å; V147-S149 VanDerWaalsContact C-N 3.29Å; V147-S149 PolarHBondContact O-N 3.46Å; V147-S150 PolarHBondContact O-N 3.35Å; V147-S150 VanDerWaalsContact O-N 3.14Å; V147-F151 HydrophobicContact CG1-CD2 4.07Å; V147-F151 WeakPolarHBondContact O-CD2 3.47Å; V147-F151 PolarHBondContact O-N 2.9Å; V147-V156 HydrophobicContact CG1-CG1 4.07Å; V147-V156 HydrophobicContact CG1-CG2 3.77Å
148R96.6Very high95.9Very high99 Ų9948.3 Ų48.337%0.37427%0.274SS..Hα-helixtrans-60.7-37.9175.7-74.5175.6178.2175.2-0.8112.6V144 A145 F151 P152 V156 E235V144-R148 HydrophobicContact CG1-CG 4.46Å; V144-R148 WeakPolarHBondContact O-CB 3.39Å; V144-R148 VanDerWaalsContact O-CG 3.29Å; V144-R148 WeakPolarHBondContact O-CG 3.28Å; V144-R148 PolarHBondContact O-N 3.35Å; A145-R148 PolarHBondContact O-N 3.09Å; R148-F151 CarbonylContact O-C 3.55Å; R148-P152 VanDerWaalsContact O-CA 3.26Å; R148-P152 WeakPolarHBondContact O-CA 3.46Å; R148-V156 HydrophobicContact CG-CB 4.04Å; R148-V156 HydrophobicContact CG-CG2 3.68Å; R148-E235 IonicContact CZ-OE2 3.81Å; R148-E235 IonicContact NH1-OE2 3.29Å; R148-E235 IonicContact NH2-OE2 2.92Å; R148-E235 PolarHBondContact NH2-OE2 3.4Å
149S98.2Very high95.7Very high100 Ų10045.3 Ų45.370%0.69926%0.261SS*.Hα-helixtrans-67.3-39.2174.7-1730000112.1A145 S146 V147A145-S149 WeakPolarHBondContact O-CB 3.41Å; A145-S149 PolarHBondContact O-N 3.23Å; S146-S149 PolarHBondContact O-N 2.88Å; V147-S149 VanDerWaalsContact C-N 3.29Å; V147-S149 PolarHBondContact O-N 3.46Å
150S98.2Very high95.5Very high69 Ų6944.5 Ų44.548%0.48326%0.257SS..Hα-helixtrans-74.8-27.9179.8-53.60000113.1S146 V147S146-S150 WeakPolarHBondContact O-CB 3.37Å; S146-S150 PolarHBondContact O-N 3.45Å; S146-S150 PolarHBondContact O-OG 3.1Å; V147-S150 PolarHBondContact O-N 3.35Å; V147-S150 VanDerWaalsContact O-N 3.14Å
151F97Very high95.3Very high76 Ų7644.5 Ų44.533%0.33326%0.257SS..  trans-134.367.6-176.2-57.1-80.1000110.5L55 I111 V147 R148 D153 K154L55-F151 HydrophobicContact CD1-CE2 4.09Å; L55-F151 HydrophobicContact CD1-CZ 3.96Å; I111-F151 HydrophobicContact CD1-CB 3.55Å; I111-F151 HydrophobicContact CD1-CD1 3.88Å; I111-F151 HydrophobicContact CD1-CD2 3.39Å; I111-F151 HydrophobicContact CD1-CE1 4.43Å; I111-F151 HydrophobicContact CD1-CE2 4Å; I111-F151 HydrophobicContact CD1-CG 3.32Å; I111-F151 HydrophobicContact CD1-CZ 4.48Å; V147-F151 HydrophobicContact CG1-CD2 4.07Å; V147-F151 WeakPolarHBondContact O-CD2 3.47Å; V147-F151 PolarHBondContact O-N 2.9Å; R148-F151 CarbonylContact O-C 3.55Å; F151-D153 PolarHBondContact O-N 2.82Å; F151-K154 HydrophobicContact CB-CB 3.95Å; F151-K154 HydrophobicContact CB-CG 3.83Å; F151-K154 PolarHBondContact O-N 3.14Å; F151-K154 VanDerWaalsContact O-N 3.1Å
152P96.3Very high95Very high98 Ų9842.6 Ų42.664%0.63625%0.248SC*.THydrogen-bonded Turntrans-63.8-26.4-171.325.3-35.2000113.9R148 K154R148-P152 VanDerWaalsContact O-CA 3.26Å; R148-P152 WeakPolarHBondContact O-CA 3.46Å; P152-K154 VanDerWaalsContact C-N 3.33Å
153D95.5Very high94.7Very high145 Ų14540 Ų4078%0.77523%0.229SC*.THydrogen-bonded Turntrans-89.13.2-179.9-55.2-49.8000113.3F151F151-D153 PolarHBondContact O-N 2.82Å
154K92.8Very high94.6Very high64 Ų6440 Ų4028%0.27823%0.229SC..SBendtrans-108.3141.5-174.9-57.8-62.4176-175.90111.8E108 D109 I111 F151 P152 V156E108-K154 VanDerWaalsContact O-CD 3.27Å; E108-K154 WeakPolarHBondContact O-CD 3.46Å; E108-K154 WeakPolarHBondContact O-CE 3.08Å; E108-K154 PolarHBondContact O-NZ 2.75Å; D109-K154 IonicContact OD1-NZ 3.17Å; D109-K154 PolarHBondContact OD1-NZ 3.12Å; I111-K154 HydrophobicContact CD1-CB 3.99Å; I111-K154 HydrophobicContact CD1-CG 4.15Å; I111-K154 HydrophobicContact CG1-CB 4.2Å; F151-K154 HydrophobicContact CB-CB 3.95Å; F151-K154 HydrophobicContact CB-CG 3.83Å; F151-K154 PolarHBondContact O-N 3.14Å; F151-K154 VanDerWaalsContact O-N 3.1Å; P152-K154 VanDerWaalsContact C-N 3.33Å; K154-V156 PolarHBondContact O-N 2.81Å
155H91.1Very high94.4Very high53 Ų5340.7 Ų40.725%0.24523%0.232CC..EExtended strand (participates in β ladder)trans-76.1120.6170-176.8-96.9000109.9D109 V110 I111 S157 E235D109-H155 PolarHBondContact O-N 3.02Å; V110-H155 WeakPolarHBondContact CA-O 3.26Å; V110-H155 HydrophobicContact CG2-CB 4.47Å; I111-H155 PolarHBondContact N-O 2.97Å; H155-S157 PolarHBondContact CE1-OG 2.98Å; H155-S157 PolarHBondContact ND1-OG 3.12Å; H155-E235 PolarHBondContact CE1-O 2.51Å; H155-E235 PolarHBondContact NE2-O 2.94Å
156V93Very high94.3Very high3 Ų337.9 Ų37.92%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-102.4115.6-178.3-178.80000110I113 V147 R148 K154I113-V156 HydrophobicContact CD1-CG1 3.47Å; I113-V156 VanDerWaalsContact CD1-CG1 3.47Å; I113-V156 HydrophobicContact CG1-CG1 4.08Å; V147-V156 HydrophobicContact CG1-CG1 4.07Å; V147-V156 HydrophobicContact CG1-CG2 3.77Å; R148-V156 HydrophobicContact CG-CB 4.04Å; R148-V156 HydrophobicContact CG-CG2 3.68Å; K154-V156 PolarHBondContact O-N 2.81Å
157S91Very high94.1Very high0 Ų037.1 Ų37.10%020%0.203CC..EExtended strand (participates in β ladder)trans-108.6148.1178.9-74.60000110.9I111 I112 I113 H155 F236I111-S157 PolarHBondContact O-N 2.81Å; I112-S157 CarbonylContact C-O 3.48Å; I112-S157 WeakPolarHBondContact CA-O 3.19Å; I113-S157 PolarHBondContact N-O 2.65Å; H155-S157 PolarHBondContact CE1-OG 2.98Å; H155-S157 PolarHBondContact ND1-OG 3.12Å; S157-F236 VanDerWaalsContact CB-CD2 3.43Å
158V93.6Very high93.9Very high1 Ų138.3 Ų38.31%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-123131.3-178.4-1780000109.7I113 L140 V144 L205 M207 A232 S233I113-V158 HydrophobicContact CB-CG2 4.38Å; I113-V158 HydrophobicContact CD1-CG2 4.44Å; I113-V158 CarbonylContact O-C 3.44Å; I113-V158 WeakPolarHBondContact O-CA 3.06Å; L140-V158 HydrophobicContact CD1-CG1 4.29Å; L140-V158 HydrophobicContact CD2-CG1 3.64Å; L140-V158 HydrophobicContact CG-CG1 4.14Å; V144-V158 HydrophobicContact CG2-CG2 3.52Å; V158-L205 HydrophobicContact CG2-CD1 4.26Å; V158-M207 HydrophobicContact CG1-CE 4.32Å; V158-A232 CarbonylContact O-C 3.44Å; V158-A232 VanDerWaalsContact O-CA 3.27Å; V158-A232 WeakPolarHBondContact O-CA 3.33Å; V158-S233 PolarHBondContact N-OG 3.09Å; V158-S233 PolarHBondContact O-N 2.93Å
159L93.4Very high93.8Very high0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-110.6131.8162.9-67.1169.3000108L4 I112 I113 V114 A115 L210 V230 Y231 A232 F236 I325L4-L159 HydrophobicContact CD1-CD1 3.64Å; I112-L159 HydrophobicContact CG2-CD1 3.89Å; I112-L159 HydrophobicContact CG2-CG 4.21Å; I113-L159 PolarHBondContact O-N 2.84Å; V114-L159 HydrophobicContact CG2-CD1 4.45Å; A115-L159 PolarHBondContact N-O 2.79Å; L159-L210 HydrophobicContact CD2-CD1 4.3Å; L159-V230 HydrophobicContact CD2-CG1 4.49Å; L159-Y231 CarbonylContact C-O 3.16Å; L159-Y231 VanDerWaalsContact CA-O 3.3Å; L159-Y231 WeakPolarHBondContact CA-O 2.99Å; L159-A232 HydrophobicContact CD2-CB 4.03Å; L159-F236 HydrophobicContact CD1-CZ 4.46Å; L159-F236 HydrophobicContact CD2-CE2 3.8Å; L159-F236 HydrophobicContact CD2-CZ 3.83Å; L159-F236 HydrophobicContact CG-CE2 3.88Å; L159-F236 HydrophobicContact CG-CZ 4.16Å; L159-I325 HydrophobicContact CD1-CD1 3.79Å; L159-I325 HydrophobicContact CD1-CG2 4.44Å; L159-I325 HydrophobicContact CD2-CD1 4.42Å
160F94.3Very high93.7Very high2 Ų237.7 Ų37.71%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-122.8110.7176-172-84.9000108.8L97 A115 T117 C136 L140 L164 L176 M207 Y231L97-F160 HydrophobicContact CD1-CE2 3.9Å; L97-F160 HydrophobicContact CD1-CZ 4.48Å; A115-F160 HydrophobicContact CB-CD2 3.61Å; A115-F160 HydrophobicContact CB-CE2 4.2Å; A115-F160 HydrophobicContact CB-CG 4.37Å; T117-F160 HydrophobicContact CG2-CE1 4.04Å; T117-F160 HydrophobicContact CG2-CZ 3.8Å; C136-F160 HydrophobicContact CB-CE2 4.02Å; C136-F160 HydrophobicContact CB-CZ 4.02Å; L140-F160 HydrophobicContact CD2-CD2 3.64Å; L140-F160 HydrophobicContact CD2-CE2 4.3Å; F160-L164 HydrophobicContact CE1-CD2 4.08Å; F160-L176 HydrophobicContact CD1-CD1 4.4Å; F160-L176 HydrophobicContact CE1-CD1 4.24Å; F160-L176 HydrophobicContact CE1-CD2 4.39Å; F160-M207 HydrophobicContact CB-CE 3.86Å; F160-M207 HydrophobicContact CB-SD 3.55Å; F160-M207 VanDerWaalsContact CB-SD 3.55Å; F160-M207 HydrophobicContact CD2-CE 4.3Å; F160-M207 HydrophobicContact CG-CE 4.23Å; F160-M207 HydrophobicContact CG-SD 4.16Å; F160-Y231 HydrophobicContact CD1-CD2 4.08Å; F160-Y231 PolarHBondContact N-O 2.89Å; F160-Y231 WeakPolarHBondContact O-CD2 3.01Å; F160-Y231 PolarHBondContact O-N 3.38Å
161C92.3Very high93.7Very high0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-108.3158-179-550000110.4C6 A115 N116 T117 Y229 A323C6-C161 HydrophobicContact CB-CB 3.68Å; A115-C161 PolarHBondContact O-N 2.79Å; N116-C161 CarbonylContact C-O 3.54Å; N116-C161 VanDerWaalsContact CA-O 3.29Å; N116-C161 WeakPolarHBondContact CA-O 3.44Å; N116-C161 PolarHBondContact OD1-O 2.81Å; T117-C161 PolarHBondContact N-O 2.84Å; T117-C161 VanDerWaalsContact N-O 3.1Å; C161-Y229 CarbonylContact C-O 3.55Å; C161-Y229 VanDerWaalsContact CA-O 3.24Å; C161-Y229 WeakPolarHBondContact CA-O 3.21Å; C161-A323 HydrophobicContact CB-CB 4.07Å
162G90.7Very high93.7Very high1 Ų131.3 Ų31.31%0.0117%0.166CC..EExtended strand (participates in β ladder)trans153.5160.2164.600000114.7T117 L164 Y229T117-G162 WeakPolarHBondContact O-CA 3.02Å; G162-L164 PolarHBondContact O-N 2.86Å; G162-Y229 PolarHBondContact N-O 3.33Å; G162-Y229 PolarHBondContact O-N 2.9Å
163D90Very high93.7Very high16 Ų1627.9 Ų27.99%0.08614%0.142CC..EExtended strand (participates in β ladder)trans-70.7108.8157.7179.50.1000109.2Q8 T117 H118 L119 N165 L227 D228Q8-D163 HydrophobicContact CG-CB 4.37Å; T117-D163 PolarHBondContact O-N 2.87Å; H118-D163 CarbonylContact C-O 3.6Å; H118-D163 WeakPolarHBondContact CA-O 3.29Å; H118-D163 IonicContact CD2-OD2 2.69Å; H118-D163 IonicContact CE1-OD2 3.28Å; H118-D163 IonicContact NE2-OD2 3.17Å; H118-D163 PolarHBondContact NE2-OD2 2.79Å; L119-D163 PolarHBondContact N-O 3.38Å; D163-N165 WeakPolarHBondContact OD1-CA 3.41Å; D163-N165 PolarHBondContact OD1-N 2.95Å; D163-N165 PolarHBondContact OD1-ND2 2.85Å; D163-N165 PolarHBondContact OD2-ND2 2.8Å; D163-L227 WeakPolarHBondContact CA-O 3.07Å; D163-D228 WeakPolarHBondContact CB-OD1 3.39Å
164L93.8Very high93.8Very high1 Ų126.1 Ų26.11%0.00512%0.124CC..  trans-87-7.3178.8-60.3-173.9000113.4T117 L119 R129 F160 G162 S166 V172 L176 L227 Y229 Y231T117-L164 HydrophobicContact CG2-CD2 4.25Å; L119-L164 HydrophobicContact CD1-CB 4.22Å; L119-L164 HydrophobicContact CD1-CD2 3.86Å; L119-L164 HydrophobicContact CG-CD2 4.18Å; R129-L164 VanDerWaalsContact CD-O 3.32Å; R129-L164 WeakPolarHBondContact CD-O 3.22Å; F160-L164 HydrophobicContact CE1-CD2 4.08Å; G162-L164 PolarHBondContact O-N 2.86Å; L164-S166 WeakPolarHBondContact O-CB 3.25Å; L164-S166 PolarHBondContact O-N 2.85Å; L164-S166 PolarHBondContact O-OG 3.08Å; L164-V172 HydrophobicContact CB-CG1 4.33Å; L164-V172 HydrophobicContact CD1-CG1 3.92Å; L164-V172 HydrophobicContact CD2-CG1 4.39Å; L164-V172 HydrophobicContact CG-CG1 4.46Å; L164-L176 HydrophobicContact CD1-CD1 3.58Å; L164-L176 HydrophobicContact CD2-CD1 4.4Å; L164-L227 PolarHBondContact N-O 2.97Å; L164-Y229 HydrophobicContact CB-CD2 4.01Å; L164-Y229 HydrophobicContact CB-CE2 4.04Å; L164-Y229 HydrophobicContact CD1-CD2 3.47Å; L164-Y229 VanDerWaalsContact CD1-CD2 3.47Å; L164-Y229 HydrophobicContact CD1-CE2 3.88Å; L164-Y229 HydrophobicContact CD1-CG 4.08Å; L164-Y229 HydrophobicContact CG-CD2 3.6Å; L164-Y229 HydrophobicContact CG-CE2 4.11Å; L164-Y229 HydrophobicContact CG-CG 4.49Å; L164-Y231 HydrophobicContact CD1-CE2 3.75Å; L164-Y231 WeakPolarHBondContact CD1-OH 3.32Å
165N92Very high94Very high23 Ų2323 Ų2312%0.12311%0.111CC..SBendtrans44.833.7-170.6-83.7-77.9000112.2H118 L119 S121 R129 D163H118-N165 PolarHBondContact CD2-ND2 3.1Å; H118-N165 PolarHBondContact NE2-ND2 3.35Å; L119-N165 PolarHBondContact O-ND2 3.09Å; L119-N165 VanDerWaalsContact O-ND2 3.08Å; S121-N165 VanDerWaalsContact CA-CG 3.5Å; R129-N165 WeakPolarHBondContact CD-O 3.4Å; R129-N165 PolarHBondContact NE-O 3.36Å; D163-N165 WeakPolarHBondContact OD1-CA 3.41Å; D163-N165 PolarHBondContact OD1-N 2.95Å; D163-N165 PolarHBondContact OD1-ND2 2.85Å; D163-N165 PolarHBondContact OD2-ND2 2.8Å
166S94.7Very high94.3Very high1 Ų120.5 Ų20.51%0.00710%0.099CC..  trans-143.7129.4-173.9-58.50000109.4R129 L164 M170 V172 Y229R129-S166 WeakPolarHBondContact CD-OG 3.07Å; R129-S166 PolarHBondContact NE-OG 3.25Å; L164-S166 WeakPolarHBondContact O-CB 3.25Å; L164-S166 PolarHBondContact O-N 2.85Å; L164-S166 PolarHBondContact O-OG 3.08Å; S166-M170 VanDerWaalsContact CA-SD 3.6Å; S166-V172 WeakPolarHBondContact OG-CG2 3.44Å; S166-Y229 VanDerWaalsContact O-CE2 3.26Å; S166-Y229 WeakPolarHBondContact O-CE2 3.29Å; S166-Y229 PolarHBondContact O-OH 3.01Å
