A0A077Z6K2_TRITR Loading...

Abhydrolase 5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6K2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 544 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
1M59.8Low78.9Confident191 Ų191104.6 Ų104.694%0.94157%0.565SS**  0-55.70-156.9171.5-179.400112.6S3 T4 I5M1-S3 PolarHBondContact O-N 3.35Å; M1-T4 PolarHBondContact O-N 2.91Å; M1-I5 HydrophobicContact CG-CD1 4.02Å; M1-I5 WeakPolarHBondContact O-CG1 3.39Å; M1-I5 PolarHBondContact O-N 3.07Å; M1-I5 VanDerWaalsContact O-N 3.14Å
2M68.2Low79.9Confident163 Ų16397.9 Ų97.980%0.80354%0.538SS*.Hα-helixtrans-55.8-47.9179.7-81.7-178.6172.200114.3T4 I5 T6M2-T4 VanDerWaalsContact C-N 3.32Å; M2-T4 PolarHBondContact O-N 3.05Å; M2-I5 PolarHBondContact O-N 3.12Å; M2-T6 PolarHBondContact O-N 3.13Å; M2-T6 PolarHBondContact O-OG1 2.71Å
3S75.2Confident80.8Confident100 Ų10094.3 Ų94.370%0.69953%0.529SS*.Hα-helixtrans-56.9-42.1179176.20000113.1M1 T6 S7M1-S3 PolarHBondContact O-N 3.35Å; S3-T6 PolarHBondContact O-N 3.39Å; S3-S7 WeakPolarHBondContact O-CB 3.28Å; S3-S7 PolarHBondContact O-N 2.74Å
4T76.6Confident81.6Confident94 Ų9489.5 Ų89.558%0.57750%0.502SS*.Hα-helixtrans-64.9-46.2177.4-44.50000111.5M1 M2 T6 S7 V8M1-T4 PolarHBondContact O-N 2.91Å; M2-T4 VanDerWaalsContact C-N 3.32Å; M2-T4 PolarHBondContact O-N 3.05Å; T4-T6 PolarHBondContact O-N 3.44Å; T4-S7 PolarHBondContact O-N 2.8Å; T4-V8 WeakPolarHBondContact O-CG2 3.47Å; T4-V8 PolarHBondContact O-N 3.22Å
5I78.6Confident82.4Confident85 Ų8583.6 Ų83.644%0.43647%0.469SS..Hα-helixtrans-61.2-46.7177.9-65.9169.2000110.2M1 M2 S7 V8 L9M1-I5 HydrophobicContact CG-CD1 4.02Å; M1-I5 WeakPolarHBondContact O-CG1 3.39Å; M1-I5 PolarHBondContact O-N 3.07Å; M1-I5 VanDerWaalsContact O-N 3.14Å; M2-I5 PolarHBondContact O-N 3.12Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.15Å; I5-V8 PolarHBondContact O-N 3.37Å; I5-L9 HydrophobicContact CG2-CD1 3.85Å; I5-L9 HydrophobicContact CG2-CG 4.31Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 WeakPolarHBondContact O-CG 3.27Å; I5-L9 PolarHBondContact O-N 3.13Å
6T81.4Confident83Confident68 Ų6882.8 Ų82.842%0.41746%0.459SS..Hα-helixtrans-60.5-40.2177.7-54.30000112M2 S3 T4 K10M2-T6 PolarHBondContact O-N 3.13Å; M2-T6 PolarHBondContact O-OG1 2.71Å; S3-T6 PolarHBondContact O-N 3.39Å; T4-T6 PolarHBondContact O-N 3.44Å; T6-K10 HydrophobicContact CG2-CD 4.28Å; T6-K10 WeakPolarHBondContact O-CB 3.46Å; T6-K10 VanDerWaalsContact O-CG 3.29Å; T6-K10 WeakPolarHBondContact O-CG 3.38Å; T6-K10 PolarHBondContact O-N 3.02Å
7S81.3Confident83.4Confident43 Ų4382.7 Ų82.730%0.30146%0.461SS..Hα-helixtrans-63.9-45.8176.6-176.30000112.1S3 T4 I5 K10 K11S3-S7 WeakPolarHBondContact O-CB 3.28Å; S3-S7 PolarHBondContact O-N 2.74Å; T4-S7 PolarHBondContact O-N 2.8Å; I5-S7 VanDerWaalsContact C-N 3.31Å; I5-S7 PolarHBondContact O-N 3.15Å; S7-K10 PolarHBondContact O-N 2.95Å; S7-K11 WeakPolarHBondContact O-CG 3.41Å; S7-K11 PolarHBondContact O-N 3.31Å
8V85.5Confident83.8Confident96 Ų9678.2 Ų78.258%0.58244%0.436SS*.Hα-helixtrans-62.3-45177.2173.10000111.1T4 I5 K10 K11 G12T4-V8 WeakPolarHBondContact O-CG2 3.47Å; T4-V8 PolarHBondContact O-N 3.22Å; I5-V8 PolarHBondContact O-N 3.37Å; V8-K10 PolarHBondContact O-N 3.28Å; V8-K11 PolarHBondContact O-N 2.78Å; V8-G12 PolarHBondContact O-N 2.69Å
9L87.1Confident84.4Confident119 Ų11974.1 Ų74.162%0.62341%0.414SS*.Hα-helixtrans-62.6-41.6177.4-71173.8000112.2I5 G12 A13I5-L9 HydrophobicContact CG2-CD1 3.85Å; I5-L9 HydrophobicContact CG2-CG 4.31Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 WeakPolarHBondContact O-CG 3.27Å; I5-L9 PolarHBondContact O-N 3.13Å; L9-G12 PolarHBondContact O-N 3.14Å; L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 3.46Å
10K86.1Confident84.8Confident133 Ų13372 Ų7258%0.57840%0.4SS*.Hα-helixtrans-62.5-45.5175.9-77.8178.2177.7-175.10112.2T6 S7 V8 A13 L14T6-K10 HydrophobicContact CG2-CD 4.28Å; T6-K10 WeakPolarHBondContact O-CB 3.46Å; T6-K10 VanDerWaalsContact O-CG 3.29Å; T6-K10 WeakPolarHBondContact O-CG 3.38Å; T6-K10 PolarHBondContact O-N 3.02Å; S7-K10 PolarHBondContact O-N 2.95Å; V8-K10 PolarHBondContact O-N 3.28Å; K10-A13 PolarHBondContact O-N 3.23Å; K10-L14 WeakPolarHBondContact O-CG 3.32Å; K10-L14 PolarHBondContact O-N 2.91Å
11K87.7Confident85.3Confident59 Ų5968.6 Ų68.626%0.25738%0.382SS..Hα-helixtrans-63.4-42.9175.7-70.8-179-176.8-168.70111.4S7 V8 A13 L14 A15 L113 N114 S117S7-K11 WeakPolarHBondContact O-CG 3.41Å; S7-K11 PolarHBondContact O-N 3.31Å; V8-K11 PolarHBondContact O-N 2.78Å; K11-A13 VanDerWaalsContact C-N 3.35Å; K11-A13 PolarHBondContact O-N 3.11Å; K11-L14 PolarHBondContact O-N 2.94Å; K11-A15 PolarHBondContact O-N 2.69Å; K11-L113 HydrophobicContact CB-CD2 4.32Å; K11-N114 PolarHBondContact NZ-OD1 2.99Å; K11-S117 VanDerWaalsContact CE-OG 3.24Å; K11-S117 WeakPolarHBondContact CE-OG 3.36Å
12G91.7Very high86.9Confident24 Ų2464.7 Ų64.725%0.24736%0.357CS..Hα-helixtrans-58.7-45.8175.300000112.2V8 L9 A15 F16V8-G12 PolarHBondContact O-N 2.69Å; L9-G12 PolarHBondContact O-N 3.14Å; G12-A15 PolarHBondContact O-N 3.41Å; G12-F16 WeakPolarHBondContact O-CB 3.49Å; G12-F16 PolarHBondContact O-N 3.21Å
13A91.2Very high88.2Confident51 Ų5157 Ų5742%0.42132%0.319SS..Hα-helixtrans-61.4-44.2175.300000112.1L9 K10 K11 A15 F16 T17L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 3.46Å; K10-A13 PolarHBondContact O-N 3.23Å; K11-A13 VanDerWaalsContact C-N 3.35Å; K11-A13 PolarHBondContact O-N 3.11Å; A13-A15 PolarHBondContact O-N 2.93Å; A13-F16 PolarHBondContact O-N 3.27Å; A13-F16 VanDerWaalsContact O-N 3.17Å; A13-T17 PolarHBondContact O-N 2.88Å; A13-T17 PolarHBondContact O-OG1 3.47Å; A13-T17 VanDerWaalsContact O-OG1 3.09Å
14L92.4Very high89.1Confident27 Ų2754.1 Ų54.114%0.14130%0.299CS..Hα-helixtrans-65.5-35.6175.8-74.1171.7000112.8K10 K11 F16 G18 L113 L120K10-L14 WeakPolarHBondContact O-CG 3.32Å; K10-L14 PolarHBondContact O-N 2.91Å; K11-L14 PolarHBondContact O-N 2.94Å; L14-F16 VanDerWaalsContact C-N 3.3Å; L14-F16 PolarHBondContact O-N 3.37Å; L14-G18 WeakPolarHBondContact O-CA 3.18Å; L14-G18 PolarHBondContact O-N 2.9Å; L14-L113 HydrophobicContact CB-CD1 3.41Å; L14-L113 VanDerWaalsContact CB-CD1 3.41Å; L14-L113 HydrophobicContact CD1-CD1 4.25Å; L14-L113 HydrophobicContact CG-CD1 4.47Å; L14-L120 HydrophobicContact CD1-CD1 4.1Å; L14-L120 HydrophobicContact CD2-CD1 4.31Å
15A92.8Very high89.9Confident1 Ų150.3 Ų50.31%0.00827%0.274CS..Hα-helixtrans-66.2-35.6172.600000111.8K11 G12 A13 F100 R103 V104 L113K11-A15 PolarHBondContact O-N 2.69Å; G12-A15 PolarHBondContact O-N 3.41Å; A13-A15 PolarHBondContact O-N 2.93Å; A15-F100 HydrophobicContact CB-CD2 3.74Å; A15-F100 HydrophobicContact CB-CE2 3.86Å; A15-R103 WeakPolarHBondContact O-CD 3.02Å; A15-R103 PolarHBondContact O-NH1 2.92Å; A15-V104 HydrophobicContact CB-CG1 4.15Å; A15-L113 HydrophobicContact CB-CD2 3.99Å
16F92.8Very high90.4Very high71 Ų7157 Ų5731%0.31129%0.294SS..Hα-helixtrans-76.1-57.2-177.4-168.7-101.4000112.4G12 A13 L14 Y96 V97 R99 F100G12-F16 WeakPolarHBondContact O-CB 3.49Å; G12-F16 PolarHBondContact O-N 3.21Å; A13-F16 PolarHBondContact O-N 3.27Å; A13-F16 VanDerWaalsContact O-N 3.17Å; L14-F16 VanDerWaalsContact C-N 3.3Å; L14-F16 PolarHBondContact O-N 3.37Å; F16-Y96 HydrophobicContact CD1-CD1 4.41Å; F16-Y96 HydrophobicContact CE1-CD1 4.18Å; F16-Y96 HydrophobicContact CE1-CG 4.18Å; F16-Y96 HydrophobicContact CZ-CD1 4.47Å; F16-Y96 HydrophobicContact CZ-CG 4.1Å; F16-V97 HydrophobicContact CE2-CG2 4.29Å; F16-R99 PolarHBondContact O-NE 3.42Å; F16-F100 HydrophobicContact CB-CD2 3.98Å; F16-F100 HydrophobicContact CD2-CB 3.8Å; F16-F100 HydrophobicContact CD2-CD2 4.29Å; F16-F100 HydrophobicContact CD2-CG 4.19Å
17T90Very high90.8Very high81 Ų8156.9 Ų56.950%0.49729%0.291SS..Hα-helixtrans-110.9-9.4-176.653.70000114.6A13 Y96A13-T17 PolarHBondContact O-N 2.88Å; A13-T17 PolarHBondContact O-OG1 3.47Å; A13-T17 VanDerWaalsContact O-OG1 3.09Å; T17-Y96 HydrophobicContact CG2-CD1 4.5Å; T17-Y96 HydrophobicContact CG2-CE1 4.25Å
18G90.9Very high91.1Very high1 Ų158.9 Ų58.91%0.0129%0.291CS..SBendtrans-75.6-171.1-173.900000114.2L14 R99 R103L14-G18 WeakPolarHBondContact O-CA 3.18Å; L14-G18 PolarHBondContact O-N 2.9Å; G18-R99 PolarHBondContact O-NH2 3.25Å; G18-R103 PolarHBondContact O-NH1 3.44Å