167T94.2Very high94.4Very high27 Ų2721.8 Ų21.817%0.16611%0.107CC..  trans-75.2167.317772.80000111.4E169 M170 F223 L227 Y229T167-E169 WeakPolarHBondContact CB-OE2 3.37Å; T167-E169 PolarHBondContact O-N 3.37Å; T167-E169 VanDerWaalsContact O-N 3.12Å; T167-E169 PolarHBondContact OG1-OE2 2.74Å; T167-M170 PolarHBondContact N-SD 3.21Å; T167-M170 VanDerWaalsContact N-SD 3.38Å; T167-M170 WeakPolarHBondContact O-CB 3.43Å; T167-M170 PolarHBondContact O-N 2.98Å; T167-M170 WeakPolarHBondContact OG1-CG 3.35Å; T167-F223 HydrophobicContact CG2-CE2 4.1Å; T167-F223 HydrophobicContact CG2-CZ 3.81Å; T167-L227 HydrophobicContact CG2-CD2 4.31Å; T167-Y229 VanDerWaalsContact C-OH 3.24Å; T167-Y229 WeakPolarHBondContact CA-OH 3.3Å
168P93.7Very high94.7Very high26 Ų2624.6 Ų24.617%0.16912%0.124CC..THydrogen-bonded Turntrans-59.2-24.7-179.2-24.735000114.2M170 H173 T213 C226 Y229P168-M170 VanDerWaalsContact C-N 3.31Å; P168-H173 PolarHBondContact O-CD2 2.87Å; P168-T213 HydrophobicContact CB-CG2 4.26Å; P168-T213 HydrophobicContact CG-CG2 4Å; P168-C226 HydrophobicContact CG-CB 4.37Å; P168-Y229 VanDerWaalsContact CD-OH 3.23Å; P168-Y229 WeakPolarHBondContact CD-OH 3.36Å; P168-Y229 HydrophobicContact CG-CE1 4.37Å; P168-Y229 VanDerWaalsContact N-OH 3.17Å
169E94.7Very high94.8Very high135 Ų13524.5 Ų24.563%0.63112%0.124SC*.THydrogen-bonded Turntrans-77.7-18178.3-56.472.3-153.500112.8T167 R174T167-E169 WeakPolarHBondContact CB-OE2 3.37Å; T167-E169 PolarHBondContact O-N 3.37Å; T167-E169 VanDerWaalsContact O-N 3.12Å; T167-E169 PolarHBondContact OG1-OE2 2.74Å; E169-R174 PolarHBondContact O-NH2 2.79Å; E169-R174 VanDerWaalsContact O-NH2 3.16Å
170M96Very high95Very high51 Ų5125.9 Ų25.925%0.25113%0.132SC..SBendtrans-81.3159-173.6-62.3-174.773.400112.8R129 S166 T167 P168 V172 H173 R174R129-M170 VanDerWaalsContact NH2-CE 3.32Å; S166-M170 VanDerWaalsContact CA-SD 3.6Å; T167-M170 PolarHBondContact N-SD 3.21Å; T167-M170 VanDerWaalsContact N-SD 3.38Å; T167-M170 WeakPolarHBondContact O-CB 3.43Å; T167-M170 PolarHBondContact O-N 2.98Å; T167-M170 WeakPolarHBondContact OG1-CG 3.35Å; P168-M170 VanDerWaalsContact C-N 3.31Å; M170-V172 VanDerWaalsContact C-N 3.25Å; M170-V172 PolarHBondContact O-N 3.23Å; M170-H173 PolarHBondContact O-N 2.89Å; M170-H173 VanDerWaalsContact O-N 3.17Å; M170-R174 PolarHBondContact O-N 3.16Å
171S97.2Very high95.1Very high8 Ų825.9 Ų25.96%0.05613%0.132CC..Hα-helixtrans-64.4-26.1-170.6-39.50000113.9R174 L175 D185 G187S171-R174 PolarHBondContact O-N 2.93Å; S171-L175 WeakPolarHBondContact O-CB 3.29Å; S171-L175 PolarHBondContact O-N 2.59Å; S171-D185 VanDerWaalsContact CB-OD1 3.25Å; S171-D185 WeakPolarHBondContact CB-OD1 3.39Å; S171-D185 PolarHBondContact OG-OD1 3.44Å; S171-G187 WeakPolarHBondContact OG-CA 3.12Å; S171-G187 PolarHBondContact OG-N 2.98Å
172V97.8Very high95.3Very high3 Ų330 Ų302%0.01815%0.151CC..Hα-helixtrans-64.3-48.1175.3179.60000110.7L119 R129 L130 A133 L164 S166 M170 R174 L175 L176L119-V172 HydrophobicContact CD1-CG1 3.99Å; R129-V172 HydrophobicContact CB-CG2 4Å; L130-V172 HydrophobicContact CD1-CG2 4.47Å; A133-V172 HydrophobicContact CB-CG1 3.7Å; A133-V172 HydrophobicContact CB-CG2 4.36Å; L164-V172 HydrophobicContact CB-CG1 4.33Å; L164-V172 HydrophobicContact CD1-CG1 3.92Å; L164-V172 HydrophobicContact CD2-CG1 4.39Å; L164-V172 HydrophobicContact CG-CG1 4.46Å; S166-V172 WeakPolarHBondContact OG-CG2 3.44Å; M170-V172 VanDerWaalsContact C-N 3.25Å; M170-V172 PolarHBondContact O-N 3.23Å; V172-R174 VanDerWaalsContact C-N 3.3Å; V172-R174 PolarHBondContact O-N 3.18Å; V172-L175 WeakPolarHBondContact O-CB 3.27Å; V172-L175 PolarHBondContact O-N 2.96Å; V172-L176 HydrophobicContact CG1-CD1 4.31Å; V172-L176 WeakPolarHBondContact O-CG 3.32Å; V172-L176 PolarHBondContact O-N 2.81Å; V172-L176 VanDerWaalsContact O-N 3.13Å
173H96.6Very high95.5Very high26 Ų2634.2 Ų34.212%0.1217%0.169CC..Hα-helixtrans-61.5-41.5176.4-176.380.5000111.2P168 M170 L175 L176 T177 Y229 Y231P168-H173 PolarHBondContact O-CD2 2.87Å; M170-H173 PolarHBondContact O-N 2.89Å; M170-H173 VanDerWaalsContact O-N 3.17Å; H173-L175 PolarHBondContact O-N 3.03Å; H173-L176 PolarHBondContact O-N 3.35Å; H173-T177 WeakPolarHBondContact O-CG2 3.44Å; H173-T177 PolarHBondContact O-N 3.4Å; H173-T177 PolarHBondContact O-OG1 3.01Å; H173-Y229 AromaticContact ND1-CE1 3.86Å; H173-Y231 AromaticContact CE1-CE1 3.94Å; H173-Y231 AromaticContact ND1-CE1 3.78Å; H173-Y231 AromaticContact ND1-CZ 3.74Å; H173-Y231 PolarHBondContact ND1-OH 3.32Å
174R96.7Very high95.7Very high107 Ų10739.2 Ų39.240%0.40420%0.196SC..Hα-helixtrans-60.5-43.8175-164-170.8-45.9-66.6-11.8112.2E169 M170 S171 V172 L176 T177 T178 D185E169-R174 PolarHBondContact O-NH2 2.79Å; E169-R174 VanDerWaalsContact O-NH2 3.16Å; M170-R174 PolarHBondContact O-N 3.16Å; S171-R174 PolarHBondContact O-N 2.93Å; V172-R174 VanDerWaalsContact C-N 3.3Å; V172-R174 PolarHBondContact O-N 3.18Å; R174-L176 PolarHBondContact O-N 2.81Å; R174-T177 PolarHBondContact O-N 2.78Å; R174-T177 PolarHBondContact O-OG1 3.16Å; R174-T178 HydrophobicContact CG-CG2 4.02Å; R174-T178 WeakPolarHBondContact O-CB 3.09Å; R174-T178 WeakPolarHBondContact O-CG2 3.22Å; R174-T178 PolarHBondContact O-N 3.44Å; R174-T178 PolarHBondContact O-OG1 3.23Å; R174-D185 IonicContact NE-OD2 2.87Å
175L97.8Very high95.8Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-57.2-50.1177176.857.5000110.9L130 A133 A134 S171 V172 H173 G179 V181 I201 T203L130-L175 HydrophobicContact CD1-CB 4.33Å; L130-L175 HydrophobicContact CD1-CD2 3.98Å; A133-L175 HydrophobicContact CB-CD2 4.18Å; A134-L175 HydrophobicContact CB-CD2 4.49Å; S171-L175 WeakPolarHBondContact O-CB 3.29Å; S171-L175 PolarHBondContact O-N 2.59Å; V172-L175 WeakPolarHBondContact O-CB 3.27Å; V172-L175 PolarHBondContact O-N 2.96Å; H173-L175 PolarHBondContact O-N 3.03Å; L175-G179 WeakPolarHBondContact O-CA 3.31Å; L175-G179 PolarHBondContact O-N 2.93Å; L175-V181 HydrophobicContact CB-CG2 3.65Å; L175-V181 HydrophobicContact CD1-CG2 4.22Å; L175-V181 HydrophobicContact CG-CG2 4.45Å; L175-I201 HydrophobicContact CD1-CB 4.14Å; L175-I201 HydrophobicContact CD1-CG2 3.52Å; L175-I201 HydrophobicContact CD2-CG2 4.29Å; L175-T203 HydrophobicContact CD1-CG2 4.34Å
176L97.1Very high95.9Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-66.6-39.3-176.2-64174.1000112.7I137 F160 L164 V172 H173 R174 M207 Y231I137-L176 HydrophobicContact CD1-CD2 3.38Å; I137-L176 HydrophobicContact CG1-CD2 3.6Å; F160-L176 HydrophobicContact CD1-CD1 4.4Å; F160-L176 HydrophobicContact CE1-CD1 4.24Å; F160-L176 HydrophobicContact CE1-CD2 4.39Å; L164-L176 HydrophobicContact CD1-CD1 3.58Å; L164-L176 HydrophobicContact CD2-CD1 4.4Å; V172-L176 HydrophobicContact CG1-CD1 4.31Å; V172-L176 WeakPolarHBondContact O-CG 3.32Å; V172-L176 PolarHBondContact O-N 2.81Å; V172-L176 VanDerWaalsContact O-N 3.13Å; H173-L176 PolarHBondContact O-N 3.35Å; R174-L176 PolarHBondContact O-N 2.81Å; L176-M207 PolarHBondContact O-N 2.82Å; L176-Y231 HydrophobicContact CB-CD1 4.32Å; L176-Y231 HydrophobicContact CB-CE1 4.09Å; L176-Y231 HydrophobicContact CD1-CD2 3.99Å; L176-Y231 HydrophobicContact CD1-CE1 4.27Å; L176-Y231 HydrophobicContact CD1-CE2 3.45Å; L176-Y231 VanDerWaalsContact CD1-CE2 3.45Å
177T95.5Very high96Very high29 Ų2944.2 Ų44.218%0.17823%0.232CC..Hα-helixtrans-86.6-36.1-17455.90000114.3H173 R174 M207 C209 Y231 R234H173-T177 WeakPolarHBondContact O-CG2 3.44Å; H173-T177 PolarHBondContact O-N 3.4Å; H173-T177 PolarHBondContact O-OG1 3.01Å; R174-T177 PolarHBondContact O-N 2.78Å; R174-T177 PolarHBondContact O-OG1 3.16Å; T177-M207 WeakPolarHBondContact CA-O 3.43Å; T177-C209 HydrophobicContact CG2-CB 4.39Å; T177-Y231 HydrophobicContact CG2-CD1 4.33Å; T177-Y231 HydrophobicContact CG2-CE1 3.9Å; T177-R234 PolarHBondContact O-NH2 3.13Å
178T95.7Very high96.1Very high59 Ų5943 Ų4336%0.36222%0.224SC..Hα-helixtrans-99.1-23.6-17774.10000112.8R174 V180 K206R174-T178 HydrophobicContact CG-CG2 4.02Å; R174-T178 WeakPolarHBondContact O-CB 3.09Å; R174-T178 WeakPolarHBondContact O-CG2 3.22Å; R174-T178 PolarHBondContact O-N 3.44Å; R174-T178 PolarHBondContact O-OG1 3.23Å; T178-V180 VanDerWaalsContact C-N 3.29Å; T178-V180 PolarHBondContact OG1-N 3.16Å; T178-V180 PolarHBondContact OG1-O 2.65Å; T178-K206 WeakPolarHBondContact O-CD 3.34Å; T178-K206 WeakPolarHBondContact O-CE 3.48Å; T178-K206 PolarHBondContact O-NZ 3.04Å
179G96.2Very high96.1Very high0 Ų044.1 Ų44.10%023%0.225CC..SBendtrans77.58.6-173.900000114.4L175 R202 T203L175-G179 WeakPolarHBondContact O-CA 3.31Å; L175-G179 PolarHBondContact O-N 2.93Å; G179-R202 CarbonylContact O-C 3.47Å; G179-R202 WeakPolarHBondContact O-CA 3.41Å; G179-T203 PolarHBondContact O-N 3.22Å
180V97.2Very high95.7Very high29 Ų2944.3 Ų44.318%0.17622%0.223CC..EExtended strand (participates in β ladder)trans-139.2134.4-175.2-174.70000111.2T178 I201 R202T178-V180 VanDerWaalsContact C-N 3.29Å; T178-V180 PolarHBondContact OG1-N 3.16Å; T178-V180 PolarHBondContact OG1-O 2.65Å; V180-I201 WeakPolarHBondContact CA-O 3.12Å; V180-R202 HydrophobicContact CG1-CG 4.36Å; V180-R202 HydrophobicContact CG2-CG 4.38Å
181V97.8Very high95.3Very high1 Ų145.3 Ų45.31%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-133.6131.2161.4175.10000108.3L130 L175 D185 I201L130-V181 HydrophobicContact CD1-CG2 4.16Å; L130-V181 HydrophobicContact CD2-CG1 3.87Å; L175-V181 HydrophobicContact CB-CG2 3.65Å; L175-V181 HydrophobicContact CD1-CG2 4.22Å; L175-V181 HydrophobicContact CG-CG2 4.45Å; V181-D185 HydrophobicContact CG1-CB 3.52Å; V181-I201 PolarHBondContact N-O 2.91Å; V181-I201 PolarHBondContact O-N 3.17Å
182H96.7Very high95.2Very high87 Ų8750 Ų5040%0.40327%0.269SS..  trans-85.4157.7-176.5-66-63.1000112.2D184 D185 W188 L199 E200H182-D184 WeakPolarHBondContact CB-OD1 3.46Å; H182-D184 PolarHBondContact O-N 2.93Å; H182-D184 VanDerWaalsContact O-N 3.16Å; H182-D185 VanDerWaalsContact O-CB 3.25Å; H182-D185 WeakPolarHBondContact O-CB 3.34Å; H182-D185 PolarHBondContact O-N 3.41Å; H182-D185 VanDerWaalsContact O-N 3.1Å; H182-W188 VanDerWaalsContact O-CD1 3.3Å; H182-W188 PolarHBondContact O-NE1 2.9Å; H182-L199 CarbonylContact C-O 3.52Å; H182-E200 VanDerWaalsContact CA-OE2 3.28Å; H182-E200 WeakPolarHBondContact CA-OE2 3.4Å; H182-E200 IonicContact CE1-OE1 2.7Å; H182-E200 PolarHBondContact CE1-OE1 2.93Å; H182-E200 IonicContact CG-OE2 2.61Å; H182-E200 IonicContact ND1-OE1 3.06Å; H182-E200 PolarHBondContact ND1-OE1 3.01Å; H182-E200 IonicContact ND1-OE2 2.84Å; H182-E200 PolarHBondContact ND1-OE2 3.41Å; H182-E200 VanDerWaalsContact ND1-OE2 3.17Å
183K95Very high95Very high90 Ų9050.6 Ų50.639%0.39127%0.271SS..THydrogen-bonded Turntrans-56.2-28.9176.1163.6167178.9165.80113.4D197 G198 E200K183-D197 VanDerWaalsContact CE-CG 3.45Å; K183-D197 IonicContact NZ-OD1 3.16Å; K183-D197 IonicContact NZ-OD2 3.69Å; K183-D197 PolarHBondContact NZ-OD2 3.38Å; K183-G198 WeakPolarHBondContact CG-O 3.26Å; K183-E200 PolarHBondContact N-OE2 2.8Å
184D93.3Very high94.8Very high120 Ų12054.5 Ų54.564%0.64230%0.298SS*.THydrogen-bonded Turntrans-95.16-178.764.3-20.2000114.3H182H182-D184 WeakPolarHBondContact CB-OD1 3.46Å; H182-D184 PolarHBondContact O-N 2.93Å; H182-D184 VanDerWaalsContact O-N 3.16Å
185D96.3Very high94.6Very high22 Ų2252.2 Ų52.212%0.11831%0.308CS..  trans-60.4138.8177.4-172.3-73.8000111.7S171 R174 V181 H182 G187 W188S171-D185 VanDerWaalsContact CB-OD1 3.25Å; S171-D185 WeakPolarHBondContact CB-OD1 3.39Å; S171-D185 PolarHBondContact OG-OD1 3.44Å; R174-D185 IonicContact NE-OD2 2.87Å; V181-D185 HydrophobicContact CG1-CB 3.52Å; H182-D185 VanDerWaalsContact O-CB 3.25Å; H182-D185 WeakPolarHBondContact O-CB 3.34Å; H182-D185 PolarHBondContact O-N 3.41Å; H182-D185 VanDerWaalsContact O-N 3.1Å; D185-G187 PolarHBondContact O-N 3.16Å; D185-G187 VanDerWaalsContact O-N 3.13Å; D185-G187 PolarHBondContact OD1-N 3.49Å; D185-W188 WeakPolarHBondContact O-CB 3.41Å; D185-W188 PolarHBondContact O-N 3.49Å; D185-W188 VanDerWaalsContact O-N 3.07Å
186S94.5Very high94.4Very high103 Ų10352.6 Ų52.672%0.7231%0.31SS*.G310 helixtrans-59.5-26-177.7530000113.6W188 R189S186-W188 PolarHBondContact O-N 2.86Å; S186-W188 VanDerWaalsContact O-N 3.13Å; S186-R189 PolarHBondContact O-N 3.14Å; S186-R189 VanDerWaalsContact O-N 3.09Å
187G95.4Very high93.9Very high5 Ų556 Ų565%0.05233%0.329CS..G310 helixtrans-59.3-22.4176.700000113.5S126 H127 S171 D185 R189S126-G187 CarbonylContact C-O 3.59Å; S126-G187 PolarHBondContact OG-O 3.23Å; H127-G187 VanDerWaalsContact CA-O 3.28Å; H127-G187 WeakPolarHBondContact CA-O 3.29Å; H127-G187 PolarHBondContact N-O 2.84Å; S171-G187 WeakPolarHBondContact OG-CA 3.12Å; S171-G187 PolarHBondContact OG-N 2.98Å; D185-G187 PolarHBondContact O-N 3.16Å; D185-G187 VanDerWaalsContact O-N 3.13Å; D185-G187 PolarHBondContact OD1-N 3.49Å; G187-R189 VanDerWaalsContact C-N 3.32Å; G187-R189 PolarHBondContact O-N 3.48Å