19P93.6Very high91Very high1 Ų162.1 Ų62.11%0.00631%0.305CS..PPolyproline II helixtrans-68.1154.8-158.325.9-32.9000113.5R103 Y109 F112 L116 Y136 D137 H140P19-R103 PolarHBondContact O-NH1 3.47Å; P19-R103 PolarHBondContact O-NH2 3.47Å; P19-Y109 PolarHBondContact O-OH 3.33Å; P19-F112 HydrophobicContact CB-CZ 4.48Å; P19-F112 HydrophobicContact CG-CE1 3.93Å; P19-F112 HydrophobicContact CG-CZ 3.72Å; P19-L116 HydrophobicContact CG-CD2 3.45Å; P19-L116 VanDerWaalsContact CG-CD2 3.45Å; P19-Y136 HydrophobicContact CB-CD2 4.01Å; P19-Y136 HydrophobicContact CG-CD2 4.12Å; P19-D137 HydrophobicContact CB-CB 3.79Å; P19-H140 HydrophobicContact CB-CB 3.84Å; P19-H140 HydrophobicContact CG-CB 3.74Å
20Q92.9Very high91.1Very high31 Ų3158.9 Ų58.915%0.14529%0.29CS..PPolyproline II helixtrans-75131.1164.9-17559.733.200109.5Y22 D45 Y136 D137Q20-Y22 HydrophobicContact CB-CE1 3.92Å; Q20-Y22 HydrophobicContact CG-CD1 3.85Å; Q20-Y22 HydrophobicContact CG-CE1 3.44Å; Q20-Y22 VanDerWaalsContact CG-CE1 3.44Å; Q20-D45 PolarHBondContact OE1-OD2 2.97Å; Q20-D45 VanDerWaalsContact OE1-OD2 3.1Å; Q20-Y136 CarbonylContact O-C 3.52Å; Q20-Y136 WeakPolarHBondContact O-CA 3.19Å; Q20-Y136 VanDerWaalsContact O-CB 3.23Å; Q20-Y136 WeakPolarHBondContact O-CB 3.17Å; Q20-D137 PolarHBondContact O-N 3.48Å
21L95.3Very high91.3Very high2 Ų255.5 Ų55.51%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-88.4128.3167.3-17765.2000108.5G23 Y35 Y109 F112 Y134L21-G23 WeakPolarHBondContact CD1-O 3.32Å; L21-Y35 HydrophobicContact CB-CD1 4.15Å; L21-Y35 HydrophobicContact CB-CG 4.23Å; L21-Y35 HydrophobicContact CD2-CD1 4.48Å; L21-Y35 HydrophobicContact CD2-CD2 3.67Å; L21-Y35 HydrophobicContact CD2-CE2 4.16Å; L21-Y35 HydrophobicContact CD2-CG 3.86Å; L21-Y35 HydrophobicContact CG-CD1 4.4Å; L21-Y35 HydrophobicContact CG-CD2 4.3Å; L21-Y35 HydrophobicContact CG-CG 3.97Å; L21-Y35 VanDerWaalsContact O-CD1 3.27Å; L21-Y35 WeakPolarHBondContact O-CD1 3.36Å; L21-Y109 HydrophobicContact CB-CD2 3.89Å; L21-Y109 HydrophobicContact CB-CE2 3.99Å; L21-Y109 HydrophobicContact CD2-CD2 4.35Å; L21-F112 HydrophobicContact CB-CD1 4.2Å; L21-F112 HydrophobicContact CB-CE1 4.32Å; L21-F112 HydrophobicContact CD1-CB 4.31Å; L21-F112 HydrophobicContact CD1-CD1 4.17Å; L21-F112 HydrophobicContact CD1-CD2 3.94Å; L21-F112 HydrophobicContact CD1-CE1 4.48Å; L21-F112 HydrophobicContact CD1-CE2 4.26Å; L21-F112 HydrophobicContact CD1-CG 3.87Å; L21-F112 HydrophobicContact CD2-CB 3.95Å; L21-F112 HydrophobicContact CD2-CD1 4.26Å; L21-F112 HydrophobicContact CD2-CG 4.17Å; L21-F112 HydrophobicContact CG-CD1 4.45Å; L21-F112 HydrophobicContact CG-CG 4.48Å; L21-Y134 HydrophobicContact CD1-CD1 4.04Å
22Y93.8Very high91.5Very high109 Ų10953.8 Ų53.843%0.42728%0.28SS..EExtended strand (participates in β ladder)trans-102.5-35.6177.8-55.4-59.6000111.6Q20 N34 Y35 D135 Y136Q20-Y22 HydrophobicContact CB-CE1 3.92Å; Q20-Y22 HydrophobicContact CG-CD1 3.85Å; Q20-Y22 HydrophobicContact CG-CE1 3.44Å; Q20-Y22 VanDerWaalsContact CG-CE1 3.44Å; Y22-N34 WeakPolarHBondContact O-CA 3.44Å; Y22-Y35 WeakPolarHBondContact O-CB 3.34Å; Y22-Y35 PolarHBondContact O-N 3Å; Y22-D135 WeakPolarHBondContact CA-O 3.43Å; Y22-D135 WeakPolarHBondContact CB-O 3.42Å; Y22-D135 PolarHBondContact N-O 2.6Å; Y22-Y136 VanDerWaalsContact CE2-C 3.46Å
23G94.5Very high91.6Very high0 Ų057.6 Ų57.60%030%0.297CS..EExtended strand (participates in β ladder)trans-170.4171.4179.900000113.6L21 V33 D135L21-G23 WeakPolarHBondContact CD1-O 3.32Å; G23-V33 CarbonylContact C-O 3.56Å; G23-V33 WeakPolarHBondContact CA-O 3.4Å; G23-D135 PolarHBondContact N-O 3Å; G23-D135 PolarHBondContact O-N 3.19Å
24S95.1Very high91.7Very high41 Ų4160.8 Ų60.829%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-145.5152.2174.762.20000110.7V33 L133S24-V33 PolarHBondContact N-O 3.1Å; S24-V33 PolarHBondContact O-N 3.19Å; S24-L133 CarbonylContact C-O 3.53Å; S24-L133 VanDerWaalsContact CA-O 3.28Å; S24-L133 WeakPolarHBondContact CA-O 3.36Å
25R93Very high91.8Very high14 Ų1461 Ų615%0.05331%0.307CS..  trans-128.3153.7177.161.1-177.1177.4175.1-4.3111N27 R28 T30 F32 Q132 L133 L238R25-N27 VanDerWaalsContact CD-O 3.26Å; R25-N27 WeakPolarHBondContact CD-O 3.48Å; R25-N27 WeakPolarHBondContact CG-O 3.49Å; R25-R28 PolarHBondContact NH1-O 2.83Å; R25-T30 WeakPolarHBondContact CD-O 3.41Å; R25-F32 HydrophobicContact CB-CD1 4.05Å; R25-F32 HydrophobicContact CB-CE1 4.34Å; R25-F32 HydrophobicContact CB-CG 4.48Å; R25-F32 HydrophobicContact CG-CD1 3.98Å; R25-F32 HydrophobicContact CG-CE1 3.74Å; R25-F32 HydrophobicContact CG-CZ 4.19Å; R25-Q132 PolarHBondContact NE-O 2.85Å; R25-Q132 PolarHBondContact NH2-O 3.44Å; R25-L133 HydrophobicContact CG-CB 4.48Å; R25-L133 HydrophobicContact CG-CD2 4.2Å; R25-L133 PolarHBondContact N-O 3.23Å; R25-L238 PolarHBondContact NH1-O 2.93Å
26R90.6Very high91.9Very high226 Ų22669.9 Ų69.985%0.85335%0.345SS*.SBendtrans-72.1-40-178-176.4178.8178.1-176-0.4111.7T30R26-T30 PolarHBondContact N-OG1 3.42Å
27N89.7Confident91.9Very high64 Ų6471.8 Ų71.834%0.34235%0.353SS..SBendtrans-150.5177.2176.964.250.2000109.5R25 L29 T30R25-N27 VanDerWaalsContact CD-O 3.26Å; R25-N27 WeakPolarHBondContact CD-O 3.48Å; R25-N27 WeakPolarHBondContact CG-O 3.49Å; N27-L29 PolarHBondContact O-N 3.33Å; N27-L29 WeakPolarHBondContact OD1-CA 3.5Å; N27-L29 WeakPolarHBondContact OD1-CB 3.34Å; N27-L29 PolarHBondContact OD1-N 2.82Å; N27-T30 PolarHBondContact N-OG1 3.37Å; N27-T30 PolarHBondContact O-N 3.29Å; N27-T30 PolarHBondContact O-OG1 3.44Å; N27-T30 PolarHBondContact OD1-N 3.28Å; N27-T30 VanDerWaalsContact OD1-N 3.12Å
28R86.5Confident92.1Very high85 Ų8570 Ų7032%0.32135%0.351SS..THydrogen-bonded Turntrans-69.4-14.4-177.7-71.4-172.259.5175.5-5115.3R25 Q132 G242 G243 S244R25-R28 PolarHBondContact NH1-O 2.83Å; R28-Q132 VanDerWaalsContact NH1-OE1 3.14Å; R28-G242 PolarHBondContact NH2-O 3.45Å; R28-G243 PolarHBondContact NH2-O 2.92Å; R28-S244 PolarHBondContact NH1-OG 3.04Å; R28-S244 PolarHBondContact NH2-OG 2.9Å
29L83.1Confident92.3Very high165 Ų16576.8 Ų76.886%0.86439%0.386SS*.THydrogen-bonded Turntrans-92.6-12.5179.7-56174.2000112.5N27N27-L29 PolarHBondContact O-N 3.33Å; N27-L29 WeakPolarHBondContact OD1-CA 3.5Å; N27-L29 WeakPolarHBondContact OD1-CB 3.34Å; N27-L29 PolarHBondContact OD1-N 2.82Å
30T89.2Confident92.5Very high50 Ų5079.7 Ų79.731%0.30740%0.403SS..SBendtrans-96.9141.4178.553.60000111R25 R26 N27R25-T30 WeakPolarHBondContact CD-O 3.41Å; R26-T30 PolarHBondContact N-OG1 3.42Å; N27-T30 PolarHBondContact N-OG1 3.37Å; N27-T30 PolarHBondContact O-N 3.29Å; N27-T30 PolarHBondContact O-OG1 3.44Å; N27-T30 PolarHBondContact OD1-N 3.28Å; N27-T30 VanDerWaalsContact OD1-N 3.12Å
31A90.3Very high92.6Very high62 Ų6278.2 Ų78.251%0.51240%0.396SS..PPolyproline II helixtrans-59.9156.3169.300000112
32F91.4Very high92.6Very high24 Ų2479 Ų7911%0.10541%0.405CS..PPolyproline II helixtrans-68.1132.3174.9-74-80000111R25 D135 L238 E239R25-F32 HydrophobicContact CB-CD1 4.05Å; R25-F32 HydrophobicContact CB-CE1 4.34Å; R25-F32 HydrophobicContact CB-CG 4.48Å; R25-F32 HydrophobicContact CG-CD1 3.98Å; R25-F32 HydrophobicContact CG-CE1 3.74Å; R25-F32 HydrophobicContact CG-CZ 4.19Å; F32-D135 HydrophobicContact CD1-CB 3.93Å; F32-D135 HydrophobicContact CE1-CB 3.9Å; F32-D135 HydrophobicContact CG-CB 4.31Å; F32-D135 HydrophobicContact CZ-CB 4.25Å; F32-L238 HydrophobicContact CE2-CB 4.33Å; F32-L238 HydrophobicContact CE2-CD1 4.3Å; F32-E239 WeakPolarHBondContact CB-OE1 3.33Å; F32-E239 HydrophobicContact CD2-CG 3.88Å; F32-E239 VanDerWaalsContact CD2-OE1 3.24Å; F32-E239 WeakPolarHBondContact CD2-OE1 3.46Å; F32-E239 HydrophobicContact CE2-CG 4.29Å; F32-E239 PolarHBondContact N-OE1 3.02Å
33V93.7Very high92.7Very high103 Ų10378 Ų7862%0.62441%0.406SS*.EExtended strand (participates in β ladder)trans-90.4119.9166.2-178.10000107.6G23 S24 Y35G23-V33 CarbonylContact C-O 3.56Å; G23-V33 WeakPolarHBondContact CA-O 3.4Å; S24-V33 PolarHBondContact N-O 3.1Å; S24-V33 PolarHBondContact O-N 3.19Å; V33-Y35 PolarHBondContact O-N 3.24Å