188W96.4Very high93.6Very high1 Ų155 Ų550%0.00432%0.324CS..G310 helixtrans-78.4-8177.4-64.9127.2000115.3H127 L130 L131 H182 D185 S186 K190 F196 G198 L199 I201H127-W188 HydrophobicContact CB-CE3 4.08Å; L130-W188 HydrophobicContact CB-CH2 4.05Å; L130-W188 HydrophobicContact CB-CZ3 4.02Å; L130-W188 HydrophobicContact CD2-CD2 3.65Å; L130-W188 HydrophobicContact CD2-CE3 3.85Å; L130-W188 HydrophobicContact CD2-CG 4.42Å; L130-W188 HydrophobicContact CD2-CH2 3.5Å; L130-W188 HydrophobicContact CD2-CZ2 3.31Å; L130-W188 HydrophobicContact CD2-CZ3 3.75Å; L130-W188 HydrophobicContact CG-CE3 4.49Å; L130-W188 HydrophobicContact CG-CH2 3.49Å; L130-W188 VanDerWaalsContact CG-CH2 3.49Å; L130-W188 HydrophobicContact CG-CZ2 3.71Å; L130-W188 HydrophobicContact CG-CZ3 3.91Å; L131-W188 HydrophobicContact CD2-CH2 4.08Å; L131-W188 HydrophobicContact CD2-CZ3 4.03Å; L131-W188 HydrophobicContact CG-CH2 4.25Å; L131-W188 HydrophobicContact CG-CZ3 3.85Å; H182-W188 VanDerWaalsContact O-CD1 3.3Å; H182-W188 PolarHBondContact O-NE1 2.9Å; D185-W188 WeakPolarHBondContact O-CB 3.41Å; D185-W188 PolarHBondContact O-N 3.49Å; D185-W188 VanDerWaalsContact O-N 3.07Å; S186-W188 PolarHBondContact O-N 2.86Å; S186-W188 VanDerWaalsContact O-N 3.13Å; W188-K190 VanDerWaalsContact C-N 3.31Å; W188-K190 PolarHBondContact O-N 3.42Å; W188-F196 HydrophobicContact CE3-CE1 4.11Å; W188-F196 AromaticContact CE3-CZ 3.94Å; W188-F196 HydrophobicContact CE3-CZ 3.94Å; W188-F196 HydrophobicContact CZ3-CZ 4.26Å; W188-F196 WeakPolarHBondContact O-CE1 3.46Å; W188-G198 VanDerWaalsContact CD2-CA 3.47Å; W188-L199 VanDerWaalsContact CE2-N 3.34Å; W188-L199 HydrophobicContact CH2-CB 4.26Å; W188-L199 HydrophobicContact CZ2-CB 3.87Å; W188-L199 PolarHBondContact NE1-O 2.87Å; W188-L199 VanDerWaalsContact NE1-O 3.14Å; W188-I201 HydrophobicContact CH2-CD1 3.67Å; W188-I201 HydrophobicContact CZ2-CD1 3.46Å; W188-I201 VanDerWaalsContact CZ2-CD1 3.46Å; W188-I201 HydrophobicContact CZ2-CG1 4.06Å
189R93.6Very high93.6Very high50 Ų5053.6 Ų53.619%0.18931%0.314CS..  trans53.148.5179-67.7-176.867-160.1-1.9112.5P124 D125 S186 G187 G191 E192 F193P124-R189 WeakPolarHBondContact O-CD 3.24Å; P124-R189 VanDerWaalsContact O-CZ 3.28Å; P124-R189 PolarHBondContact O-NE 3.49Å; P124-R189 PolarHBondContact O-NH1 3.12Å; D125-R189 IonicContact OD1-NH1 3.23Å; S186-R189 PolarHBondContact O-N 3.14Å; S186-R189 VanDerWaalsContact O-N 3.09Å; G187-R189 VanDerWaalsContact C-N 3.32Å; G187-R189 PolarHBondContact O-N 3.48Å; R189-G191 PolarHBondContact O-N 3.41Å; R189-E192 HydrophobicContact CB-CB 4.35Å; R189-E192 HydrophobicContact CB-CG 4.22Å; R189-E192 VanDerWaalsContact CB-OE1 3.3Å; R189-E192 WeakPolarHBondContact CB-OE1 3.23Å; R189-E192 WeakPolarHBondContact CG-OE1 3.48Å; R189-E192 IonicContact CZ-OE1 3.56Å; R189-E192 IonicContact CZ-OE2 3.69Å; R189-E192 VanDerWaalsContact CZ-OE2 3.28Å; R189-E192 VanDerWaalsContact NE-CD 3.27Å; R189-E192 IonicContact NE-OE1 2.8Å; R189-E192 PolarHBondContact NE-OE1 3.06Å; R189-E192 IonicContact NE-OE2 3.67Å; R189-E192 PolarHBondContact NE-OE2 3.36Å; R189-E192 IonicContact NH2-OE1 3.65Å; R189-E192 IonicContact NH2-OE2 2.73Å; R189-E192 PolarHBondContact NH2-OE2 3.13Å; R189-E192 WeakPolarHBondContact O-CB 3.46Å; R189-E192 PolarHBondContact O-N 3.26Å; R189-E192 VanDerWaalsContact O-N 3.14Å; R189-F193 HydrophobicContact CB-CE2 4.17Å
190K86.3Confident93.6Very high139 Ų13957.5 Ų57.560%0.60433%0.332SS*.THydrogen-bonded Turntrans-58.4131.1-175.4-170.6177.3-177178.80111.2W188 E192W188-K190 VanDerWaalsContact C-N 3.31Å; W188-K190 PolarHBondContact O-N 3.42Å; K190-E192 VanDerWaalsContact C-N 3.32Å
191G88.7Confident93.6Very high73 Ų7356.5 Ų56.575%0.75333%0.326SS*.THydrogen-bonded Turntrans88.5-9.4179.400000114.6R189R189-G191 PolarHBondContact O-N 3.41Å
192E93.9Very high93.5Very high107 Ų10764 Ų6450%0.535%0.354SS..THydrogen-bonded Turntrans-81.4-30.6175.8-58.8-165.1-12100112.4R189 K190R189-E192 HydrophobicContact CB-CB 4.35Å; R189-E192 HydrophobicContact CB-CG 4.22Å; R189-E192 VanDerWaalsContact CB-OE1 3.3Å; R189-E192 WeakPolarHBondContact CB-OE1 3.23Å; R189-E192 WeakPolarHBondContact CG-OE1 3.48Å; R189-E192 IonicContact CZ-OE1 3.56Å; R189-E192 IonicContact CZ-OE2 3.69Å; R189-E192 VanDerWaalsContact CZ-OE2 3.28Å; R189-E192 VanDerWaalsContact NE-CD 3.27Å; R189-E192 IonicContact NE-OE1 2.8Å; R189-E192 PolarHBondContact NE-OE1 3.06Å; R189-E192 IonicContact NE-OE2 3.67Å; R189-E192 PolarHBondContact NE-OE2 3.36Å; R189-E192 IonicContact NH2-OE1 3.65Å; R189-E192 IonicContact NH2-OE2 2.73Å; R189-E192 PolarHBondContact NH2-OE2 3.13Å; R189-E192 WeakPolarHBondContact O-CB 3.46Å; R189-E192 PolarHBondContact O-N 3.26Å; R189-E192 VanDerWaalsContact O-N 3.14Å; K190-E192 VanDerWaalsContact C-N 3.32Å
193F94.1Very high93.4Very high14 Ų1460.6 Ų60.66%0.06134%0.339CS..SBendtrans-118.7109.1-178.8-57.8-78000109.9E85 V86 H127 R189 G195 F196E85-F193 HydrophobicContact CG-CE1 4.46Å; V86-F193 HydrophobicContact CG2-CB 3.99Å; V86-F193 HydrophobicContact CG2-CD1 3.78Å; V86-F193 HydrophobicContact CG2-CD2 4.08Å; V86-F193 HydrophobicContact CG2-CE1 4.27Å; V86-F193 HydrophobicContact CG2-CG 3.67Å; H127-F193 AromaticContact CE1-CE2 3.49Å; H127-F193 VanDerWaalsContact CE1-CE2 3.49Å; H127-F193 WeakPolarHBondContact CE1-CE2 3.3Å; H127-F193 AromaticContact CE1-CZ 3.54Å; H127-F193 AromaticContact ND1-CE2 3.94Å; H127-F193 AromaticContact NE2-CE2 3.61Å; H127-F193 AromaticContact NE2-CZ 3.66Å; R189-F193 HydrophobicContact CB-CE2 4.17Å; F193-G195 PolarHBondContact O-N 3.26Å; F193-F196 HydrophobicContact CB-CB 3.7Å; F193-F196 HydrophobicContact CB-CD1 4.48Å; F193-F196 HydrophobicContact CB-CG 4.4Å; F193-F196 HydrophobicContact CD2-CD1 4.49Å; F193-F196 PolarHBondContact O-N 3.45Å; F193-F196 VanDerWaalsContact O-N 3.15Å
194P93Very high93.3Very high108 Ų10861.4 Ų61.470%0.70136%0.356SS*.THydrogen-bonded Turntrans-56.4130.2-179.1-26.835000112.2N83 F196N83-P194 PolarHBondContact ND2-O 3.44Å; P194-F196 PolarHBondContact O-N 3.23Å
195G91.6Very high93.2Very high60 Ų6056.6 Ų56.662%0.61933%0.33SS*.THydrogen-bonded Turntrans80-16.6179.300000115.3T82 F193 D197T82-G195 WeakPolarHBondContact CB-O 3.46Å; T82-G195 PolarHBondContact OG1-O 2.84Å; F193-G195 PolarHBondContact O-N 3.26Å; G195-D197 PolarHBondContact O-N 3.43Å
196F94.1Very high93Very high7 Ų759.7 Ų59.73%0.03134%0.343CS..  trans-76.7108.4174.7-177.1-108.9000110.5C79 N83 V86 H127 L131 W188 F193 P194C79-F196 WeakPolarHBondContact SG-CE2 3.35Å; N83-F196 HydrophobicContact CB-CB 3.81Å; V86-F196 HydrophobicContact CB-CD2 4.28Å; V86-F196 HydrophobicContact CG1-CD2 4.01Å; V86-F196 HydrophobicContact CG1-CE2 3.74Å; V86-F196 HydrophobicContact CG1-CZ 4.2Å; V86-F196 HydrophobicContact CG2-CB 4.42Å; V86-F196 HydrophobicContact CG2-CD1 4.46Å; V86-F196 HydrophobicContact CG2-CD2 4.15Å; V86-F196 HydrophobicContact CG2-CG 4.09Å; H127-F196 HydrophobicContact CB-CE1 4.12Å; H127-F196 HydrophobicContact CB-CZ 4.41Å; L131-F196 HydrophobicContact CD1-CE2 4.48Å; L131-F196 HydrophobicContact CD1-CZ 4.36Å; W188-F196 HydrophobicContact CE3-CE1 4.11Å; W188-F196 AromaticContact CE3-CZ 3.94Å; W188-F196 HydrophobicContact CE3-CZ 3.94Å; W188-F196 HydrophobicContact CZ3-CZ 4.26Å; W188-F196 WeakPolarHBondContact O-CE1 3.46Å; F193-F196 HydrophobicContact CB-CB 3.7Å; F193-F196 HydrophobicContact CB-CD1 4.48Å; F193-F196 HydrophobicContact CB-CG 4.4Å; F193-F196 HydrophobicContact CD2-CD1 4.49Å; F193-F196 PolarHBondContact O-N 3.45Å; F193-F196 VanDerWaalsContact O-N 3.15Å; P194-F196 PolarHBondContact O-N 3.23Å
197D86.9Confident92.9Very high73 Ų7354.9 Ų54.939%0.3931%0.309SS..PPolyproline II helixtrans-99.6129.2166.7-87.2-35.2000109K183 G195K183-D197 VanDerWaalsContact CE-CG 3.45Å; K183-D197 IonicContact NZ-OD1 3.16Å; K183-D197 IonicContact NZ-OD2 3.69Å; K183-D197 PolarHBondContact NZ-OD2 3.38Å; G195-D197 PolarHBondContact O-N 3.43Å
198G89.8Confident92.7Very high8 Ų858.7 Ų58.78%0.08233%0.327CS..PPolyproline II helixtrans-54.6161.5169.500000112.8K183 W188K183-G198 WeakPolarHBondContact CG-O 3.26Å; W188-G198 VanDerWaalsContact CD2-CA 3.47Å
199L94.7Very high92.4Very high28 Ų2860 Ų6015%0.14734%0.336CS..PPolyproline II helixtrans-95.7145.9179.8-72.8170.7000112.1Y75 L76 C79 L131 H182 W188 I201Y75-L199 HydrophobicContact CD2-CD1 3.77Å; Y75-L199 HydrophobicContact CD2-CD2 4.29Å; Y75-L199 HydrophobicContact CE2-CD1 3.99Å; L76-L199 HydrophobicContact CD2-CD1 3.78Å; C79-L199 HydrophobicContact CB-CD1 3.71Å; C79-L199 HydrophobicContact CB-CD2 3.8Å; C79-L199 HydrophobicContact CB-CG 3.81Å; L131-L199 HydrophobicContact CD2-CD1 3.97Å; H182-L199 CarbonylContact C-O 3.52Å; W188-L199 VanDerWaalsContact CE2-N 3.34Å; W188-L199 HydrophobicContact CH2-CB 4.26Å; W188-L199 HydrophobicContact CZ2-CB 3.87Å; W188-L199 PolarHBondContact NE1-O 2.87Å; W188-L199 VanDerWaalsContact NE1-O 3.14Å; L199-I201 HydrophobicContact CB-CD1 4.35Å; L199-I201 HydrophobicContact CB-CG1 3.79Å; L199-I201 PolarHBondContact O-N 3.19Å
200E96.4Very high91.9Very high83 Ų8358.6 Ų58.639%0.38833%0.332SS..  trans-79.7103.4158.3-17682.1-175.700107.6H182 K183 R202H182-E200 VanDerWaalsContact CA-OE2 3.28Å; H182-E200 WeakPolarHBondContact CA-OE2 3.4Å; H182-E200 IonicContact CE1-OE1 2.7Å; H182-E200 PolarHBondContact CE1-OE1 2.93Å; H182-E200 IonicContact CG-OE2 2.61Å; H182-E200 IonicContact ND1-OE1 3.06Å; H182-E200 PolarHBondContact ND1-OE1 3.01Å; H182-E200 IonicContact ND1-OE2 2.84Å; H182-E200 PolarHBondContact ND1-OE2 3.41Å; H182-E200 VanDerWaalsContact ND1-OE2 3.17Å; K183-E200 PolarHBondContact N-OE2 2.8Å; E200-R202 IonicContact OE1-CZ 3.61Å; E200-R202 VanDerWaalsContact OE1-CZ 3.29Å; E200-R202 IonicContact OE1-NE 3.51Å; E200-R202 PolarHBondContact OE1-NE 2.76Å; E200-R202 VanDerWaalsContact OE1-NE 3.17Å; E200-R202 IonicContact OE1-NH2 3.88Å; E200-R202 PolarHBondContact OE1-NH2 2.83Å
201I97Very high91.6Very high7 Ų752.4 Ų52.44%0.03631%0.306CS..EExtended strand (participates in β ladder)trans-101.5128.3-179.1-55176.4000108.7L130 A134 L175 V180 V181 W188 L199L130-I201 HydrophobicContact CG-CD1 4.36Å; A134-I201 HydrophobicContact CB-CD1 3.65Å; A134-I201 HydrophobicContact CB-CG2 4.43Å; L175-I201 HydrophobicContact CD1-CB 4.14Å; L175-I201 HydrophobicContact CD1-CG2 3.52Å; L175-I201 HydrophobicContact CD2-CG2 4.29Å; V180-I201 WeakPolarHBondContact CA-O 3.12Å; V181-I201 PolarHBondContact N-O 2.91Å; V181-I201 PolarHBondContact O-N 3.17Å; W188-I201 HydrophobicContact CH2-CD1 3.67Å; W188-I201 HydrophobicContact CZ2-CD1 3.46Å; W188-I201 VanDerWaalsContact CZ2-CD1 3.46Å; W188-I201 HydrophobicContact CZ2-CG1 4.06Å; L199-I201 HydrophobicContact CB-CD1 4.35Å; L199-I201 HydrophobicContact CB-CG1 3.79Å; L199-I201 PolarHBondContact O-N 3.19Å
202R96.3Very high91.2Very high160 Ų16050.9 Ų50.960%0.60428%0.281SS*.EExtended strand (participates in β ladder)trans-134.4128.4174.5-65.2177.9178.7-95.1-2.1109.4G179 V180 E200G179-R202 CarbonylContact O-C 3.47Å; G179-R202 WeakPolarHBondContact O-CA 3.41Å; V180-R202 HydrophobicContact CG1-CG 4.36Å; V180-R202 HydrophobicContact CG2-CG 4.38Å; E200-R202 IonicContact OE1-CZ 3.61Å; E200-R202 VanDerWaalsContact OE1-CZ 3.29Å; E200-R202 IonicContact OE1-NE 3.51Å; E200-R202 PolarHBondContact OE1-NE 2.76Å; E200-R202 VanDerWaalsContact OE1-NE 3.17Å; E200-R202 IonicContact OE1-NH2 3.88Å; E200-R202 PolarHBondContact OE1-NH2 2.83Å
203T94.2Very high90.7Very high15 Ų1548.7 Ų48.79%0.09228%0.275CS..  trans-127.4145.5174.3176.10000110.4I137 E141 L175 G179 L205I137-T203 HydrophobicContact CG2-CG2 3.86Å; I137-T203 WeakPolarHBondContact CG2-OG1 3.38Å; E141-T203 PolarHBondContact OE1-OG1 2.81Å; L175-T203 HydrophobicContact CD1-CG2 4.34Å; G179-T203 PolarHBondContact O-N 3.22Å; T203-L205 VanDerWaalsContact C-N 3.34Å; T203-L205 PolarHBondContact OG1-N 2.96Å
204S92.1Very high90Very high107 Ų10752.3 Ų52.375%0.74830%0.302SS*.SBendtrans-80.1-21.7171630000112.1E141 K206E141-S204 PolarHBondContact OE1-N 3.26Å; E141-S204 VanDerWaalsContact OE1-N 3.09Å; E141-S204 PolarHBondContact OE1-OG 2.81Å; S204-K206 PolarHBondContact O-N 3.27Å
205L92.8Very high89.1Confident19 Ų1952.2 Ų52.210%0.09929%0.294CS..  trans-8164.7-177.3-168.163.9000111.2L140 E141 V158 T203 M207L140-L205 HydrophobicContact CB-CD2 4.08Å; L140-L205 HydrophobicContact CD2-CD2 3.76Å; L140-L205 HydrophobicContact CG-CD2 3.72Å; E141-L205 HydrophobicContact CG-CB 4.02Å; E141-L205 HydrophobicContact CG-CD2 4.45Å; V158-L205 HydrophobicContact CG2-CD1 4.26Å; T203-L205 VanDerWaalsContact C-N 3.34Å; T203-L205 PolarHBondContact OG1-N 2.96Å; L205-M207 HydrophobicContact CD2-CE 3.65Å; L205-M207 HydrophobicContact CG-CE 3.77Å
206K91.8Very high88.2Confident87 Ų8753 Ų5338%0.37828%0.283SS..  trans-71.4138.2174.1-59.6-177-174-171.10110.2T178 S204 R234T178-K206 WeakPolarHBondContact O-CD 3.34Å; T178-K206 WeakPolarHBondContact O-CE 3.48Å; T178-K206 PolarHBondContact O-NZ 3.04Å; S204-K206 PolarHBondContact O-N 3.27Å; K206-R234 HydrophobicContact CB-CG 4.43Å; K206-R234 PolarHBondContact O-N 2.82Å; K206-R234 VanDerWaalsContact O-N 3.09Å