34N94.3Very high92.8Very high118 Ų11878 Ų7863%0.63141%0.406SS*.EExtended strand (participates in β ladder)trans-57.4134.1179.5-70.2-20.8000111.6Y22 K36Y22-N34 WeakPolarHBondContact O-CA 3.44Å; N34-K36 PolarHBondContact O-N 3.2Å
35Y95.5Very high92.7Very high31 Ų3176.8 Ų76.812%0.12240%0.396CS..PPolyproline II helixtrans-69.8121.3175174.9-113.1000110.2L21 Y22 V33 K37 E41 S106 A108 Y109L21-Y35 HydrophobicContact CB-CD1 4.15Å; L21-Y35 HydrophobicContact CB-CG 4.23Å; L21-Y35 HydrophobicContact CD2-CD1 4.48Å; L21-Y35 HydrophobicContact CD2-CD2 3.67Å; L21-Y35 HydrophobicContact CD2-CE2 4.16Å; L21-Y35 HydrophobicContact CD2-CG 3.86Å; L21-Y35 HydrophobicContact CG-CD1 4.4Å; L21-Y35 HydrophobicContact CG-CD2 4.3Å; L21-Y35 HydrophobicContact CG-CG 3.97Å; L21-Y35 VanDerWaalsContact O-CD1 3.27Å; L21-Y35 WeakPolarHBondContact O-CD1 3.36Å; Y22-Y35 WeakPolarHBondContact O-CB 3.34Å; Y22-Y35 PolarHBondContact O-N 3Å; V33-Y35 PolarHBondContact O-N 3.24Å; Y35-K37 HydrophobicContact CD1-CB 4.36Å; Y35-K37 HydrophobicContact CE1-CB 3.85Å; Y35-K37 PolarHBondContact O-N 3.36Å; Y35-E41 WeakPolarHBondContact CE1-OE2 3.24Å; Y35-E41 PolarHBondContact OH-OE2 2.96Å; Y35-S106 WeakPolarHBondContact CE2-OG 3.15Å; Y35-S106 VanDerWaalsContact OH-CB 3.29Å; Y35-S106 WeakPolarHBondContact OH-CB 3.07Å; Y35-S106 PolarHBondContact OH-OG 3.28Å; Y35-A108 HydrophobicContact CD2-CB 4.21Å; Y35-A108 HydrophobicContact CE2-CB 4.06Å; Y35-Y109 HydrophobicContact CE1-CD2 4.42Å
36K93.9Very high92.8Very high189 Ų18979 Ų7982%0.82241%0.414SS*.  trans-91.492.8176.6-65.9-175.2-179.4-179.10109.7N34N34-K36 PolarHBondContact O-N 3.2Å
37K92.8Very high93Very high111 Ų11168.4 Ų68.448%0.48338%0.375SS..  trans-60.7137.8172.565.6-174.7-177.3179.20111.1Y35 E41Y35-K37 HydrophobicContact CD1-CB 4.36Å; Y35-K37 HydrophobicContact CE1-CB 3.85Å; Y35-K37 PolarHBondContact O-N 3.36Å; K37-E41 HydrophobicContact CB-CB 4.36Å; K37-E41 HydrophobicContact CB-CG 4.17Å
38G94Very high93.2Very high44 Ų4465.8 Ų65.845%0.45436%0.361SS..  trans-70.7168.3173.800000112.1V40 E41 G42G38-V40 VanDerWaalsContact C-N 3.34Å; G38-V40 PolarHBondContact O-N 3.23Å; G38-E41 PolarHBondContact O-N 3.14Å; G38-G42 PolarHBondContact O-N 3.47Å
39I96.2Very high93.5Very high142 Ų14268.2 Ų68.273%0.72837%0.371SS*.Hα-helixtrans-58.5-45.3-179.2-62.9170.8000111.4G42 I43I39-G42 PolarHBondContact O-N 3.45Å; I39-I43 HydrophobicContact CG2-CD1 4.01Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 2.81Å
40V96.4Very high93.9Very high63 Ų6366.7 Ų66.738%0.38235%0.354SS..Hα-helixtrans-63.1-46.1-178.5-175.80000111.4G38 G42 I43 G44 L98 I101G38-V40 VanDerWaalsContact C-N 3.34Å; G38-V40 PolarHBondContact O-N 3.23Å; V40-G42 VanDerWaalsContact C-N 3.34Å; V40-I43 PolarHBondContact O-N 2.68Å; V40-G44 PolarHBondContact O-N 3.33Å; V40-L98 HydrophobicContact CG1-CB 4.29Å; V40-L98 HydrophobicContact CG1-CD2 4.02Å; V40-L98 WeakPolarHBondContact CG1-O 3.36Å; V40-I101 HydrophobicContact CG1-CB 4.43Å; V40-I101 HydrophobicContact CG1-CG2 4.27Å
41E95.6Very high94.1Very high0 Ų066.2 Ų66.20%035%0.351CS..Hα-helixtrans-62.1-43.5174-177.4177.5-173.100110.9Y35 K37 G38 I43 G44 D45 R103Y35-E41 WeakPolarHBondContact CE1-OE2 3.24Å; Y35-E41 PolarHBondContact OH-OE2 2.96Å; K37-E41 HydrophobicContact CB-CB 4.36Å; K37-E41 HydrophobicContact CB-CG 4.17Å; G38-E41 PolarHBondContact O-N 3.14Å; E41-I43 PolarHBondContact O-N 3.18Å; E41-G44 PolarHBondContact O-N 3.44Å; E41-G44 VanDerWaalsContact O-N 3.17Å; E41-D45 WeakPolarHBondContact O-CB 3.27Å; E41-D45 PolarHBondContact O-N 3.08Å; E41-R103 HydrophobicContact CG-CG 4.06Å; E41-R103 VanDerWaalsContact OE1-CG 3.3Å; E41-R103 WeakPolarHBondContact OE1-CG 3.5Å; E41-R103 IonicContact OE1-NE 3.65Å; E41-R103 PolarHBondContact OE1-NE 2.92Å
42G94.8Very high94.1Very high18 Ų1867.6 Ų67.619%0.18635%0.347CS..Hα-helixtrans-58.6-42.2178.900000113.6G38 I39 V40 S46G38-G42 PolarHBondContact O-N 3.47Å; I39-G42 PolarHBondContact O-N 3.45Å; V40-G42 VanDerWaalsContact C-N 3.34Å; G42-S46 WeakPolarHBondContact O-CB 3.35Å; G42-S46 PolarHBondContact O-N 2.57Å; G42-S46 VanDerWaalsContact O-N 3.1Å