207M92.3Very high87.1Confident2 Ų253.6 Ų53.61%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-120.5162.2-177.5-51.7-176.8-179.200112.5I137 L140 V158 F160 L176 T177 L205 Y231 A232I137-M207 HydrophobicContact CD1-CE 3.44Å; I137-M207 VanDerWaalsContact CD1-CE 3.44Å; I137-M207 HydrophobicContact CD1-SD 4.46Å; L140-M207 HydrophobicContact CD2-CE 3.85Å; V158-M207 HydrophobicContact CG1-CE 4.32Å; F160-M207 HydrophobicContact CB-CE 3.86Å; F160-M207 HydrophobicContact CB-SD 3.55Å; F160-M207 VanDerWaalsContact CB-SD 3.55Å; F160-M207 HydrophobicContact CD2-CE 4.3Å; F160-M207 HydrophobicContact CG-CE 4.23Å; F160-M207 HydrophobicContact CG-SD 4.16Å; L176-M207 PolarHBondContact O-N 2.82Å; T177-M207 WeakPolarHBondContact CA-O 3.43Å; L205-M207 HydrophobicContact CD2-CE 3.65Å; L205-M207 HydrophobicContact CG-CE 3.77Å; M207-Y231 HydrophobicContact CB-CD1 4.34Å; M207-Y231 HydrophobicContact CB-CG 4.39Å; M207-Y231 HydrophobicContact SD-CG 4.42Å; M207-A232 CarbonylContact C-O 3.59Å; M207-A232 WeakPolarHBondContact CA-O 3.44Å; M207-A232 VanDerWaalsContact CB-O 3.31Å; M207-A232 WeakPolarHBondContact CB-O 3.47Å
208I90.2Very high86.3Confident84 Ų8451.3 Ų51.343%0.43128%0.275SS..EExtended strand (participates in β ladder)trans-106.4125.9172.5-56.9173.5000106.1L210 Y231 A232 R234I208-L210 HydrophobicContact CB-CD2 4.33Å; I208-L210 HydrophobicContact CG2-CD2 4.06Å; I208-L210 PolarHBondContact O-N 3.1Å; I208-Y231 CarbonylContact O-C 3.55Å; I208-Y231 WeakPolarHBondContact O-CA 3.44Å; I208-A232 PolarHBondContact N-O 2.82Å; I208-A232 PolarHBondContact O-N 2.82Å; I208-R234 HydrophobicContact CD1-CG 4.27Å; I208-R234 HydrophobicContact CG1-CG 3.92Å
209C89.8Confident85.3Confident30 Ų3054.4 Ų54.420%0.20329%0.289CS..EExtended strand (participates in β ladder)trans-71.5124171.4-173.10000109.1T177 Y231T177-C209 HydrophobicContact CG2-CB 4.39Å; C209-Y231 HydrophobicContact CB-CD1 3.84Å; C209-Y231 HydrophobicContact CB-CE1 3.71Å
210L84.6Confident84.1Confident19 Ų1955.4 Ų55.410%0.09930%0.296CS..  trans-98.6-21179.8-49.1-175.2000112.2L159 I208 V230 A232 I240 V261L159-L210 HydrophobicContact CD2-CD1 4.3Å; I208-L210 HydrophobicContact CB-CD2 4.33Å; I208-L210 HydrophobicContact CG2-CD2 4.06Å; I208-L210 PolarHBondContact O-N 3.1Å; L210-V230 WeakPolarHBondContact CA-O 3.32Å; L210-V230 HydrophobicContact CB-CB 4.41Å; L210-V230 HydrophobicContact CB-CG1 4.48Å; L210-V230 WeakPolarHBondContact CB-O 3.38Å; L210-V230 HydrophobicContact CD1-CG1 3.97Å; L210-V230 PolarHBondContact N-O 2.88Å; L210-A232 HydrophobicContact CD1-CB 3.83Å; L210-A232 HydrophobicContact CD2-CB 4.21Å; L210-A232 HydrophobicContact CG-CB 4.27Å; L210-I240 HydrophobicContact CB-CG2 4.13Å; L210-I240 HydrophobicContact CD1-CB 4.4Å; L210-I240 HydrophobicContact CD1-CD1 3.63Å; L210-I240 HydrophobicContact CD1-CG1 3.86Å; L210-I240 HydrophobicContact CD1-CG2 3.82Å; L210-I240 HydrophobicContact CD2-CB 4.21Å; L210-I240 HydrophobicContact CD2-CD1 3.28Å; L210-I240 HydrophobicContact CD2-CG1 4.07Å; L210-I240 HydrophobicContact CD2-CG2 3.98Å; L210-I240 HydrophobicContact CG-CD1 4.08Å; L210-I240 HydrophobicContact CG-CG2 4.17Å; L210-V261 HydrophobicContact CB-CB 4.27Å; L210-V261 HydrophobicContact CB-CG1 4.35Å; L210-V261 HydrophobicContact CB-CG2 3.77Å; L210-V261 HydrophobicContact CD1-CG2 3.79Å; L210-V261 HydrophobicContact CG-CG2 4.46Å
211S80.3Confident83.1Confident9 Ų960.6 Ų60.66%0.06332%0.321CS..SBendtrans-68.3144.8172.5-60.60000111.3T213 Y229 V230S211-T213 PolarHBondContact O-N 3.5Å; S211-Y229 WeakPolarHBondContact OG-CA 3.34Å; S211-V230 PolarHBondContact OG-N 2.99Å
212D78.8Confident82.1Confident42 Ų4267.7 Ų67.723%0.22536%0.359CS..  trans-73.2104.6164.5-176.9-6.7000109.1S214 M215D212-S214 VanDerWaalsContact CG-OG 3.22Å; D212-S214 PolarHBondContact O-N 3.29Å; D212-S214 VanDerWaalsContact O-N 3.13Å; D212-S214 VanDerWaalsContact OD1-CB 3.3Å; D212-S214 WeakPolarHBondContact OD1-CB 3.12Å; D212-S214 PolarHBondContact OD1-N 2.91Å; D212-S214 PolarHBondContact OD1-OG 2.89Å; D212-S214 PolarHBondContact OD2-OG 2.75Å; D212-M215 HydrophobicContact CB-CG 3.83Å; D212-M215 WeakPolarHBondContact O-CB 3.26Å; D212-M215 PolarHBondContact O-N 3.34Å; D212-M215 VanDerWaalsContact O-N 3.1Å
213T83.6Confident81.2Confident61 Ų6163.1 Ų63.137%0.37434%0.344SS..THydrogen-bonded Turntrans-68.5-8.1-178.758.10000113.7P168 S211 Y229P168-T213 HydrophobicContact CB-CG2 4.26Å; P168-T213 HydrophobicContact CG-CG2 4Å; S211-T213 PolarHBondContact O-N 3.5Å; T213-Y229 HydrophobicContact CG2-CE1 4.21Å
214S79.2Confident80.5Confident90 Ų9069.9 Ų69.963%0.62937%0.372SS*.THydrogen-bonded Turntrans-84.5-14.117375.50000113.5D212D212-S214 VanDerWaalsContact CG-OG 3.22Å; D212-S214 PolarHBondContact O-N 3.29Å; D212-S214 VanDerWaalsContact O-N 3.13Å; D212-S214 VanDerWaalsContact OD1-CB 3.3Å; D212-S214 WeakPolarHBondContact OD1-CB 3.12Å; D212-S214 PolarHBondContact OD1-N 2.91Å; D212-S214 PolarHBondContact OD1-OG 2.89Å; D212-S214 PolarHBondContact OD2-OG 2.75Å
215M75.5Confident79.9Confident105 Ų10565.2 Ų65.252%0.51734%0.341SS..SBendtrans-78.2137.5178-67.4-67.1175.100111.1D212 C226D212-M215 HydrophobicContact CB-CG 3.83Å; D212-M215 WeakPolarHBondContact O-CB 3.26Å; D212-M215 PolarHBondContact O-N 3.34Å; D212-M215 VanDerWaalsContact O-N 3.1Å; M215-C226 VanDerWaalsContact O-CB 3.26Å; M215-C226 WeakPolarHBondContact O-CB 3.37Å
216L72.9Confident79.5Confident76 Ų7664.5 Ų64.540%0.39834%0.337SS..  trans-78.6122.7171-59.4178.3000108.6I219 F224L216-I219 HydrophobicContact CB-CD1 4.33Å; L216-I219 HydrophobicContact CB-CG1 4.3Å; L216-I219 HydrophobicContact CD1-CD1 3.91Å; L216-I219 HydrophobicContact CD1-CG1 4.3Å; L216-F224 HydrophobicContact CD2-CB 4.31Å; L216-F224 HydrophobicContact CD2-CD2 4.23Å
217T70.1Confident79.2Confident21 Ų2160.7 Ų60.713%0.12932%0.321CS..  trans-109.2-18.2174.771.60000111.6G225 L227 D228 P263T217-G225 PolarHBondContact N-O 3.05Å; T217-G225 VanDerWaalsContact N-O 3.1Å; T217-L227 PolarHBondContact OG1-N 2.62Å; T217-D228 WeakPolarHBondContact CB-OD2 3.21Å; T217-D228 HydrophobicContact CG2-CB 4.1Å; T217-D228 PolarHBondContact OG1-N 3.19Å; T217-D228 VanDerWaalsContact OG1-N 3.12Å; T217-D228 PolarHBondContact OG1-OD2 3.43Å; T217-P263 HydrophobicContact CG2-CB 4.32Å
218N70.2Confident78.9Confident24 Ų2461 Ų6113%0.12832%0.322CS..EExtended strand (participates in β ladder)trans-129.6135.6172.2-167.828.9000111.9F223 F224 G225 L227N218-F223 HydrophobicContact CB-CE1 4.33Å; N218-F224 WeakPolarHBondContact O-CA 3.22Å; N218-G225 PolarHBondContact N-O 3.25Å; N218-G225 PolarHBondContact O-N 2.88Å; N218-L227 HydrophobicContact CB-CD1 3.68Å; N218-L227 HydrophobicContact CB-CG 4.08Å
219I69.8Low78.8Confident74 Ų7457 Ų5738%0.37930%0.302SS..EExtended strand (participates in β ladder)trans-139.4117.4174.6-57.5-176.8000108.5L216 F267L216-I219 HydrophobicContact CB-CD1 4.33Å; L216-I219 HydrophobicContact CB-CG1 4.3Å; L216-I219 HydrophobicContact CD1-CD1 3.91Å; L216-I219 HydrophobicContact CD1-CG1 4.3Å; I219-F267 HydrophobicContact CD1-CD1 3.88Å; I219-F267 HydrophobicContact CD1-CE1 3.63Å
220T69.2Low78.7Confident48 Ų4855.6 Ų55.629%0.29429%0.292SS..  trans-125.8178.4171.872.10000109.6D222 F223 E270T220-D222 PolarHBondContact O-N 2.68Å; T220-D222 PolarHBondContact OG1-N 2.85Å; T220-F223 PolarHBondContact N-O 3.34Å; T220-F223 PolarHBondContact OG1-N 3.39Å; T220-F223 VanDerWaalsContact OG1-N 3.08Å; T220-F223 PolarHBondContact OG1-O 3.15Å; T220-E270 HydrophobicContact CG2-CG 4.36Å; T220-E270 VanDerWaalsContact CG2-OE2 3.31Å; T220-E270 WeakPolarHBondContact CG2-OE2 3.19Å
221E74.2Confident79Confident193 Ų19354.7 Ų54.790%0.90229%0.288SS*.SBendtrans-59.2-35.2175.4-171.6173-174.400112.2
222D77.3Confident79.5Confident155 Ų15554.2 Ų54.283%0.82929%0.285SS*.SBendtrans-107.7-8.9-172-66.5-43.8000114.1T220T220-D222 PolarHBondContact O-N 2.68Å; T220-D222 PolarHBondContact OG1-N 2.85Å
223F76.6Confident79.9Confident65 Ų6552.4 Ų52.429%0.28528%0.275SS..  trans-147.9140.5-173.2179.3-93.7000113.3T167 N218 T220 L227T167-F223 HydrophobicContact CG2-CE2 4.1Å; T167-F223 HydrophobicContact CG2-CZ 3.81Å; N218-F223 HydrophobicContact CB-CE1 4.33Å; T220-F223 PolarHBondContact N-O 3.34Å; T220-F223 PolarHBondContact OG1-N 3.39Å; T220-F223 VanDerWaalsContact OG1-N 3.08Å; T220-F223 PolarHBondContact OG1-O 3.15Å; F223-L227 HydrophobicContact CD1-CD1 4.37Å; F223-L227 HydrophobicContact CE1-CD1 3.67Å; F223-L227 HydrophobicContact CE1-CD2 3.89Å; F223-L227 HydrophobicContact CE1-CG 3.83Å; F223-L227 HydrophobicContact CZ-CD1 4.33Å; F223-L227 HydrophobicContact CZ-CD2 3.75Å; F223-L227 HydrophobicContact CZ-CG 4.21Å
224F78.6Confident79.6Confident156 Ų15656.9 Ų56.968%0.68429%0.285SS*.EExtended strand (participates in β ladder)trans-137.7134.3167.955.8-87.6000109.6L216 N218L216-F224 HydrophobicContact CD2-CB 4.31Å; L216-F224 HydrophobicContact CD2-CD2 4.23Å; N218-F224 WeakPolarHBondContact O-CA 3.22Å
225G79.8Confident79Confident9 Ų957.8 Ų57.89%0.09328%0.28CS..EExtended strand (participates in β ladder)trans174.5173.2176.900000114.7T217 N218T217-G225 PolarHBondContact N-O 3.05Å; T217-G225 VanDerWaalsContact N-O 3.1Å; N218-G225 PolarHBondContact N-O 3.25Å; N218-G225 PolarHBondContact O-N 2.88Å
226C84.2Confident78.2Confident4 Ų453.7 Ų53.73%0.02726%0.259CS..  trans-82.2117.8168.9-173.80000109.1P168 M215 Y229P168-C226 HydrophobicContact CG-CB 4.37Å; M215-C226 VanDerWaalsContact O-CB 3.26Å; M215-C226 WeakPolarHBondContact O-CB 3.37Å; C226-Y229 PolarHBondContact O-OH 3.09Å
227L85.9Confident77.2Confident7 Ų756.7 Ų56.74%0.03727%0.271CS..  trans-121.6-18176.3-58.8-175.4000112.6D163 L164 T167 T217 N218 F223 Y229D163-L227 WeakPolarHBondContact CA-O 3.07Å; L164-L227 PolarHBondContact N-O 2.97Å; T167-L227 HydrophobicContact CG2-CD2 4.31Å; T217-L227 PolarHBondContact OG1-N 2.62Å; N218-L227 HydrophobicContact CB-CD1 3.68Å; N218-L227 HydrophobicContact CB-CG 4.08Å; F223-L227 HydrophobicContact CD1-CD1 4.37Å; F223-L227 HydrophobicContact CE1-CD1 3.67Å; F223-L227 HydrophobicContact CE1-CD2 3.89Å; F223-L227 HydrophobicContact CE1-CG 3.83Å; F223-L227 HydrophobicContact CZ-CD1 4.33Å; F223-L227 HydrophobicContact CZ-CD2 3.75Å; F223-L227 HydrophobicContact CZ-CG 4.21Å; L227-Y229 VanDerWaalsContact C-CD2 3.48Å; L227-Y229 WeakPolarHBondContact O-CD2 3.34Å; L227-Y229 WeakPolarHBondContact O-CE2 3.49Å
228D85.7Confident76.1Confident8 Ų856.4 Ų56.44%0.04327%0.269CS..EExtended strand (participates in β ladder)trans-103.5125.6-175.5-57.7-82.5000111.4D163 T217 E322D163-D228 WeakPolarHBondContact CB-OD1 3.39Å; T217-D228 WeakPolarHBondContact CB-OD2 3.21Å; T217-D228 HydrophobicContact CG2-CB 4.1Å; T217-D228 PolarHBondContact OG1-N 3.19Å; T217-D228 VanDerWaalsContact OG1-N 3.12Å; T217-D228 PolarHBondContact OG1-OD2 3.43Å; D228-E322 HydrophobicContact CB-CB 4.35Å; D228-E322 WeakPolarHBondContact OD1-CB 3.46Å; D228-E322 WeakPolarHBondContact OD1-CG 3.39Å
229Y87.9Confident74.7Confident1 Ų156.5 Ų56.50%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-133.2147.7-171-58.6-91.2000112.3C161 G162 L164 S166 T167 P168 H173 S211 T213 C226 L227 Y231C161-Y229 CarbonylContact C-O 3.55Å; C161-Y229 VanDerWaalsContact CA-O 3.24Å; C161-Y229 WeakPolarHBondContact CA-O 3.21Å; G162-Y229 PolarHBondContact N-O 3.33Å; G162-Y229 PolarHBondContact O-N 2.9Å; L164-Y229 HydrophobicContact CB-CD2 4.01Å; L164-Y229 HydrophobicContact CB-CE2 4.04Å; L164-Y229 HydrophobicContact CD1-CD2 3.47Å; L164-Y229 VanDerWaalsContact CD1-CD2 3.47Å; L164-Y229 HydrophobicContact CD1-CE2 3.88Å; L164-Y229 HydrophobicContact CD1-CG 4.08Å; L164-Y229 HydrophobicContact CG-CD2 3.6Å; L164-Y229 HydrophobicContact CG-CE2 4.11Å; L164-Y229 HydrophobicContact CG-CG 4.49Å; S166-Y229 VanDerWaalsContact O-CE2 3.26Å; S166-Y229 WeakPolarHBondContact O-CE2 3.29Å; S166-Y229 PolarHBondContact O-OH 3.01Å; T167-Y229 VanDerWaalsContact C-OH 3.24Å; T167-Y229 WeakPolarHBondContact CA-OH 3.3Å; P168-Y229 VanDerWaalsContact CD-OH 3.23Å; P168-Y229 WeakPolarHBondContact CD-OH 3.36Å; P168-Y229 HydrophobicContact CG-CE1 4.37Å; P168-Y229 VanDerWaalsContact N-OH 3.17Å; H173-Y229 AromaticContact ND1-CE1 3.86Å; S211-Y229 WeakPolarHBondContact OG-CA 3.34Å; T213-Y229 HydrophobicContact CG2-CE1 4.21Å; C226-Y229 PolarHBondContact O-OH 3.09Å; L227-Y229 VanDerWaalsContact C-CD2 3.48Å; L227-Y229 WeakPolarHBondContact O-CD2 3.34Å; L227-Y229 WeakPolarHBondContact O-CE2 3.49Å; Y229-Y231 HydrophobicContact CD1-CE2 4.31Å; Y229-Y231 AromaticContact CD1-CZ 3.89Å; Y229-Y231 VanDerWaalsContact CD1-OH 3.28Å; Y229-Y231 WeakPolarHBondContact CD1-OH 3.48Å; Y229-Y231 HydrophobicContact CD2-CE2 4.48Å; Y229-Y231 AromaticContact CG-CE2 3.78Å; Y229-Y231 HydrophobicContact CG-CE2 3.78Å; Y229-Y231 AromaticContact CG-CZ 3.8Å; Y229-Y231 VanDerWaalsContact CG-OH 3.31Å
230V88.3Confident73.5Confident0 Ų055 Ų550%026%0.263CS..EExtended strand (participates in β ladder)trans-118.5125159.8-1760000107.8L159 L210 S211 V261 A323 I325L159-V230 HydrophobicContact CD2-CG1 4.49Å; L210-V230 WeakPolarHBondContact CA-O 3.32Å; L210-V230 HydrophobicContact CB-CB 4.41Å; L210-V230 HydrophobicContact CB-CG1 4.48Å; L210-V230 WeakPolarHBondContact CB-O 3.38Å; L210-V230 HydrophobicContact CD1-CG1 3.97Å; L210-V230 PolarHBondContact N-O 2.88Å; S211-V230 PolarHBondContact OG-N 2.99Å; V230-V261 HydrophobicContact CB-CG1 3.66Å; V230-V261 HydrophobicContact CB-CG2 4.44Å; V230-V261 HydrophobicContact CG1-CG1 4.23Å; V230-V261 HydrophobicContact CG1-CG2 4.15Å; V230-V261 HydrophobicContact CG2-CG1 3.59Å; V230-A323 HydrophobicContact CG2-CB 3.38Å; V230-I325 HydrophobicContact CG1-CD1 3.71Å; V230-I325 HydrophobicContact CG1-CG1 4.33Å