43I96.3Very high94Very high89 Ų8971.8 Ų71.846%0.45636%0.362SS..Hα-helixtrans-65.6-47.3174.2-66.2168.1000110.3I39 V40 E41 S46 G47 L98I39-I43 HydrophobicContact CG2-CD1 4.01Å; I39-I43 WeakPolarHBondContact O-CG1 3.47Å; I39-I43 PolarHBondContact O-N 2.81Å; V40-I43 PolarHBondContact O-N 2.68Å; E41-I43 PolarHBondContact O-N 3.18Å; I43-S46 PolarHBondContact O-N 3.31Å; I43-G47 PolarHBondContact O-N 2.97Å; I43-L98 HydrophobicContact CG2-CD1 3.9Å
44G96Very high93.8Very high0 Ų070.4 Ų70.40%035%0.354CS..Hα-helixtrans-58.4-49.8178.400000112.7V40 E41 S46 G47 V48 F95V40-G44 PolarHBondContact O-N 3.33Å; E41-G44 PolarHBondContact O-N 3.44Å; E41-G44 VanDerWaalsContact O-N 3.17Å; G44-S46 PolarHBondContact O-N 3.49Å; G44-G47 PolarHBondContact O-N 3.27Å; G44-V48 VanDerWaalsContact O-CG2 3.31Å; G44-V48 WeakPolarHBondContact O-CG2 3.48Å; G44-V48 PolarHBondContact O-N 3.25Å; G44-F95 VanDerWaalsContact CA-O 3.26Å; G44-F95 WeakPolarHBondContact CA-O 3.34Å
45D93.6Very high93.6Very high15 Ų1570.4 Ų70.48%0.0835%0.353CS..Hα-helixtrans-61.9-42.8178.8-76.1-20.1000112.5Q20 E41 V48 Y49 R99 R103Q20-D45 PolarHBondContact OE1-OD2 2.97Å; Q20-D45 VanDerWaalsContact OE1-OD2 3.1Å; E41-D45 WeakPolarHBondContact O-CB 3.27Å; E41-D45 PolarHBondContact O-N 3.08Å; D45-V48 PolarHBondContact O-N 3.09Å; D45-Y49 WeakPolarHBondContact O-CB 3.4Å; D45-Y49 PolarHBondContact O-N 3.08Å; D45-R99 WeakPolarHBondContact OD1-CD 3.45Å; D45-R99 WeakPolarHBondContact OD1-CG 3.4Å; D45-R99 IonicContact OD1-CZ 2.75Å; D45-R99 IonicContact OD1-NE 2.75Å; D45-R99 IonicContact OD1-NH1 3.9Å; D45-R99 PolarHBondContact OD1-NH1 3.49Å; D45-R103 IonicContact OD1-NH2 3.7Å
46S94.4Very high93.1Very high59 Ų5972.5 Ų72.541%0.41337%0.373SS..Hα-helixtrans-61.6-46.2176.3-174.90000111G42 I43 G44 Y49 W50G42-S46 WeakPolarHBondContact O-CB 3.35Å; G42-S46 PolarHBondContact O-N 2.57Å; G42-S46 VanDerWaalsContact O-N 3.1Å; I43-S46 PolarHBondContact O-N 3.31Å; G44-S46 PolarHBondContact O-N 3.49Å; S46-Y49 WeakPolarHBondContact O-CB 3.46Å; S46-Y49 PolarHBondContact O-N 2.73Å; S46-W50 PolarHBondContact O-N 2.9Å
47G95.5Very high92.7Very high4 Ų465.5 Ų65.54%0.04135%0.346CS..Hα-helixtrans-64.7-39.8177.800000113.5I43 G44 W50 T51 F95I43-G47 PolarHBondContact O-N 2.97Å; G44-G47 PolarHBondContact O-N 3.27Å; G47-W50 PolarHBondContact O-N 2.95Å; G47-T51 WeakPolarHBondContact O-CB 3.4Å; G47-T51 PolarHBondContact O-N 3.21Å; G47-T51 PolarHBondContact O-OG1 2.9Å; G47-F95 VanDerWaalsContact CA-CG 3.47Å
48V94.2Very high92.5Very high9 Ų962.5 Ų62.56%0.05534%0.341CS..Hα-helixtrans-62.9-45.1173.3169.30000110.8G44 D45 T51 H52 F95 Y96G44-V48 VanDerWaalsContact O-CG2 3.31Å; G44-V48 WeakPolarHBondContact O-CG2 3.48Å; G44-V48 PolarHBondContact O-N 3.25Å; D45-V48 PolarHBondContact O-N 3.09Å; V48-T51 WeakPolarHBondContact O-CB 3.39Å; V48-T51 PolarHBondContact O-N 3.09Å; V48-H52 PolarHBondContact O-CD2 2.89Å; V48-H52 PolarHBondContact O-N 2.8Å; V48-F95 HydrophobicContact CG2-CB 4.16Å; V48-Y96 HydrophobicContact CG1-CE1 4Å; V48-Y96 HydrophobicContact CG1-CE2 4.36Å; V48-Y96 HydrophobicContact CG2-CD1 3.89Å; V48-Y96 HydrophobicContact CG2-CD2 3.91Å; V48-Y96 HydrophobicContact CG2-CE1 3.93Å; V48-Y96 HydrophobicContact CG2-CE2 3.94Å; V48-Y96 HydrophobicContact CG2-CG 3.88Å
49Y91.5Very high92.1Very high136 Ų13668.2 Ų68.253%0.53335%0.354SS..Hα-helixtrans-56.9-51.2175.8170.5-94.1000111.6D45 S46 T51 H52 W53D45-Y49 WeakPolarHBondContact O-CB 3.4Å; D45-Y49 PolarHBondContact O-N 3.08Å; S46-Y49 WeakPolarHBondContact O-CB 3.46Å; S46-Y49 PolarHBondContact O-N 2.73Å; Y49-T51 VanDerWaalsContact C-N 3.3Å; Y49-T51 PolarHBondContact O-N 3.1Å; Y49-H52 PolarHBondContact O-N 3.36Å; Y49-W53 WeakPolarHBondContact O-CB 3.31Å; Y49-W53 PolarHBondContact O-N 2.84Å
50W93.3Very high91.6Very high134 Ų13468.3 Ų68.351%0.50835%0.353SS..Hα-helixtrans-64.4-35178.7-79111.2000112.4S46 G47 W53 T54S46-W50 PolarHBondContact O-N 2.9Å; G47-W50 PolarHBondContact O-N 2.95Å; W50-W53 HydrophobicContact CE3-CB 4.44Å; W50-W53 HydrophobicContact CE3-CD2 4.01Å; W50-W53 AromaticContact CE3-CE3 3.67Å; W50-W53 HydrophobicContact CE3-CE3 3.67Å; W50-W53 HydrophobicContact CE3-CG 4.34Å; W50-W53 HydrophobicContact CE3-CZ3 4.27Å; W50-W53 AromaticContact CZ3-CD2 3.83Å; W50-W53 HydrophobicContact CZ3-CD2 3.83Å; W50-W53 AromaticContact CZ3-CE3 3.66Å; W50-W53 HydrophobicContact CZ3-CE3 3.66Å; W50-W53 HydrophobicContact CZ3-CG 4.39Å; W50-W53 HydrophobicContact CZ3-CH2 4.39Å; W50-W53 AromaticContact CZ3-CZ3 3.95Å; W50-W53 HydrophobicContact CZ3-CZ3 3.95Å; W50-W53 PolarHBondContact O-N 3.49Å; W50-T54 WeakPolarHBondContact O-CB 3.46Å; W50-T54 PolarHBondContact O-N 3.45Å; W50-T54 PolarHBondContact O-OG1 2.85Å
51T93Very high91.2Very high39 Ų3970.1 Ų70.124%0.23936%0.356CS..Hα-helixtrans-59.1-49.6173.9-60.40000111.3G47 V48 Y49 T54 L55 A92G47-T51 WeakPolarHBondContact O-CB 3.4Å; G47-T51 PolarHBondContact O-N 3.21Å; G47-T51 PolarHBondContact O-OG1 2.9Å; V48-T51 WeakPolarHBondContact O-CB 3.39Å; V48-T51 PolarHBondContact O-N 3.09Å; Y49-T51 VanDerWaalsContact C-N 3.3Å; Y49-T51 PolarHBondContact O-N 3.1Å; T51-T54 PolarHBondContact O-N 2.92Å; T51-L55 WeakPolarHBondContact O-CB 3.31Å; T51-L55 PolarHBondContact O-N 3.37Å; T51-A92 HydrophobicContact CG2-CB 3.68Å
52H90.3Very high91Very high91 Ų9172.8 Ų72.842%0.42138%0.375SS..Hα-helixtrans-65.8-39.2178.2-78.1-66.8000112.4V48 Y49 L55 S56 Y96V48-H52 PolarHBondContact O-CD2 2.89Å; V48-H52 PolarHBondContact O-N 2.8Å; Y49-H52 PolarHBondContact O-N 3.36Å; H52-L55 PolarHBondContact O-N 3.47Å; H52-S56 VanDerWaalsContact O-CB 3.31Å; H52-S56 WeakPolarHBondContact O-CB 3.46Å; H52-S56 PolarHBondContact O-N 2.92Å; H52-S56 PolarHBondContact O-OG 3.42Å; H52-Y96 PolarHBondContact NE2-OH 3.16Å
53W89.1Confident90.8Very high113 Ų11376 Ų7643%0.42839%0.392SS..Hα-helixtrans-61.8-49.7175.1-178.888.7000111.1Y49 W50 L55 S56 T57Y49-W53 WeakPolarHBondContact O-CB 3.31Å; Y49-W53 PolarHBondContact O-N 2.84Å; W50-W53 HydrophobicContact CE3-CB 4.44Å; W50-W53 HydrophobicContact CE3-CD2 4.01Å; W50-W53 AromaticContact CE3-CE3 3.67Å; W50-W53 HydrophobicContact CE3-CE3 3.67Å; W50-W53 HydrophobicContact CE3-CG 4.34Å; W50-W53 HydrophobicContact CE3-CZ3 4.27Å; W50-W53 AromaticContact CZ3-CD2 3.83Å; W50-W53 HydrophobicContact CZ3-CD2 3.83Å; W50-W53 AromaticContact CZ3-CE3 3.66Å; W50-W53 HydrophobicContact CZ3-CE3 3.66Å; W50-W53 HydrophobicContact CZ3-CG 4.39Å; W50-W53 HydrophobicContact CZ3-CH2 4.39Å; W50-W53 AromaticContact CZ3-CZ3 3.95Å; W50-W53 HydrophobicContact CZ3-CZ3 3.95Å; W50-W53 PolarHBondContact O-N 3.49Å; W53-L55 VanDerWaalsContact C-N 3.34Å; W53-L55 PolarHBondContact O-N 2.68Å; W53-S56 PolarHBondContact O-N 3.14Å; W53-T57 WeakPolarHBondContact O-CB 3.41Å; W53-T57 PolarHBondContact O-N 2.87Å; W53-T57 PolarHBondContact O-OG1 3.25Å
54T89.2Confident90.5Very high74 Ų7477.5 Ų77.545%0.45440%0.401SS..Hα-helixtrans-60.8-42.9178.4-620000111.4W50 T51 T57 A58W50-T54 WeakPolarHBondContact O-CB 3.46Å; W50-T54 PolarHBondContact O-N 3.45Å; W50-T54 PolarHBondContact O-OG1 2.85Å; T51-T54 PolarHBondContact O-N 2.92Å; T54-T57 PolarHBondContact O-N 2.94Å; T54-A58 VanDerWaalsContact O-CB 3.25Å; T54-A58 WeakPolarHBondContact O-CB 3.42Å; T54-A58 PolarHBondContact O-N 3.49Å
55L89.9Confident90.2Very high117 Ų11781.3 Ų81.361%0.61342%0.42SS*.Hα-helixtrans-64.1-41.6177.3-176.960.4000112T51 H52 W53 A58 K59T51-L55 WeakPolarHBondContact O-CB 3.31Å; T51-L55 PolarHBondContact O-N 3.37Å; H52-L55 PolarHBondContact O-N 3.47Å; W53-L55 VanDerWaalsContact C-N 3.34Å; W53-L55 PolarHBondContact O-N 2.68Å; L55-A58 PolarHBondContact O-N 3.5Å; L55-K59 WeakPolarHBondContact O-CB 3.46Å; L55-K59 PolarHBondContact O-N 3.2Å
56S85.9Confident90Very high76 Ų7682.7 Ų82.753%0.53143%0.433SS..Hα-helixtrans-65.5-44.9178.1-59.80000111.6H52 W53 K59 M60H52-S56 VanDerWaalsContact O-CB 3.31Å; H52-S56 WeakPolarHBondContact O-CB 3.46Å; H52-S56 PolarHBondContact O-N 2.92Å; H52-S56 PolarHBondContact O-OG 3.42Å; W53-S56 PolarHBondContact O-N 3.14Å; S56-K59 PolarHBondContact O-N 2.62Å; S56-M60 PolarHBondContact O-N 2.94Å