231Y91Very high72.1Confident0 Ų054.8 Ų54.80%026%0.261CS..EExtended strand (participates in β ladder)trans-115.1150.7172.2-56.5-94.9000110.6L159 F160 L164 H173 L176 T177 M207 I208 C209 Y229L159-Y231 CarbonylContact C-O 3.16Å; L159-Y231 VanDerWaalsContact CA-O 3.3Å; L159-Y231 WeakPolarHBondContact CA-O 2.99Å; F160-Y231 HydrophobicContact CD1-CD2 4.08Å; F160-Y231 PolarHBondContact N-O 2.89Å; F160-Y231 WeakPolarHBondContact O-CD2 3.01Å; F160-Y231 PolarHBondContact O-N 3.38Å; L164-Y231 HydrophobicContact CD1-CE2 3.75Å; L164-Y231 WeakPolarHBondContact CD1-OH 3.32Å; H173-Y231 AromaticContact CE1-CE1 3.94Å; H173-Y231 AromaticContact ND1-CE1 3.78Å; H173-Y231 AromaticContact ND1-CZ 3.74Å; H173-Y231 PolarHBondContact ND1-OH 3.32Å; L176-Y231 HydrophobicContact CB-CD1 4.32Å; L176-Y231 HydrophobicContact CB-CE1 4.09Å; L176-Y231 HydrophobicContact CD1-CD2 3.99Å; L176-Y231 HydrophobicContact CD1-CE1 4.27Å; L176-Y231 HydrophobicContact CD1-CE2 3.45Å; L176-Y231 VanDerWaalsContact CD1-CE2 3.45Å; T177-Y231 HydrophobicContact CG2-CD1 4.33Å; T177-Y231 HydrophobicContact CG2-CE1 3.9Å; M207-Y231 HydrophobicContact CB-CD1 4.34Å; M207-Y231 HydrophobicContact CB-CG 4.39Å; M207-Y231 HydrophobicContact SD-CG 4.42Å; I208-Y231 CarbonylContact O-C 3.55Å; I208-Y231 WeakPolarHBondContact O-CA 3.44Å; C209-Y231 HydrophobicContact CB-CD1 3.84Å; C209-Y231 HydrophobicContact CB-CE1 3.71Å; Y229-Y231 HydrophobicContact CD1-CE2 4.31Å; Y229-Y231 AromaticContact CD1-CZ 3.89Å; Y229-Y231 VanDerWaalsContact CD1-OH 3.28Å; Y229-Y231 WeakPolarHBondContact CD1-OH 3.48Å; Y229-Y231 HydrophobicContact CD2-CE2 4.48Å; Y229-Y231 AromaticContact CG-CE2 3.78Å; Y229-Y231 HydrophobicContact CG-CE2 3.78Å; Y229-Y231 AromaticContact CG-CZ 3.8Å; Y229-Y231 VanDerWaalsContact CG-OH 3.31Å
232A90.2Very high70.4Confident0 Ų047.4 Ų47.40%023%0.231CC..EExtended strand (participates in β ladder)trans-121145.5167.300000111.3V158 L159 M207 I208 L210 F236 I240V158-A232 CarbonylContact O-C 3.44Å; V158-A232 VanDerWaalsContact O-CA 3.27Å; V158-A232 WeakPolarHBondContact O-CA 3.33Å; L159-A232 HydrophobicContact CD2-CB 4.03Å; M207-A232 CarbonylContact C-O 3.59Å; M207-A232 WeakPolarHBondContact CA-O 3.44Å; M207-A232 VanDerWaalsContact CB-O 3.31Å; M207-A232 WeakPolarHBondContact CB-O 3.47Å; I208-A232 PolarHBondContact N-O 2.82Å; I208-A232 PolarHBondContact O-N 2.82Å; L210-A232 HydrophobicContact CD1-CB 3.83Å; L210-A232 HydrophobicContact CD2-CB 4.21Å; L210-A232 HydrophobicContact CG-CB 4.27Å; A232-F236 HydrophobicContact CB-CB 4.06Å; A232-F236 HydrophobicContact CB-CD1 4.12Å; A232-F236 HydrophobicContact CB-CD2 3.95Å; A232-F236 HydrophobicContact CB-CE2 4.44Å; A232-F236 HydrophobicContact CB-CG 3.82Å; A232-I240 HydrophobicContact CB-CD1 3.96Å
233S87.9Confident68.5Low4 Ų445 Ų453%0.02822%0.218CC..EExtended strand (participates in β ladder)trans-57.5149.2171.155.30000111.4V158 E235 F236V158-S233 PolarHBondContact N-OG 3.09Å; V158-S233 PolarHBondContact O-N 2.93Å; S233-E235 PolarHBondContact O-N 3.09Å; S233-F236 WeakPolarHBondContact O-CB 3.47Å; S233-F236 PolarHBondContact O-N 3.13Å
234R76.5Confident66.5Low155 Ų15544.9 Ų44.959%0.58524%0.235SC*.THydrogen-bonded Turntrans-62.9-25.9178.2-74.5-177.2-173.3-129.41.7114.3T177 K206 I208 F236T177-R234 PolarHBondContact O-NH2 3.13Å; K206-R234 HydrophobicContact CB-CG 4.43Å; K206-R234 PolarHBondContact O-N 2.82Å; K206-R234 VanDerWaalsContact O-N 3.09Å; I208-R234 HydrophobicContact CD1-CG 4.27Å; I208-R234 HydrophobicContact CG1-CG 3.92Å; R234-F236 PolarHBondContact O-N 3.46Å
235E68.2Low64.2Low109 Ų10945.3 Ų45.351%0.50923%0.233SC..THydrogen-bonded Turntrans-74.6-1.3176.2-65.617518000112.6R148 H155 S233 Q237R148-E235 IonicContact CZ-OE2 3.81Å; R148-E235 IonicContact NH1-OE2 3.29Å; R148-E235 IonicContact NH2-OE2 2.92Å; R148-E235 PolarHBondContact NH2-OE2 3.4Å; H155-E235 PolarHBondContact CE1-O 2.51Å; H155-E235 PolarHBondContact NE2-O 2.94Å; S233-E235 PolarHBondContact O-N 3.09Å; E235-Q237 PolarHBondContact O-N 3.37Å
236F59Low62Low18 Ų1850.7 Ų50.78%0.07927%0.266CS..  trans-63.597.1179.9-158.1-93.8000110.9S157 L159 A232 S233 R234 T238 I240 I259S157-F236 VanDerWaalsContact CB-CD2 3.43Å; L159-F236 HydrophobicContact CD1-CZ 4.46Å; L159-F236 HydrophobicContact CD2-CE2 3.8Å; L159-F236 HydrophobicContact CD2-CZ 3.83Å; L159-F236 HydrophobicContact CG-CE2 3.88Å; L159-F236 HydrophobicContact CG-CZ 4.16Å; A232-F236 HydrophobicContact CB-CB 4.06Å; A232-F236 HydrophobicContact CB-CD1 4.12Å; A232-F236 HydrophobicContact CB-CD2 3.95Å; A232-F236 HydrophobicContact CB-CE2 4.44Å; A232-F236 HydrophobicContact CB-CG 3.82Å; S233-F236 WeakPolarHBondContact O-CB 3.47Å; S233-F236 PolarHBondContact O-N 3.13Å; R234-F236 PolarHBondContact O-N 3.46Å; F236-T238 HydrophobicContact CD1-CG2 4.25Å; F236-T238 WeakPolarHBondContact CD1-O 3.36Å; F236-T238 HydrophobicContact CE1-CG2 3.58Å; F236-T238 HydrophobicContact CZ-CG2 4.38Å; F236-T238 PolarHBondContact O-N 2.95Å; F236-I240 HydrophobicContact CD1-CD1 3.87Å; F236-I240 HydrophobicContact CD1-CG1 4.35Å; F236-I240 HydrophobicContact CE1-CD1 4.13Å; F236-I240 HydrophobicContact CE1-CG1 4.18Å; F236-I259 HydrophobicContact CE1-CD1 3.37Å; F236-I259 HydrophobicContact CE1-CG1 4.4Å; F236-I259 HydrophobicContact CZ-CD1 3.31Å
237Q50.8Low59.4Low140 Ų14052.4 Ų52.465%0.65428%0.28SS*.  trans-76.330.5-178.6-70.5-167-10.400114.4E235E235-Q237 PolarHBondContact O-N 3.37Å
238T47.6Very low56.9Low14 Ų1459.9 Ų59.99%0.08631%0.309CS..SBendtrans-123.6126-178.6-68.10000107.1F236 L257 I259F236-T238 HydrophobicContact CD1-CG2 4.25Å; F236-T238 WeakPolarHBondContact CD1-O 3.36Å; F236-T238 HydrophobicContact CE1-CG2 3.58Å; F236-T238 HydrophobicContact CZ-CG2 4.38Å; F236-T238 PolarHBondContact O-N 2.95Å; T238-L257 CarbonylContact C-O 3.52Å; T238-L257 HydrophobicContact CG2-CB 3.64Å; T238-L257 HydrophobicContact CG2-CD2 3.64Å; T238-L257 HydrophobicContact CG2-CG 3.73Å; T238-L257 WeakPolarHBondContact CG2-O 3.37Å; T238-L257 WeakPolarHBondContact OG1-CD2 3.25Å; T238-I259 HydrophobicContact CG2-CB 4.46Å; T238-I259 HydrophobicContact CG2-CD1 3.68Å; T238-I259 HydrophobicContact CG2-CG1 3.51Å
239V39.4Very low54.3Low27 Ų2767.8 Ų67.816%0.16435%0.346CS..EExtended strand (participates in β ladder)trans-64.2138.5171.7152.20000108.8V241 A255 L257 Y258 I259V239-V241 HydrophobicContact CG1-CG2 3.7Å; V239-A255 HydrophobicContact CB-CB 3.62Å; V239-A255 HydrophobicContact CG2-CB 3.03Å; V239-L257 WeakPolarHBondContact CA-O 3.25Å; V239-L257 PolarHBondContact N-O 3.21Å; V239-L257 VanDerWaalsContact O-O 3.13Å; V239-Y258 HydrophobicContact CB-CD1 4.13Å; V239-Y258 HydrophobicContact CB-CE1 4.42Å; V239-Y258 HydrophobicContact CG1-CD1 3.5Å; V239-Y258 VanDerWaalsContact CG1-CD1 3.5Å; V239-Y258 HydrophobicContact CG1-CE1 3.87Å; V239-Y258 HydrophobicContact CG1-CG 4.49Å; V239-Y258 CarbonylContact O-C 3.23Å; V239-Y258 VanDerWaalsContact O-C 3.23Å; V239-Y258 WeakPolarHBondContact O-CA 3.44Å; V239-I259 PolarHBondContact O-N 3.35Å
240I44.7Very low51.8Low43 Ų4373.4 Ų73.422%0.22138%0.384CS..EExtended strand (participates in β ladder)trans-106.5126175-62.7136.5000106.6L210 A232 F236 I259 V261L210-I240 HydrophobicContact CB-CG2 4.13Å; L210-I240 HydrophobicContact CD1-CB 4.4Å; L210-I240 HydrophobicContact CD1-CD1 3.63Å; L210-I240 HydrophobicContact CD1-CG1 3.86Å; L210-I240 HydrophobicContact CD1-CG2 3.82Å; L210-I240 HydrophobicContact CD2-CB 4.21Å; L210-I240 HydrophobicContact CD2-CD1 3.28Å; L210-I240 HydrophobicContact CD2-CG1 4.07Å; L210-I240 HydrophobicContact CD2-CG2 3.98Å; L210-I240 HydrophobicContact CG-CD1 4.08Å; L210-I240 HydrophobicContact CG-CG2 4.17Å; A232-I240 HydrophobicContact CB-CD1 3.96Å; F236-I240 HydrophobicContact CD1-CD1 3.87Å; F236-I240 HydrophobicContact CD1-CG1 4.35Å; F236-I240 HydrophobicContact CE1-CD1 4.13Å; F236-I240 HydrophobicContact CE1-CG1 4.18Å; I240-I259 CarbonylContact C-O 3.35Å; I240-I259 WeakPolarHBondContact CA-O 3.25Å; I240-I259 HydrophobicContact CB-CB 4.33Å; I240-I259 HydrophobicContact CG1-CB 3.97Å; I240-I259 HydrophobicContact CG1-CG2 4.41Å; I240-I259 HydrophobicContact CG2-CB 4.33Å; I240-I259 HydrophobicContact CG2-CG2 4.29Å; I240-I259 VanDerWaalsContact CG2-O 3.26Å; I240-I259 WeakPolarHBondContact CG2-O 3.48Å; I240-V261 HydrophobicContact CG2-CG2 4.01Å
241V40.7Very low49.3Very low43 Ų4379.2 Ų79.226%0.26141%0.414SS..  trans-123.184176.6-173.60000110.2V239 Y258 I259 T260V239-V241 HydrophobicContact CG1-CG2 3.7Å; V241-Y258 HydrophobicContact CG2-CD1 3.56Å; V241-Y258 HydrophobicContact CG2-CE1 4.46Å; V241-Y258 HydrophobicContact CG2-CG 4.33Å; V241-I259 CarbonylContact C-O 3.21Å; V241-I259 WeakPolarHBondContact CA-O 3.33Å; V241-I259 PolarHBondContact N-O 3.03Å; V241-T260 WeakPolarHBondContact O-CA 3.42Å; V241-T260 WeakPolarHBondContact O-CB 3.19Å; V241-T260 WeakPolarHBondContact O-CG2 3.46Å; V241-T260 PolarHBondContact O-N 2.77Å; V241-T260 PolarHBondContact O-OG1 3.46Å
242S38.5Very low46.6Very low37 Ų3782.8 Ų82.826%0.25944%0.44SS..  trans-61.6154.1169.359.50000112.2G244 V261S242-G244 PolarHBondContact O-N 3.42Å; S242-G244 VanDerWaalsContact O-N 3.15Å; S242-V261 WeakPolarHBondContact CB-O 3.43Å
243D38Very low44.1Very low105 Ų10587.2 Ų87.256%0.56148%0.476SS*.THydrogen-bonded Turntrans-80.316.5-172.748.7-11.6000113.9T260 N262D243-T260 HydrophobicContact CB-CG2 3.54Å; D243-N262 PolarHBondContact OD2-ND2 2.92Å
244G34.7Very low41.8Very low63 Ų6396.2 Ų96.265%0.64952%0.518SS*.THydrogen-bonded Turntrans-115.2-6.3-175.500000118.1S242S242-G244 PolarHBondContact O-N 3.42Å; S242-G244 VanDerWaalsContact O-N 3.15Å
245W30.4Very low39.8Very low165 Ų16589.8 Ų89.863%0.62550%0.498SS*.  trans-125.4131.2-161.6-145-53000116.8A247W245-A247 HydrophobicContact CB-CB 4.4Å; W245-A247 HydrophobicContact CG-CB 3.78Å; W245-A247 PolarHBondContact O-N 3.42Å
246P32.4Very low38.8Very low121 Ų12187.8 Ų87.879%0.78650%0.496SS*.G310 helixtrans-64.16.6162.2-21.333000116.8Y248P246-Y248 PolarHBondContact O-N 3.49Å
247A29.9Very low37.9Very low41 Ų4187.2 Ų87.234%0.33949%0.494SS..G310 helixtrans-82.64.8-175.200000112.4W245 Q249 C250W245-A247 HydrophobicContact CB-CB 4.4Å; W245-A247 HydrophobicContact CG-CB 3.78Å; W245-A247 PolarHBondContact O-N 3.42Å; A247-Q249 PolarHBondContact O-N 2.93Å; A247-C250 PolarHBondContact O-N 3.38Å; A247-C250 VanDerWaalsContact O-N 3.15Å
248Y32.9Very low37.5Very low164 Ų16482.8 Ų82.864%0.64347%0.471SS*.G310 helixtrans-44.5-30.3174.2-175.3-101.2000114P246P246-Y248 PolarHBondContact O-N 3.49Å
249Q31.7Very low37.4Very low173 Ų17382.1 Ų82.181%0.80847%0.467SS*.G310 helixtrans-78.8-21-175.1-67.7-175.9-7.400115.2A247A247-Q249 PolarHBondContact O-N 2.93Å
250C36Very low37.8Very low120 Ų12081.8 Ų81.881%0.81147%0.466SS*.THydrogen-bonded Turntrans-99.2-15-173.6-100.90000115.5A247A247-C250 PolarHBondContact O-N 3.38Å; A247-C250 VanDerWaalsContact O-N 3.15Å
251L35.1Very low37.9Very low121 Ų12179.8 Ų79.863%0.63446%0.455SS*.SBendtrans-107.22.6-172.4-67.4170.8000114.5A253L251-A253 VanDerWaalsContact C-N 3.3Å; L251-A253 PolarHBondContact O-N 2.87Å
252S34.4Very low38.3Very low76 Ų7679.1 Ų79.153%0.53145%0.45SS..THydrogen-bonded Turntrans-80.45.8-173.371.50000115.9
253A38.1Very low38.7Very low93 Ų9378.2 Ų78.277%0.76944%0.444SS*.THydrogen-bonded Turntrans-93.7-10.5-167.100000116.6L251L251-A253 VanDerWaalsContact C-N 3.3Å; L251-A253 PolarHBondContact O-N 2.87Å
254Q38Very low39Very low192 Ų19273.7 Ų73.790%0.89742%0.42SS*.SBendtrans-13716.8-169.1-71.9-166.8-26.100118.1
255A36Very low39.1Very low21 Ų2174.9 Ų74.917%0.17442%0.415CS..  trans-129.3166.7-164.100000119.1V239 K330V239-A255 HydrophobicContact CB-CB 3.62Å; V239-A255 HydrophobicContact CG2-CB 3.03Å; A255-K330 WeakPolarHBondContact O-CE 3.19Å; A255-K330 PolarHBondContact O-NZ 2.97Å
256S46.8Very low39.4Very low67 Ų6768.2 Ų68.247%0.46939%0.391SS..SBendtrans-115.8-17.1-170.1-59.70000115.4K330S256-K330 WeakPolarHBondContact O-CB 3.47Å
257L39.4Very low39.3Very low6 Ų669.2 Ų69.23%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-154.3152.7-177.3-174.675.3000109.3F106 T238 V239 V327 L328F106-L257 HydrophobicContact CD2-CD1 3.76Å; F106-L257 HydrophobicContact CD2-CD2 4.36Å; F106-L257 HydrophobicContact CE2-CD1 3.57Å; F106-L257 HydrophobicContact CE2-CD2 3.37Å; F106-L257 HydrophobicContact CE2-CG 4.14Å; F106-L257 HydrophobicContact CZ-CD1 4.42Å; F106-L257 HydrophobicContact CZ-CD2 3.87Å; T238-L257 CarbonylContact C-O 3.52Å; T238-L257 HydrophobicContact CG2-CB 3.64Å; T238-L257 HydrophobicContact CG2-CD2 3.64Å; T238-L257 HydrophobicContact CG2-CG 3.73Å; T238-L257 WeakPolarHBondContact CG2-O 3.37Å; T238-L257 WeakPolarHBondContact OG1-CD2 3.25Å; V239-L257 WeakPolarHBondContact CA-O 3.25Å; V239-L257 PolarHBondContact N-O 3.21Å; V239-L257 VanDerWaalsContact O-O 3.13Å; L257-V327 HydrophobicContact CD1-CG1 3.69Å; L257-V327 HydrophobicContact CD2-CG1 3.58Å; L257-V327 HydrophobicContact CG-CG1 3.71Å; L257-L328 VanDerWaalsContact CD1-O 3.26Å; L257-L328 WeakPolarHBondContact CD1-O 3.43Å
258Y42.7Very low39.6Very low46 Ų4668.4 Ų68.418%0.1837%0.374CS..EExtended strand (participates in β ladder)trans-118.5139.5-178-59.5-89.8000111.9V239 V241 V327 L328V239-Y258 HydrophobicContact CB-CD1 4.13Å; V239-Y258 HydrophobicContact CB-CE1 4.42Å; V239-Y258 HydrophobicContact CG1-CD1 3.5Å; V239-Y258 VanDerWaalsContact CG1-CD1 3.5Å; V239-Y258 HydrophobicContact CG1-CE1 3.87Å; V239-Y258 HydrophobicContact CG1-CG 4.49Å; V239-Y258 CarbonylContact O-C 3.23Å; V239-Y258 VanDerWaalsContact O-C 3.23Å; V239-Y258 WeakPolarHBondContact O-CA 3.44Å; V241-Y258 HydrophobicContact CG2-CD1 3.56Å; V241-Y258 HydrophobicContact CG2-CE1 4.46Å; V241-Y258 HydrophobicContact CG2-CG 4.33Å; Y258-V327 CarbonylContact O-C 3.58Å; Y258-V327 WeakPolarHBondContact O-CA 3.48Å; Y258-L328 PolarHBondContact N-O 2.95Å; Y258-L328 VanDerWaalsContact N-O 3.07Å; Y258-L328 PolarHBondContact O-N 3.35Å
259I46.4Very low39.8Very low0 Ų064.8 Ų64.80%037%0.366CS..EExtended strand (participates in β ladder)trans-127.4118.7179.4-69.7-169.9000114.5F236 T238 V239 I240 V241 V261 I325 T326 V327F236-I259 HydrophobicContact CE1-CD1 3.37Å; F236-I259 HydrophobicContact CE1-CG1 4.4Å; F236-I259 HydrophobicContact CZ-CD1 3.31Å; T238-I259 HydrophobicContact CG2-CB 4.46Å; T238-I259 HydrophobicContact CG2-CD1 3.68Å; T238-I259 HydrophobicContact CG2-CG1 3.51Å; V239-I259 PolarHBondContact O-N 3.35Å; I240-I259 CarbonylContact C-O 3.35Å; I240-I259 WeakPolarHBondContact CA-O 3.25Å; I240-I259 HydrophobicContact CB-CB 4.33Å; I240-I259 HydrophobicContact CG1-CB 3.97Å; I240-I259 HydrophobicContact CG1-CG2 4.41Å; I240-I259 HydrophobicContact CG2-CB 4.33Å; I240-I259 HydrophobicContact CG2-CG2 4.29Å; I240-I259 VanDerWaalsContact CG2-O 3.26Å; I240-I259 WeakPolarHBondContact CG2-O 3.48Å; V241-I259 CarbonylContact C-O 3.21Å; V241-I259 WeakPolarHBondContact CA-O 3.33Å; V241-I259 PolarHBondContact N-O 3.03Å; I259-V261 HydrophobicContact CG2-CG2 3.95Å; I259-I325 HydrophobicContact CD1-CG2 4.37Å; I259-I325 HydrophobicContact CG2-CG2 3.25Å; I259-T326 CarbonylContact C-O 3.58Å; I259-T326 WeakPolarHBondContact CA-O 3.35Å; I259-V327 HydrophobicContact CD1-CG2 4.24Å; I259-V327 HydrophobicContact CG1-CG2 4.08Å
260T46.2Very low40.2Very low21 Ų2161.2 Ų61.213%0.12935%0.349CS..EExtended strand (participates in β ladder)trans-90.8117.4170.8-51.10000112.9V241 D243 I325 T326V241-T260 WeakPolarHBondContact O-CA 3.42Å; V241-T260 WeakPolarHBondContact O-CB 3.19Å; V241-T260 WeakPolarHBondContact O-CG2 3.46Å; V241-T260 PolarHBondContact O-N 2.77Å; V241-T260 PolarHBondContact O-OG1 3.46Å; D243-T260 HydrophobicContact CB-CG2 3.54Å; T260-I325 CarbonylContact O-C 3.38Å; T260-I325 WeakPolarHBondContact O-CA 3.36Å; T260-T326 PolarHBondContact N-O 3.49Å; T260-T326 PolarHBondContact O-N 3.29Å
261V47.4Very low40.4Very low0 Ų058 Ų580%033%0.328CS..EExtended strand (participates in β ladder)trans-102.2126.7173.9178.80000109.5L210 V230 I240 S242 I259 Q324L210-V261 HydrophobicContact CB-CB 4.27Å; L210-V261 HydrophobicContact CB-CG1 4.35Å; L210-V261 HydrophobicContact CB-CG2 3.77Å; L210-V261 HydrophobicContact CD1-CG2 3.79Å; L210-V261 HydrophobicContact CG-CG2 4.46Å; V230-V261 HydrophobicContact CB-CG1 3.66Å; V230-V261 HydrophobicContact CB-CG2 4.44Å; V230-V261 HydrophobicContact CG1-CG1 4.23Å; V230-V261 HydrophobicContact CG1-CG2 4.15Å; V230-V261 HydrophobicContact CG2-CG1 3.59Å; I240-V261 HydrophobicContact CG2-CG2 4.01Å; S242-V261 WeakPolarHBondContact CB-O 3.43Å; I259-V261 HydrophobicContact CG2-CG2 3.95Å; V261-Q324 VanDerWaalsContact CA-O 3.3Å; V261-Q324 WeakPolarHBondContact CA-O 3.46Å
262N49.6Very low40.6Very low30 Ų3056.6 Ų56.616%0.1632%0.321CS..EExtended strand (participates in β ladder)trans-121104169.7-173.5-41.9000107.3D243 V265 Q324D243-N262 PolarHBondContact OD2-ND2 2.92Å; N262-V265 WeakPolarHBondContact ND2-CG2 3.49Å; N262-V265 WeakPolarHBondContact OD1-CG2 3.3Å; N262-Q324 HydrophobicContact CB-CB 4.27Å; N262-Q324 PolarHBondContact N-O 2.91Å; N262-Q324 PolarHBondContact O-N 3.46Å
263P45.8Very low41Very low18 Ų1854.1 Ų54.112%0.11730%0.3CS..EExtended strand (participates in β ladder)trans-70.3142.7166.330.5-30.2000108.5T217 V265 E322T217-P263 HydrophobicContact CG2-CB 4.32Å; P263-V265 PolarHBondContact O-N 3.34Å; P263-E322 WeakPolarHBondContact CA-O 3.45Å
264S44.4Very low41.4Very low9 Ų951.7 Ų51.76%0.06328%0.277CS..  trans-28.1105.1-17541.40000114.9M321 E322S264-M321 WeakPolarHBondContact CA-O 3.32Å; S264-M321 WeakPolarHBondContact CB-O 3.28Å; S264-M321 PolarHBondContact N-O 3.29Å; S264-E322 PolarHBondContact N-O 3.15Å; S264-E322 VanDerWaalsContact N-O 3.13Å
265V36.5Very low41.7Very low89 Ų8947.9 Ų47.954%0.53926%0.259SS..  trans-81-7.1164.3-151.80000111.4N262 P263 F267N262-V265 WeakPolarHBondContact ND2-CG2 3.49Å; N262-V265 WeakPolarHBondContact OD1-CG2 3.3Å; P263-V265 PolarHBondContact O-N 3.34Å; V265-F267 VanDerWaalsContact O-CD2 3.28Å; V265-F267 WeakPolarHBondContact O-CD2 3.41Å; V265-F267 PolarHBondContact O-N 3.22Å; V265-F267 VanDerWaalsContact O-N 3.09Å
266N37Very low42.2Very low24 Ų2448.3 Ų48.313%0.12826%0.26CS..  trans-85.892.5-172.2-62.2-21.7000109.8V268 L315 C319N266-V268 PolarHBondContact O-N 2.84Å; N266-L315 WeakPolarHBondContact CB-O 3.45Å; N266-L315 VanDerWaalsContact CG-O 3.25Å; N266-L315 WeakPolarHBondContact ND2-CB 3.47Å; N266-L315 PolarHBondContact ND2-O 3.22Å; N266-C319 PolarHBondContact ND2-O 3.42Å
267F30.5Very low42.2Very low142 Ų14248 Ų4862%0.62325%0.25SS*.  trans-58.593.9165.3-64.7-90.3000109.7I219 V265I219-F267 HydrophobicContact CD1-CD1 3.88Å; I219-F267 HydrophobicContact CD1-CE1 3.63Å; V265-F267 VanDerWaalsContact O-CD2 3.28Å; V265-F267 WeakPolarHBondContact O-CD2 3.41Å; V265-F267 PolarHBondContact O-N 3.22Å; V265-F267 VanDerWaalsContact O-N 3.09Å
268V36.3Very low42.6Very low25 Ų2556.1 Ų56.115%0.15228%0.28CS..  trans-98121.3162.2-168.60000106.6N266 E270 W273N266-V268 PolarHBondContact O-N 2.84Å; V268-E270 PolarHBondContact O-N 2.97Å; V268-W273 HydrophobicContact CG1-CB 3.75Å; V268-W273 HydrophobicContact CG1-CG 4.48Å
269D37.8Very low42.8Very low87 Ų8759.3 Ų59.347%0.46530%0.304SS..  trans-56110.2161.3172.52000106.8S271 L272 W273D269-S271 PolarHBondContact O-N 3.35Å; D269-S271 WeakPolarHBondContact OD1-CA 3.4Å; D269-S271 WeakPolarHBondContact OD1-CB 3.47Å; D269-S271 PolarHBondContact OD1-N 3Å; D269-S271 PolarHBondContact OD1-OG 3.04Å; D269-S271 PolarHBondContact OD2-OG 2.88Å; D269-L272 HydrophobicContact CB-CB 4.27Å; D269-L272 WeakPolarHBondContact O-CA 3.45Å; D269-L272 WeakPolarHBondContact O-CB 3.07Å; D269-L272 PolarHBondContact O-N 2.89Å; D269-W273 PolarHBondContact O-N 3.24Å; D269-W273 VanDerWaalsContact O-N 3.12Å
270E40.1Very low42.7Very low98 Ų9862.1 Ų62.146%0.45832%0.32SS..Hα-helixtrans-50.6-29178.5-80.8-162.6156.200111.3T220 V268 L272 W273 S274T220-E270 HydrophobicContact CG2-CG 4.36Å; T220-E270 VanDerWaalsContact CG2-OE2 3.31Å; T220-E270 WeakPolarHBondContact CG2-OE2 3.19Å; V268-E270 PolarHBondContact O-N 2.97Å; E270-L272 VanDerWaalsContact C-N 3.35Å; E270-L272 PolarHBondContact O-N 2.71Å; E270-W273 PolarHBondContact O-N 3.4Å; E270-S274 WeakPolarHBondContact O-CB 3.44Å; E270-S274 PolarHBondContact O-N 2.94Å; E270-S274 PolarHBondContact O-OG 2.79Å
271S39.8Very low42.4Very low52 Ų5270.1 Ų70.136%0.36435%0.347SS..Hα-helixtrans-62.4-41175.496.30000111.7D269 S274 Q275D269-S271 PolarHBondContact O-N 3.35Å; D269-S271 WeakPolarHBondContact OD1-CA 3.4Å; D269-S271 WeakPolarHBondContact OD1-CB 3.47Å; D269-S271 PolarHBondContact OD1-N 3Å; D269-S271 PolarHBondContact OD1-OG 3.04Å; D269-S271 PolarHBondContact OD2-OG 2.88Å; S271-S274 PolarHBondContact O-OG 2.92Å; S271-Q275 VanDerWaalsContact O-CG 3.3Å; S271-Q275 WeakPolarHBondContact O-CG 3.5Å; S271-Q275 PolarHBondContact O-N 3.42Å
272L38.7Very low41.9Very low92 Ų9274.6 Ų74.648%0.48238%0.377SS..Hα-helixtrans-70.2-43.4176.2-122118.1000111.2D269 E270 S274 Q275 V276D269-L272 HydrophobicContact CB-CB 4.27Å; D269-L272 WeakPolarHBondContact O-CA 3.45Å; D269-L272 WeakPolarHBondContact O-CB 3.07Å; D269-L272 PolarHBondContact O-N 2.89Å; E270-L272 VanDerWaalsContact C-N 3.35Å; E270-L272 PolarHBondContact O-N 2.71Å; L272-S274 VanDerWaalsContact C-N 3.34Å; L272-S274 PolarHBondContact O-N 3.37Å; L272-Q275 WeakPolarHBondContact O-CB 3.44Å; L272-Q275 PolarHBondContact O-N 2.78Å; L272-Q275 VanDerWaalsContact O-N 3.11Å; L272-V276 WeakPolarHBondContact O-CG2 3.21Å; L272-V276 PolarHBondContact O-N 3.47Å
273W43.7Very low41.1Very low24 Ų2482.3 Ų82.39%0.09141%0.409CS..Hα-helixtrans-61.7-43.7175.8-169.4-138000111.6L14 V268 D269 E270 Q275 V276 K277 Y318L14-W273 HydrophobicContact CD1-CH2 4.41Å; V268-W273 HydrophobicContact CG1-CB 3.75Å; V268-W273 HydrophobicContact CG1-CG 4.48Å; D269-W273 PolarHBondContact O-N 3.24Å; D269-W273 VanDerWaalsContact O-N 3.12Å; E270-W273 PolarHBondContact O-N 3.4Å; W273-Q275 VanDerWaalsContact C-N 3.26Å; W273-Q275 PolarHBondContact O-N 2.69Å; W273-V276 HydrophobicContact CE3-CB 4.22Å; W273-V276 HydrophobicContact CE3-CG1 4.36Å; W273-V276 HydrophobicContact CZ3-CB 4.39Å; W273-V276 HydrophobicContact CZ3-CG1 4.03Å; W273-V276 PolarHBondContact O-N 3.17Å; W273-K277 WeakPolarHBondContact O-CG 3.28Å; W273-K277 PolarHBondContact O-N 3.27Å; W273-Y318 WeakPolarHBondContact CH2-O 3.32Å; W273-Y318 WeakPolarHBondContact CZ3-O 3.36Å
274S45.4Very low40.6Very low43 Ų4390.9 Ų90.930%0.30145%0.447SS..Hα-helixtrans-62.3-33175.1830000112.3E270 S271 L272 R278E270-S274 WeakPolarHBondContact O-CB 3.44Å; E270-S274 PolarHBondContact O-N 2.94Å; E270-S274 PolarHBondContact O-OG 2.79Å; S271-S274 PolarHBondContact O-OG 2.92Å; L272-S274 VanDerWaalsContact C-N 3.34Å; L272-S274 PolarHBondContact O-N 3.37Å; S274-R278 WeakPolarHBondContact O-CB 3.46Å; S274-R278 VanDerWaalsContact O-CG 3.28Å; S274-R278 WeakPolarHBondContact O-CG 3.44Å; S274-R278 PolarHBondContact O-N 3.17Å
275Q45.5Very low40.2Very low112 Ų11294.2 Ų94.252%0.52348%0.482SS..Hα-helixtrans-68.6-46.3174.3-76.9175.732.200111.7S271 L272 W273 K277 R278 T279S271-Q275 VanDerWaalsContact O-CG 3.3Å; S271-Q275 WeakPolarHBondContact O-CG 3.5Å; S271-Q275 PolarHBondContact O-N 3.42Å; L272-Q275 WeakPolarHBondContact O-CB 3.44Å; L272-Q275 PolarHBondContact O-N 2.78Å; L272-Q275 VanDerWaalsContact O-N 3.11Å; W273-Q275 VanDerWaalsContact C-N 3.26Å; W273-Q275 PolarHBondContact O-N 2.69Å; Q275-K277 VanDerWaalsContact C-N 3.27Å; Q275-K277 PolarHBondContact O-N 3.1Å; Q275-R278 WeakPolarHBondContact O-CB 3.16Å; Q275-R278 PolarHBondContact O-N 2.82Å; Q275-R278 VanDerWaalsContact O-N 3.09Å; Q275-T279 PolarHBondContact O-N 3.07Å; Q275-T279 PolarHBondContact O-OG1 3.47Å
276V45.6Very low40Very low29 Ų2994.4 Ų94.418%0.17648%0.484CS..Hα-helixtrans-57.3-43.3174.2175.10000110.4L272 W273 T279 N280 Y318L272-V276 WeakPolarHBondContact O-CG2 3.21Å; L272-V276 PolarHBondContact O-N 3.47Å; W273-V276 HydrophobicContact CE3-CB 4.22Å; W273-V276 HydrophobicContact CE3-CG1 4.36Å; W273-V276 HydrophobicContact CZ3-CB 4.39Å; W273-V276 HydrophobicContact CZ3-CG1 4.03Å; W273-V276 PolarHBondContact O-N 3.17Å; V276-T279 WeakPolarHBondContact CA-OG1 3.26Å; V276-T279 PolarHBondContact O-N 3.34Å; V276-T279 PolarHBondContact O-OG1 3.07Å; V276-N280 PolarHBondContact O-N 2.61Å; V276-N280 PolarHBondContact O-ND2 3.16Å; V276-Y318 HydrophobicContact CG1-CD1 4.36Å; V276-Y318 HydrophobicContact CG2-CD1 4.07Å; V276-Y318 HydrophobicContact CG2-CE1 4.06Å
277K47.6Very low39.8Very low62 Ų62102.8 Ų102.827%0.2752%0.522SS..Hα-helixtrans-61-44.9173.3-70.4-173.7-175.2-169.20112.5E9 E41 W273 Q275 T279 N280 R281E9-K277 IonicContact OE1-NZ 2.61Å; E9-K277 IonicContact OE2-NZ 3.84Å; E9-K277 PolarHBondContact OE2-NZ 3.05Å; E41-K277 IonicContact OE2-NZ 3.99Å; E41-K277 PolarHBondContact OE2-NZ 3.38Å; W273-K277 WeakPolarHBondContact O-CG 3.28Å; W273-K277 PolarHBondContact O-N 3.27Å; Q275-K277 VanDerWaalsContact C-N 3.27Å; Q275-K277 PolarHBondContact O-N 3.1Å; K277-T279 VanDerWaalsContact C-N 3.35Å; K277-T279 PolarHBondContact O-N 3.05Å; K277-N280 PolarHBondContact O-N 3.25Å; K277-R281 PolarHBondContact O-N 3.16Å
278R47.4Very low40Very low176 Ų176100.2 Ų100.266%0.66451%0.511SS*.Hα-helixtrans-62.7-39.6178.4-79.1175.3-173.3-176.75.1112S274 Q275 N280 R281S274-R278 WeakPolarHBondContact O-CB 3.46Å; S274-R278 VanDerWaalsContact O-CG 3.28Å; S274-R278 WeakPolarHBondContact O-CG 3.44Å; S274-R278 PolarHBondContact O-N 3.17Å; Q275-R278 WeakPolarHBondContact O-CB 3.16Å; Q275-R278 PolarHBondContact O-N 2.82Å; Q275-R278 VanDerWaalsContact O-N 3.09Å; R278-N280 PolarHBondContact O-N 2.85Å; R278-R281 PolarHBondContact O-N 3.14Å
279T47.6Very low39.9Very low112 Ų112101.8 Ų101.869%0.68753%0.533SS*.Hα-helixtrans-67.2-25.2177.246.90000113.2Q275 V276 K277Q275-T279 PolarHBondContact O-N 3.07Å; Q275-T279 PolarHBondContact O-OG1 3.47Å; V276-T279 WeakPolarHBondContact CA-OG1 3.26Å; V276-T279 PolarHBondContact O-N 3.34Å; V276-T279 PolarHBondContact O-OG1 3.07Å; K277-T279 VanDerWaalsContact C-N 3.35Å; K277-T279 PolarHBondContact O-N 3.05Å
280N44.9Very low39.6Very low60 Ų60104.5 Ų104.532%0.32155%0.547SS..THydrogen-bonded Turntrans-88.1-2.9176.7-77.6-28.3000114.4V276 K277 R278V276-N280 PolarHBondContact O-N 2.61Å; V276-N280 PolarHBondContact O-ND2 3.16Å; K277-N280 PolarHBondContact O-N 3.25Å; R278-N280 PolarHBondContact O-N 2.85Å
281R39.6Very low39.2Very low189 Ų189104.5 Ų104.571%0.71355%0.549SS*.SBendtrans-63.6130.3173.8-75-172.2-179-169.30.5109.9K277 R278 K283K277-R281 PolarHBondContact O-N 3.16Å; R278-R281 PolarHBondContact O-N 3.14Å; R281-K283 PolarHBondContact O-N 3.37Å
282P36.2Very low38.9Very low94 Ų94104.8 Ų104.861%0.6155%0.549SS*.  trans-63.6112-176.321.6-28.1000110.3
283K33.8Very low38.9Very low192 Ų192103.6 Ų103.684%0.83554%0.543SS*.  trans-71.3126159.1-72.6-174.7178.91780107.4R281 G285R281-K283 PolarHBondContact O-N 3.37Å; K283-G285 PolarHBondContact O-N 3.38Å; K283-G285 VanDerWaalsContact O-N 3.16Å
284H35.4Very low38.5Very low198 Ų198107.3 Ų107.392%0.91756%0.564SS**THydrogen-bonded Turntrans-51.2120.1176.9-70.4-70.2000110.4
285G34.7Very low37.9Very low78 Ų78109.8 Ų109.880%0.80457%0.574SS**THydrogen-bonded Turntrans105.925.5158.600000118.9K283K283-G285 PolarHBondContact O-N 3.38Å; K283-G285 VanDerWaalsContact O-N 3.16Å
286T32.7Very low37.5Very low94 Ų94107.6 Ų107.658%0.57757%0.565SS**  trans-140.1122171.3-24.70000113.1H288T286-H288 PolarHBondContact O-N 2.96Å
287H33.3Very low37.2Very low199 Ų199110.2 Ų110.292%0.92158%0.575SS**  trans-65.389.7172.9-86.3-90.8000110.1
288H34.6Very low36.6Very low88 Ų88113.1 Ų113.141%0.40759%0.586SS.*  trans-111.56.7-173.7-95.9-52.7000115.6T286 L290 L291 V292T286-H288 PolarHBondContact O-N 2.96Å; H288-L290 VanDerWaalsContact C-N 3.3Å; H288-L290 PolarHBondContact O-N 2.93Å; H288-L290 VanDerWaalsContact O-N 3.15Å; H288-L291 PolarHBondContact O-N 3.42Å; H288-L291 VanDerWaalsContact O-N 3.13Å; H288-V292 HydrophobicContact CB-CG2 3.97Å; H288-V292 PolarHBondContact O-N 3.47Å
289G33.8Very low36.1Very low59 Ų59107.6 Ų107.661%0.60857%0.571SS**Hα-helixtrans-53.7-38.3-173.800000115.3L293G289-L293 WeakPolarHBondContact O-CD1 3.15Å
290L32.1Very low35.7Very low143 Ų143104 Ų10475%0.74955%0.547SS*.Hα-helixtrans-91-24.2179.5-83.8150.1000114.1H288 N294H288-L290 VanDerWaalsContact C-N 3.3Å; H288-L290 PolarHBondContact O-N 2.93Å; H288-L290 VanDerWaalsContact O-N 3.15Å; L290-N294 PolarHBondContact O-N 2.9Å; L290-N294 PolarHBondContact O-ND2 3.34Å
291L30.1Very low35.3Very low98 Ų98109.5 Ų109.551%0.51356%0.564SS.*Hα-helixtrans-82.5-34.6-176.6-115.1143.9000111.6H288 L295H288-L291 PolarHBondContact O-N 3.42Å; H288-L291 VanDerWaalsContact O-N 3.13Å; L291-L295 HydrophobicContact CD2-CD1 3.98Å; L291-L295 VanDerWaalsContact O-CB 3.3Å; L291-L295 WeakPolarHBondContact O-CB 3.2Å; L291-L295 PolarHBondContact O-N 3.11Å
292V34.6Very low35.2Very low59 Ų59109.3 Ų109.336%0.35856%0.563SS.*Hα-helixtrans-69.9-39.5176.2173.10000110.9H288 L295 L296H288-V292 HydrophobicContact CB-CG2 3.97Å; H288-V292 PolarHBondContact O-N 3.47Å; V292-L295 PolarHBondContact O-N 3.43Å; V292-L296 HydrophobicContact CG1-CD1 4.49Å; V292-L296 WeakPolarHBondContact O-CB 3.42Å; V292-L296 PolarHBondContact O-N 2.67Å
293L38.6Very low35.2Very low67 Ų67111 Ų11135%0.35156%0.563SS.*Hα-helixtrans-66.9-46177.1-69.9170.2000111.9N17 G289 L295 L296 E297N17-L293 HydrophobicContact CB-CD1 4.25Å; N17-L293 HydrophobicContact CB-CD2 4Å; G289-L293 WeakPolarHBondContact O-CD1 3.15Å; L293-L295 VanDerWaalsContact C-N 3.32Å; L293-L295 PolarHBondContact O-N 3.04Å; L293-L296 PolarHBondContact O-N 3.03Å; L293-E297 WeakPolarHBondContact O-CB 3.45Å; L293-E297 PolarHBondContact O-N 3.36Å
294N35.8Very low35.3Very low102 Ų102103.7 Ų103.755%0.54553%0.533SS..Hα-helixtrans-63.7-36.9174.5-80.6-34.7000112L290 Y298L290-N294 PolarHBondContact O-N 2.9Å; L290-N294 PolarHBondContact O-ND2 3.34Å; N294-Y298 WeakPolarHBondContact O-CA 3.45Å; N294-Y298 WeakPolarHBondContact O-CB 3.38Å; N294-Y298 PolarHBondContact O-N 2.82Å
295L32.7Very low36.1Very low95 Ų9599 Ų9950%0.49751%0.514SS..Hα-helixtrans-71.2-40.9175.4-99.5142.9000112.4L291 V292 L293 V299L291-L295 HydrophobicContact CD2-CD1 3.98Å; L291-L295 VanDerWaalsContact O-CB 3.3Å; L291-L295 WeakPolarHBondContact O-CB 3.2Å; L291-L295 PolarHBondContact O-N 3.11Å; V292-L295 PolarHBondContact O-N 3.43Å; L293-L295 VanDerWaalsContact C-N 3.32Å; L293-L295 PolarHBondContact O-N 3.04Å; L295-V299 HydrophobicContact CD2-CG2 4.38Å; L295-V299 WeakPolarHBondContact O-CB 3.3Å; L295-V299 WeakPolarHBondContact O-CG2 3.48Å; L295-V299 PolarHBondContact O-N 3.14Å
296L37.6Very low37.1Very low65 Ų65101.9 Ų101.934%0.3452%0.519SS..Hα-helixtrans-64.1-51.1176-130.392.4000109.4V292 L293 Y298 V299 L300V292-L296 HydrophobicContact CG1-CD1 4.49Å; V292-L296 WeakPolarHBondContact O-CB 3.42Å; V292-L296 PolarHBondContact O-N 2.67Å; L293-L296 PolarHBondContact O-N 3.03Å; L296-Y298 PolarHBondContact O-N 3.12Å; L296-V299 PolarHBondContact O-N 3.08Å; L296-L300 HydrophobicContact CB-CD1 4.45Å; L296-L300 HydrophobicContact CD2-CD1 4.2Å; L296-L300 HydrophobicContact CG-CD1 4.39Å; L296-L300 WeakPolarHBondContact O-CB 3.35Å; L296-L300 VanDerWaalsContact O-CD1 3.29Å; L296-L300 WeakPolarHBondContact O-CD1 3.35Å; L296-L300 WeakPolarHBondContact O-CG 3.39Å; L296-L300 PolarHBondContact O-N 3.32Å
297E38.5Very low38.3Very low85 Ų85101.8 Ų101.840%0.39753%0.528SS..Hα-helixtrans-62.2-40.4178.3-167.3-175.8177.400112.1L293 R301L293-E297 WeakPolarHBondContact O-CB 3.45Å; L293-E297 PolarHBondContact O-N 3.36Å; E297-R301 WeakPolarHBondContact O-CB 3.49Å; E297-R301 VanDerWaalsContact O-CG 3.26Å; E297-R301 WeakPolarHBondContact O-CG 3.35Å; E297-R301 PolarHBondContact O-N 3.31Å; E297-R301 IonicContact OE1-CZ 3.85Å; E297-R301 IonicContact OE1-NE 2.94Å; E297-R301 PolarHBondContact OE1-NE 3.03Å; E297-R301 IonicContact OE1-NH2 3.98Å; E297-R301 PolarHBondContact OE1-NH2 3.14Å
298Y35.6Very low38.8Very low123 Ų12394.7 Ų94.748%0.48250%0.495SS..Hα-helixtrans-69.6-39.2177-179-97.6000113N294 L296 R302N294-Y298 WeakPolarHBondContact O-CA 3.45Å; N294-Y298 WeakPolarHBondContact O-CB 3.38Å; N294-Y298 PolarHBondContact O-N 2.82Å; L296-Y298 PolarHBondContact O-N 3.12Å; Y298-R302 WeakPolarHBondContact O-CB 3.23Å; Y298-R302 PolarHBondContact O-N 3.36Å; Y298-R302 VanDerWaalsContact O-N 3.15Å; Y298-R302 PolarHBondContact OH-NE 3.35Å; Y298-R302 PolarHBondContact OH-NH1 3.22Å
299V35.3Very low39.6Very low60 Ų6094.7 Ų94.736%0.36450%0.498SS..Hα-helixtrans-69.9-42174.9170.60000110.1L295 L296 R302 Q303L295-V299 HydrophobicContact CD2-CG2 4.38Å; L295-V299 WeakPolarHBondContact O-CB 3.3Å; L295-V299 WeakPolarHBondContact O-CG2 3.48Å; L295-V299 PolarHBondContact O-N 3.14Å; L296-V299 PolarHBondContact O-N 3.08Å; V299-R302 PolarHBondContact O-N 2.95Å; V299-Q303 PolarHBondContact O-N 3.15Å
300L39.7Very low40.2Very low35 Ų3595.3 Ų95.318%0.18349%0.491CS..Hα-helixtrans-59.9-49175.4-74.5164.7000110.8L296 R302 L304 L314 Y318L296-L300 HydrophobicContact CB-CD1 4.45Å; L296-L300 HydrophobicContact CD2-CD1 4.2Å; L296-L300 HydrophobicContact CG-CD1 4.39Å; L296-L300 WeakPolarHBondContact O-CB 3.35Å; L296-L300 VanDerWaalsContact O-CD1 3.29Å; L296-L300 WeakPolarHBondContact O-CD1 3.35Å; L296-L300 WeakPolarHBondContact O-CG 3.39Å; L296-L300 PolarHBondContact O-N 3.32Å; L300-R302 PolarHBondContact O-N 3.24Å; L300-L304 VanDerWaalsContact O-CD1 3.32Å; L300-L304 WeakPolarHBondContact O-CD1 3.19Å; L300-L304 VanDerWaalsContact O-CG 3.25Å; L300-L304 WeakPolarHBondContact O-CG 3.31Å; L300-L314 HydrophobicContact CD1-CD1 4.23Å; L300-L314 HydrophobicContact CD2-CD1 4.43Å; L300-Y318 HydrophobicContact CD2-CD2 4.27Å; L300-Y318 HydrophobicContact CD2-CE2 3.67Å
301R37.5Very low40.7Very low176 Ų17690.1 Ų90.166%0.66446%0.463SS*.Hα-helixtrans-69.1-28.9-179.8-72.3178.2-174.8-140.15.2114.3E297E297-R301 WeakPolarHBondContact O-CB 3.49Å; E297-R301 VanDerWaalsContact O-CG 3.26Å; E297-R301 WeakPolarHBondContact O-CG 3.35Å; E297-R301 PolarHBondContact O-N 3.31Å; E297-R301 IonicContact OE1-CZ 3.85Å; E297-R301 IonicContact OE1-NE 2.94Å; E297-R301 PolarHBondContact OE1-NE 3.03Å; E297-R301 IonicContact OE1-NH2 3.98Å; E297-R301 PolarHBondContact OE1-NH2 3.14Å
302R36.8Very low41.6Very low185 Ų18590.8 Ų90.870%0.69846%0.463SS*.Hα-helixtrans-88-19.3-177.4-89.6-168.1159.6-168.7-3.5115Y298 V299 L300Y298-R302 WeakPolarHBondContact O-CB 3.23Å; Y298-R302 PolarHBondContact O-N 3.36Å; Y298-R302 VanDerWaalsContact O-N 3.15Å; Y298-R302 PolarHBondContact OH-NE 3.35Å; Y298-R302 PolarHBondContact OH-NH1 3.22Å; V299-R302 PolarHBondContact O-N 2.95Å; L300-R302 PolarHBondContact O-N 3.24Å
303Q37.1Very low42.1Very low130 Ų13089.6 Ų89.661%0.60745%0.452SS*.Hα-helixtrans-96.2-12.8178.8-67.4-144-8.100114V299 D305 R313V299-Q303 PolarHBondContact O-N 3.15Å; Q303-D305 PolarHBondContact O-N 3.17Å; Q303-R313 PolarHBondContact O-NH1 2.9Å
304L36Very low42.5Very low38 Ų3887 Ų8720%0.19944%0.439CS..SBendtrans-63.5129.5173.4-73.6161.8000110.6L300 E308 P310 R313L300-L304 VanDerWaalsContact O-CD1 3.32Å; L300-L304 WeakPolarHBondContact O-CD1 3.19Å; L300-L304 VanDerWaalsContact O-CG 3.25Å; L300-L304 WeakPolarHBondContact O-CG 3.31Å; L304-E308 HydrophobicContact CD2-CB 4.13Å; L304-E308 HydrophobicContact CD2-CG 4.14Å; L304-P310 HydrophobicContact CD1-CB 4.09Å; L304-P310 HydrophobicContact CD1-CG 3.92Å; L304-R313 HydrophobicContact CD2-CB 3.93Å; L304-R313 HydrophobicContact CD2-CG 4.34Å
305D51.8Low42.9Very low99 Ų9982.3 Ų82.353%0.52941%0.414SS..  trans-59.2135.7156.4-173.3-40000107.1Q303 A307 E308Q303-D305 PolarHBondContact O-N 3.17Å; D305-A307 PolarHBondContact O-N 2.64Å; D305-A307 PolarHBondContact OD1-N 3.2Å; D305-E308 HydrophobicContact CB-CB 4.11Å; D305-E308 WeakPolarHBondContact O-CB 3.36Å; D305-E308 PolarHBondContact O-N 2.87Å
306P54.4Low43.6Very low139 Ų13982.8 Ų82.890%0.90341%0.409SS*.THydrogen-bonded Turntrans-50.8-20.1174.7-27.633.6000115.2
307A58Low43.8Very low93 Ų9381.6 Ų81.677%0.76940%0.403SS*.THydrogen-bonded Turntrans-89.9-8.1175.900000114.7D305D305-A307 PolarHBondContact O-N 2.64Å; D305-A307 PolarHBondContact OD1-N 3.2Å
308E44Very low44.1Very low50 Ų5080.5 Ų80.523%0.23440%0.395CS..SBendtrans-93.5129.3-173.6-165.3174.6-151.900111.1L304 D305 R313 R316L304-E308 HydrophobicContact CD2-CB 4.13Å; L304-E308 HydrophobicContact CD2-CG 4.14Å; D305-E308 HydrophobicContact CB-CB 4.11Å; D305-E308 WeakPolarHBondContact O-CB 3.36Å; D305-E308 PolarHBondContact O-N 2.87Å; E308-R313 HydrophobicContact CG-CB 4.4Å; E308-R313 WeakPolarHBondContact OE2-CD 3.45Å; E308-R313 IonicContact OE2-CZ 2.96Å; E308-R313 IonicContact OE2-NE 3.67Å; E308-R313 IonicContact OE2-NH1 2.76Å; E308-R313 PolarHBondContact OE2-NH1 2.9Å; E308-R316 IonicContact OE1-CZ 2.68Å; E308-R316 IonicContact OE1-NH1 2.79Å; E308-R316 PolarHBondContact OE1-NH1 3.3Å; E308-R316 IonicContact OE1-NH2 3.99Å; E308-R316 PolarHBondContact OE1-NH2 3.35Å
309D51Low44.3Very low88 Ų8874.9 Ų74.947%0.47137%0.374SS..  trans-73.6127.6178.4-170.4-72.6000110.4F311 E312 R313D309-F311 PolarHBondContact O-N 3.44Å; D309-F311 WeakPolarHBondContact OD1-CA 3.15Å; D309-F311 WeakPolarHBondContact OD1-CB 3.46Å; D309-F311 PolarHBondContact OD1-N 2.94Å; D309-E312 HydrophobicContact CB-CB 4.24Å; D309-E312 HydrophobicContact CB-CG 4.08Å; D309-E312 PolarHBondContact O-N 3.33Å; D309-R313 PolarHBondContact O-N 2.87Å; D309-R313 VanDerWaalsContact O-N 3.11Å
310P46.7Very low44.7Very low72 Ų7273.2 Ų73.247%0.46837%0.365SS..Hα-helixtrans-56.9-31.5178.8-22.230.5000113.8L304 L314L304-P310 HydrophobicContact CD1-CB 4.09Å; L304-P310 HydrophobicContact CD1-CG 3.92Å; P310-L314 WeakPolarHBondContact O-CB 3.27Å; P310-L314 PolarHBondContact O-N 3.41Å
311F43.4Very low44.9Very low34 Ų3471.6 Ų71.615%0.14936%0.356CS..Hα-helixtrans-65.1-56.2174.8-178.1-96.8000110M1 F22 D309 R313 L314 L315M1-F311 HydrophobicContact CE-CD2 4.39Å; M1-F311 HydrophobicContact CE-CE2 3.54Å; M1-F311 HydrophobicContact CE-CZ 4.07Å; M1-F311 HydrophobicContact SD-CE2 4.24Å; M1-F311 HydrophobicContact SD-CZ 4.47Å; F22-F311 AromaticContact CE1-CD2 3.49Å; F22-F311 HydrophobicContact CE1-CD2 3.49Å; F22-F311 VanDerWaalsContact CE1-CD2 3.49Å; F22-F311 HydrophobicContact CE1-CE2 4.02Å; F22-F311 HydrophobicContact CZ-CB 4.04Å; F22-F311 AromaticContact CZ-CD2 3.51Å; F22-F311 HydrophobicContact CZ-CD2 3.51Å; F22-F311 HydrophobicContact CZ-CE2 4.46Å; F22-F311 HydrophobicContact CZ-CG 4.23Å; D309-F311 PolarHBondContact O-N 3.44Å; D309-F311 WeakPolarHBondContact OD1-CA 3.15Å; D309-F311 WeakPolarHBondContact OD1-CB 3.46Å; D309-F311 PolarHBondContact OD1-N 2.94Å; F311-R313 PolarHBondContact O-N 3.42Å; F311-L314 PolarHBondContact O-N 3.5Å; F311-L314 VanDerWaalsContact O-N 3.17Å; F311-L315 HydrophobicContact CD1-CD1 3.61Å; F311-L315 HydrophobicContact CD1-CG 4.08Å; F311-L315 HydrophobicContact CE1-CD1 3.17Å; F311-L315 HydrophobicContact CE1-CG 4.01Å; F311-L315 HydrophobicContact CE2-CD1 4.25Å; F311-L315 HydrophobicContact CE2-CG 4.41Å; F311-L315 HydrophobicContact CG-CD1 4.33Å; F311-L315 HydrophobicContact CG-CG 4.34Å; F311-L315 HydrophobicContact CZ-CD1 3.52Å; F311-L315 HydrophobicContact CZ-CD2 4.46Å; F311-L315 HydrophobicContact CZ-CG 4.16Å; F311-L315 WeakPolarHBondContact O-CB 3.38Å; F311-L315 WeakPolarHBondContact O-CG 3.32Å; F311-L315 PolarHBondContact O-N 3.37Å
312E49Very low45.9Very low112 Ų11263.9 Ų63.952%0.52333%0.328SS..Hα-helixtrans-56.2-38-179.6-70.7-63.5157.900112.1D309 R316D309-E312 HydrophobicContact CB-CB 4.24Å; D309-E312 HydrophobicContact CB-CG 4.08Å; D309-E312 PolarHBondContact O-N 3.33Å; E312-R316 VanDerWaalsContact O-CB 3.23Å; E312-R316 WeakPolarHBondContact O-CB 3.31Å; E312-R316 PolarHBondContact O-N 2.97Å
313R44.7Very low46.8Very low34 Ų3455.1 Ų55.113%0.12830%0.295CS..Hα-helixtrans-75.3-43.7176.6-175.7164.5-172.7172.3-12.5113.9Q303 L304 E308 D309 F311 L315 R316 D317Q303-R313 PolarHBondContact O-NH1 2.9Å; L304-R313 HydrophobicContact CD2-CB 3.93Å; L304-R313 HydrophobicContact CD2-CG 4.34Å; E308-R313 HydrophobicContact CG-CB 4.4Å; E308-R313 WeakPolarHBondContact OE2-CD 3.45Å; E308-R313 IonicContact OE2-CZ 2.96Å; E308-R313 IonicContact OE2-NE 3.67Å; E308-R313 IonicContact OE2-NH1 2.76Å; E308-R313 PolarHBondContact OE2-NH1 2.9Å; D309-R313 PolarHBondContact O-N 2.87Å; D309-R313 VanDerWaalsContact O-N 3.11Å; F311-R313 PolarHBondContact O-N 3.42Å; R313-L315 PolarHBondContact O-N 2.73Å; R313-R316 PolarHBondContact O-N 3.48Å; R313-D317 WeakPolarHBondContact CG-OD2 3.25Å; R313-D317 IonicContact CZ-OD2 3.81Å; R313-D317 IonicContact NE-OD2 3.47Å; R313-D317 PolarHBondContact NE-OD2 3.32Å; R313-D317 IonicContact NH2-OD2 3.68Å; R313-D317 VanDerWaalsContact O-CB 3.32Å; R313-D317 WeakPolarHBondContact O-CB 3.5Å; R313-D317 PolarHBondContact O-N 3.4Å
314L46.2Very low47.6Very low11 Ų1150.3 Ų50.36%0.05827%0.272CS..Hα-helixtrans-62.3-37.7177.9-169.1126.1000110.8L18 W19 F22 L300 P310 F311 Y318 C319L18-L314 HydrophobicContact CD1-CD1 4.2Å; W19-L314 HydrophobicContact CH2-CD2 3.67Å; W19-L314 HydrophobicContact CZ3-CD2 3.64Å; F22-L314 HydrophobicContact CE1-CD2 4.36Å; L300-L314 HydrophobicContact CD1-CD1 4.23Å; L300-L314 HydrophobicContact CD2-CD1 4.43Å; P310-L314 WeakPolarHBondContact O-CB 3.27Å; P310-L314 PolarHBondContact O-N 3.41Å; F311-L314 PolarHBondContact O-N 3.5Å; F311-L314 VanDerWaalsContact O-N 3.17Å; L314-Y318 WeakPolarHBondContact O-CB 3.36Å; L314-Y318 PolarHBondContact O-N 2.8Å; L314-Y318 VanDerWaalsContact O-N 3.09Å; L314-C319 PolarHBondContact O-N 2.87Å
315L46Very low48.6Very low5 Ų548.5 Ų48.53%0.02626%0.263CS..Hα-helixtrans-61.5-50.3170.7-75.7-158.6000112.4N266 F311 R313 C319 M321N266-L315 WeakPolarHBondContact CB-O 3.45Å; N266-L315 VanDerWaalsContact CG-O 3.25Å; N266-L315 WeakPolarHBondContact ND2-CB 3.47Å; N266-L315 PolarHBondContact ND2-O 3.22Å; F311-L315 HydrophobicContact CD1-CD1 3.61Å; F311-L315 HydrophobicContact CD1-CG 4.08Å; F311-L315 HydrophobicContact CE1-CD1 3.17Å; F311-L315 HydrophobicContact CE1-CG 4.01Å; F311-L315 HydrophobicContact CE2-CD1 4.25Å; F311-L315 HydrophobicContact CE2-CG 4.41Å; F311-L315 HydrophobicContact CG-CD1 4.33Å; F311-L315 HydrophobicContact CG-CG 4.34Å; F311-L315 HydrophobicContact CZ-CD1 3.52Å; F311-L315 HydrophobicContact CZ-CD2 4.46Å; F311-L315 HydrophobicContact CZ-CG 4.16Å; F311-L315 WeakPolarHBondContact O-CB 3.38Å; F311-L315 WeakPolarHBondContact O-CG 3.32Å; F311-L315 PolarHBondContact O-N 3.37Å; R313-L315 PolarHBondContact O-N 2.73Å; L315-C319 CarbonylContact O-C 3.51Å; L315-M321 HydrophobicContact CD1-CG 4.46Å; L315-M321 HydrophobicContact CD2-CE 4.39Å; L315-M321 HydrophobicContact CD2-CG 3.28Å; L315-M321 HydrophobicContact CD2-SD 3.84Å; L315-M321 HydrophobicContact CG-CG 4.42Å
316R45.9Very low49Very low105 Ų10545.4 Ų45.440%0.39625%0.247SC..Hα-helixtrans-67.4-43.7-179.3-175.3-173.865.5-140.7-0.1113.5E308 E312 R313E308-R316 IonicContact OE1-CZ 2.68Å; E308-R316 IonicContact OE1-NH1 2.79Å; E308-R316 PolarHBondContact OE1-NH1 3.3Å; E308-R316 IonicContact OE1-NH2 3.99Å; E308-R316 PolarHBondContact OE1-NH2 3.35Å; E312-R316 VanDerWaalsContact O-CB 3.23Å; E312-R316 WeakPolarHBondContact O-CB 3.31Å; E312-R316 PolarHBondContact O-N 2.97Å; R313-R316 PolarHBondContact O-N 3.48Å
317D42.7Very low48.9Very low40 Ų4038.9 Ų38.921%0.21421%0.205CC..Hα-helixtrans-92.3-25.1-166.6-66.1-1000112.7R313R313-D317 WeakPolarHBondContact CG-OD2 3.25Å; R313-D317 IonicContact CZ-OD2 3.81Å; R313-D317 IonicContact NE-OD2 3.47Å; R313-D317 PolarHBondContact NE-OD2 3.32Å; R313-D317 IonicContact NH2-OD2 3.68Å; R313-D317 VanDerWaalsContact O-CB 3.32Å; R313-D317 WeakPolarHBondContact O-CB 3.5Å; R313-D317 PolarHBondContact O-N 3.4Å
318Y43.6Very low48.2Very low61 Ų6138.1 Ų38.124%0.23919%0.188CC..Hα-helixtrans-136.50.7-165.2-56.7-76.4000115.9W273 V276 L300 L314W273-Y318 WeakPolarHBondContact CH2-O 3.32Å; W273-Y318 WeakPolarHBondContact CZ3-O 3.36Å; V276-Y318 HydrophobicContact CG1-CD1 4.36Å; V276-Y318 HydrophobicContact CG2-CD1 4.07Å; V276-Y318 HydrophobicContact CG2-CE1 4.06Å; L300-Y318 HydrophobicContact CD2-CD2 4.27Å; L300-Y318 HydrophobicContact CD2-CE2 3.67Å; L314-Y318 WeakPolarHBondContact O-CB 3.36Å; L314-Y318 PolarHBondContact O-N 2.8Å; L314-Y318 VanDerWaalsContact O-N 3.09Å
319C40.7Very low47.8Very low5 Ų540 Ų403%0.03420%0.204CC..  trans-163.4117.3170.2-1630000111.7W19 N266 L314 L315 M321W19-C319 HydrophobicContact CH2-CB 3.26Å; W19-C319 HydrophobicContact CZ2-CB 3.42Å; W19-C319 VanDerWaalsContact CZ2-CB 3.42Å; W19-C319 VanDerWaalsContact CZ2-SG 3.5Å; W19-C319 HydrophobicContact CZ3-CB 4.45Å; N266-C319 PolarHBondContact ND2-O 3.42Å; L314-C319 PolarHBondContact O-N 2.87Å; L315-C319 CarbonylContact O-C 3.51Å; C319-M321 PolarHBondContact O-N 3.28Å
320P44.5Very low47.1Very low26 Ų2641.7 Ų41.717%0.16921%0.208CC..  trans-60.9109.1159.228.3-29.4000106.9E322P320-E322 VanDerWaalsContact C-N 3.29Å; P320-E322 HydrophobicContact CB-CG 4.16Å; P320-E322 HydrophobicContact CG-CG 4.37Å; P320-E322 PolarHBondContact O-N 2.82Å
321M44.1Very low46.5Very low1 Ų141.5 Ų41.51%0.00521%0.208CC..  trans-73.496164.9-68.4-87.6-72.500105.3I5 L7 S264 L315 C319 A323 Q324I5-M321 HydrophobicContact CB-CE 4.03Å; I5-M321 HydrophobicContact CD1-CE 3.33Å; I5-M321 HydrophobicContact CG1-CE 3.53Å; I5-M321 HydrophobicContact CG2-CE 3.3Å; I5-M321 HydrophobicContact CG2-SD 3.81Å; L7-M321 HydrophobicContact CD1-SD 4.31Å; L7-M321 HydrophobicContact CD2-CB 4.33Å; L7-M321 HydrophobicContact CD2-CG 4.26Å; L7-M321 HydrophobicContact CD2-SD 3.51Å; L7-M321 VanDerWaalsContact CD2-SD 3.51Å; L7-M321 HydrophobicContact CG-SD 4.3Å; S264-M321 WeakPolarHBondContact CA-O 3.32Å; S264-M321 WeakPolarHBondContact CB-O 3.28Å; S264-M321 PolarHBondContact N-O 3.29Å; L315-M321 HydrophobicContact CD1-CG 4.46Å; L315-M321 HydrophobicContact CD2-CE 4.39Å; L315-M321 HydrophobicContact CD2-CG 3.28Å; L315-M321 HydrophobicContact CD2-SD 3.84Å; L315-M321 HydrophobicContact CG-CG 4.42Å; C319-M321 PolarHBondContact O-N 3.28Å; M321-A323 PolarHBondContact O-N 3.09Å; M321-Q324 HydrophobicContact CB-CG 4Å; M321-Q324 VanDerWaalsContact CB-NE2 3.29Å; M321-Q324 HydrophobicContact CE-CG 3.9Å
322E58.1Low46Very low13 Ų1345.3 Ų45.36%0.06124%0.239CC..  trans-69.9-32.6-166.1-69147.9159.900112.6Q8 D228 P263 S264 P320Q8-E322 VanDerWaalsContact CA-OE2 3.24Å; Q8-E322 WeakPolarHBondContact CA-OE2 3.37Å; Q8-E322 WeakPolarHBondContact CB-OE2 3.38Å; Q8-E322 WeakPolarHBondContact CG-OE2 3.3Å; Q8-E322 PolarHBondContact N-OE2 3.22Å; Q8-E322 PolarHBondContact NE2-OE2 3.45Å; Q8-E322 PolarHBondContact OE1-OE2 3.32Å; D228-E322 HydrophobicContact CB-CB 4.35Å; D228-E322 WeakPolarHBondContact OD1-CB 3.46Å; D228-E322 WeakPolarHBondContact OD1-CG 3.39Å; P263-E322 WeakPolarHBondContact CA-O 3.45Å; S264-E322 PolarHBondContact N-O 3.15Å; S264-E322 VanDerWaalsContact N-O 3.13Å; P320-E322 VanDerWaalsContact C-N 3.29Å; P320-E322 HydrophobicContact CB-CG 4.16Å; P320-E322 HydrophobicContact CG-CG 4.37Å; P320-E322 PolarHBondContact O-N 2.82Å
323A54.4Low45.3Very low1 Ų148.9 Ų48.91%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-143.1117.817400000112.8I5 C6 C161 V230 M321I5-A323 WeakPolarHBondContact CA-O 3.22Å; C6-A323 HydrophobicContact CB-CB 4.09Å; C6-A323 PolarHBondContact N-O 3.09Å; C6-A323 PolarHBondContact O-N 2.63Å; C161-A323 HydrophobicContact CB-CB 4.07Å; V230-A323 HydrophobicContact CG2-CB 3.38Å; M321-A323 PolarHBondContact O-N 3.09Å
324Q54.2Low44.7Very low30 Ų3051.6 Ų51.614%0.1428%0.282CS..EExtended strand (participates in β ladder)trans-115.3136172.8-64.4-166.338.300111A2 I5 V261 N262 M321A2-Q324 HydrophobicContact CB-CB 3.77Å; A2-Q324 HydrophobicContact CB-CG 4.27Å; I5-Q324 HydrophobicContact CG1-CG 4.32Å; V261-Q324 VanDerWaalsContact CA-O 3.3Å; V261-Q324 WeakPolarHBondContact CA-O 3.46Å; N262-Q324 HydrophobicContact CB-CB 4.27Å; N262-Q324 PolarHBondContact N-O 2.91Å; N262-Q324 PolarHBondContact O-N 3.46Å; M321-Q324 HydrophobicContact CB-CG 4Å; M321-Q324 VanDerWaalsContact CB-NE2 3.29Å; M321-Q324 HydrophobicContact CE-CG 3.9Å
325I57.5Low43.9Very low0 Ų055 Ų550%031%0.312CS..EExtended strand (participates in β ladder)trans-133.4115.9-174.8-51.4-178.7000109.1D3 L4 L159 V230 I259 T260D3-I325 CarbonylContact C-O 3.54Å; D3-I325 WeakPolarHBondContact CA-O 3.36Å; D3-I325 PolarHBondContact N-O 3.33Å; L4-I325 HydrophobicContact CB-CB 4.04Å; L4-I325 HydrophobicContact CD1-CB 4.47Å; L4-I325 HydrophobicContact CD1-CG2 4.34Å; L4-I325 PolarHBondContact N-O 3.07Å; L4-I325 PolarHBondContact O-N 3.48Å; L159-I325 HydrophobicContact CD1-CD1 3.79Å; L159-I325 HydrophobicContact CD1-CG2 4.44Å; L159-I325 HydrophobicContact CD2-CD1 4.42Å; V230-I325 HydrophobicContact CG1-CD1 3.71Å; V230-I325 HydrophobicContact CG1-CG1 4.33Å; I259-I325 HydrophobicContact CD1-CG2 4.37Å; I259-I325 HydrophobicContact CG2-CG2 3.25Å; T260-I325 CarbonylContact O-C 3.38Å; T260-I325 WeakPolarHBondContact O-CA 3.36Å
326T59.9Low43.1Very low33 Ų3365.2 Ų65.220%0.20235%0.35CS..EExtended strand (participates in β ladder)trans-103.7129.4174.6-52.60000109.7D3 I259 T260 L328D3-T326 WeakPolarHBondContact OD2-CG2 3.49Å; I259-T326 CarbonylContact C-O 3.58Å; I259-T326 WeakPolarHBondContact CA-O 3.35Å; T260-T326 PolarHBondContact N-O 3.49Å; T260-T326 PolarHBondContact O-N 3.29Å; T326-L328 HydrophobicContact CG2-CD2 4.02Å
327V52.2Low42.4Very low2 Ų268.3 Ų68.31%0.01238%0.375CS..EExtended strand (participates in β ladder)trans-105.3115178.3-176.40000109.9D3 K51 F52 F106 L257 Y258 I259D3-V327 HydrophobicContact CB-CG2 4.48Å; D3-V327 PolarHBondContact OD2-N 2.65Å; K51-V327 PolarHBondContact NZ-O 3.42Å; F52-V327 HydrophobicContact CZ-CB 4.4Å; F52-V327 HydrophobicContact CZ-CG2 3.79Å; F106-V327 HydrophobicContact CE1-CG1 4.09Å; F106-V327 HydrophobicContact CE2-CG1 4.11Å; F106-V327 HydrophobicContact CZ-CG1 3.67Å; L257-V327 HydrophobicContact CD1-CG1 3.69Å; L257-V327 HydrophobicContact CD2-CG1 3.58Å; L257-V327 HydrophobicContact CG-CG1 3.71Å; Y258-V327 CarbonylContact O-C 3.58Å; Y258-V327 WeakPolarHBondContact O-CA 3.48Å; I259-V327 HydrophobicContact CD1-CG2 4.24Å; I259-V327 HydrophobicContact CG1-CG2 4.08Å
328L43.4Very low42.2Very low78 Ų7875 Ų7541%0.40843%0.425SS..EExtended strand (participates in β ladder)trans-99.4132.5176.1-44.8168.4000110.5L257 Y258 T326L257-L328 VanDerWaalsContact CD1-O 3.26Å; L257-L328 WeakPolarHBondContact CD1-O 3.43Å; Y258-L328 PolarHBondContact N-O 2.95Å; Y258-L328 VanDerWaalsContact N-O 3.07Å; Y258-L328 PolarHBondContact O-N 3.35Å; T326-L328 HydrophobicContact CG2-CD2 4.02Å
329P36.8Very low42.1Very low89 Ų8975.7 Ų75.758%0.57843%0.434SS*.EExtended strand (participates in β ladder)trans-63.5154.6172.425.6-31.4000111.3S331P329-S331 PolarHBondContact O-N 2.84Å
330K35.5Very low42.2Very low124 Ų12479.4 Ų79.454%0.53946%0.455SS..PPolyproline II helixtrans-56.1127.2173.5-160.5175.1-174.8163.90109.9A255 S256 S332A255-K330 WeakPolarHBondContact O-CE 3.19Å; A255-K330 PolarHBondContact O-NZ 2.97Å; S256-K330 WeakPolarHBondContact O-CB 3.47Å; K330-S332 PolarHBondContact O-N 3.02Å
331S34.5Very low42.1Very low68 Ų6882.4 Ų82.448%0.47647%0.471SS..PPolyproline II helixtrans-65.1123.1170.693.50000109P329 K333P329-S331 PolarHBondContact O-N 2.84Å; S331-K333 PolarHBondContact O-N 3.32Å
332S32.4Very low41.9Very low114 Ų11487.2 Ų87.280%0.79750%0.498SS*.G310 helixtrans-71.70.3170.557.90000113K330K330-S332 PolarHBondContact O-N 3.02Å
333K33.3Very low40.9Very low186 Ų18691.8 Ų91.881%0.80953%0.526SS*.G310 helixtrans-83.5-5.9-178.4-89.3-175.6174.31800115.2S331 A335S331-K333 PolarHBondContact O-N 3.32Å; K333-A335 VanDerWaalsContact C-N 3.26Å; K333-A335 PolarHBondContact O-N 3.23Å
334A32.1Very low40Very low91 Ų9197.9 Ų97.975%0.75256%0.56SS**G310 helixtrans-82.45.3173.900000114.3
335A30.1Very low39Very low84 Ų84102.7 Ų102.769%0.69459%0.59SS**G310 helixtrans-110.416.7177.100000113.9K333K333-A335 VanDerWaalsContact C-N 3.26Å; K333-A335 PolarHBondContact O-N 3.23Å
336R28.9Very low37.6Very low219 Ų219110.6 Ų110.683%0.82664%0.636SS**SBendtrans-130.265.9169.5-71.9-171.8-178.8-179.10.7109.7
337D31.4Very low35.7Very low170 Ų170117.1 Ų117.191%0.90967%0.672SS**  trans-158.271.1154.5-85.4-29.2000107.5
338S38.3Very low34.2Very low180 Ų180127.5 Ų127.5100%1.25973%0.732SS**  trans-149.80158.165.80000106.4

Retrieved 338 of 338 residues in 197.4 ms (Link to these results)

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