57T85.5Confident89.9Confident42 Ų4281.7 Ų81.726%0.25843%0.429SS..Hα-helixtrans-62.4-46.2174.9-59.90000110.8W53 T54 K59 M60 F61W53-T57 WeakPolarHBondContact O-CB 3.41Å; W53-T57 PolarHBondContact O-N 2.87Å; W53-T57 PolarHBondContact O-OG1 3.25Å; T54-T57 PolarHBondContact O-N 2.94Å; T57-K59 VanDerWaalsContact C-N 3.31Å; T57-K59 PolarHBondContact O-N 3.37Å; T57-M60 WeakPolarHBondContact O-CB 3.46Å; T57-M60 PolarHBondContact O-N 3.04Å; T57-M60 VanDerWaalsContact O-N 3.16Å; T57-F61 HydrophobicContact CG2-CD2 3.76Å; T57-F61 HydrophobicContact CG2-CE2 3.79Å; T57-F61 VanDerWaalsContact O-CD2 3.24Å; T57-F61 WeakPolarHBondContact O-CD2 3.39Å; T57-F61 PolarHBondContact O-N 3.05Å
58A86.9Confident89.7Confident47 Ų4781.9 Ų81.939%0.38843%0.431SS..Hα-helixtrans-60-40.9176.700000112.1T54 L55 F61 S62T54-A58 VanDerWaalsContact O-CB 3.25Å; T54-A58 WeakPolarHBondContact O-CB 3.42Å; T54-A58 PolarHBondContact O-N 3.49Å; L55-A58 PolarHBondContact O-N 3.5Å; A58-F61 PolarHBondContact O-N 3.38Å; A58-S62 WeakPolarHBondContact O-CB 3.45Å; A58-S62 PolarHBondContact O-N 2.81Å
59K86.7Confident89.5Confident164 Ų16484.5 Ų84.571%0.71344%0.444SS*.Hα-helixtrans-62.3-44.1174.7-176.5177.4177.7-1780111.6L55 S56 T57 F61 S62L55-K59 WeakPolarHBondContact O-CB 3.46Å; L55-K59 PolarHBondContact O-N 3.2Å; S56-K59 PolarHBondContact O-N 2.62Å; T57-K59 VanDerWaalsContact C-N 3.31Å; T57-K59 PolarHBondContact O-N 3.37Å; K59-F61 PolarHBondContact O-N 2.89Å; K59-S62 WeakPolarHBondContact O-CB 2.9Å; K59-S62 PolarHBondContact O-N 2.69Å; K59-S62 PolarHBondContact O-OG 3.38Å
60M85Confident89.6Confident145 Ų14585.1 Ų85.171%0.71446%0.455SS*.Hα-helixtrans-59.8-43.3177.6-179.4-179.3-74.300112.3S56 T57 P63S56-M60 PolarHBondContact O-N 2.94Å; T57-M60 WeakPolarHBondContact O-CB 3.46Å; T57-M60 PolarHBondContact O-N 3.04Å; T57-M60 VanDerWaalsContact O-N 3.16Å; M60-P63 WeakPolarHBondContact O-CD 3.39Å
61F88Confident89.4Confident100 Ų10088.6 Ų88.644%0.43947%0.468SS..Hα-helixtrans-87.3-2.7-179.8-70-75.2000114.2T57 A58 K59 P63 L64 I65T57-F61 HydrophobicContact CG2-CD2 3.76Å; T57-F61 HydrophobicContact CG2-CE2 3.79Å; T57-F61 VanDerWaalsContact O-CD2 3.24Å; T57-F61 WeakPolarHBondContact O-CD2 3.39Å; T57-F61 PolarHBondContact O-N 3.05Å; A58-F61 PolarHBondContact O-N 3.38Å; K59-F61 PolarHBondContact O-N 2.89Å; F61-P63 VanDerWaalsContact C-CD 3.41Å; F61-L64 HydrophobicContact CD1-CD1 3.89Å; F61-L64 HydrophobicContact CE1-CD1 4.43Å; F61-L64 PolarHBondContact O-N 3.25Å; F61-L64 VanDerWaalsContact O-N 3.07Å; F61-I65 HydrophobicContact CB-CD1 4.41Å; F61-I65 WeakPolarHBondContact O-CG1 3.33Å; F61-I65 PolarHBondContact O-N 2.67Å; F61-I65 VanDerWaalsContact O-N 3.08Å
62S91.4Very high89.2Confident57 Ų5789.5 Ų89.540%0.39949%0.485SS..Hα-helixtrans-56.5-35.6-176.466.70000115A58 K59 L64 I65 A66A58-S62 WeakPolarHBondContact O-CB 3.45Å; A58-S62 PolarHBondContact O-N 2.81Å; K59-S62 WeakPolarHBondContact O-CB 2.9Å; K59-S62 PolarHBondContact O-N 2.69Å; K59-S62 PolarHBondContact O-OG 3.38Å; S62-L64 PolarHBondContact O-N 3.03Å; S62-I65 PolarHBondContact O-N 3.49Å; S62-A66 VanDerWaalsContact O-CB 3.31Å; S62-A66 WeakPolarHBondContact O-CB 3.18Å; S62-A66 PolarHBondContact O-N 3.04Å
63P91.1Very high89.2Confident86 Ų8690 Ų9056%0.55850%0.495SS*.Hα-helixtrans-66.1-36.1176-21.635.5000113M60 F61 A67M60-P63 WeakPolarHBondContact O-CD 3.39Å; F61-P63 VanDerWaalsContact C-CD 3.41Å; P63-A67 WeakPolarHBondContact O-CB 3.47Å; P63-A67 PolarHBondContact O-N 3.08Å
64L90.4Very high89.1Confident120 Ų12087.8 Ų87.863%0.62849%0.491SS*.Hα-helixtrans-70.1-41.1177.2-65.2176000111.2F61 S62 A67 G68F61-L64 HydrophobicContact CD1-CD1 3.89Å; F61-L64 HydrophobicContact CE1-CD1 4.43Å; F61-L64 PolarHBondContact O-N 3.25Å; F61-L64 VanDerWaalsContact O-N 3.07Å; S62-L64 PolarHBondContact O-N 3.03Å; L64-A67 PolarHBondContact O-N 3.49Å; L64-G68 PolarHBondContact O-N 3.18Å
65I88.9Confident88.9Confident79 Ų7990.1 Ų90.141%0.40551%0.507SS..Hα-helixtrans-62.8-47174.7-63168.5000109.9F61 S62 A67 G68 L69 I74F61-I65 HydrophobicContact CB-CD1 4.41Å; F61-I65 WeakPolarHBondContact O-CG1 3.33Å; F61-I65 PolarHBondContact O-N 2.67Å; F61-I65 VanDerWaalsContact O-N 3.08Å; S62-I65 PolarHBondContact O-N 3.49Å; I65-A67 PolarHBondContact O-N 3.22Å; I65-G68 PolarHBondContact O-N 2.87Å; I65-L69 HydrophobicContact CG2-CD1 4.05Å; I65-L69 HydrophobicContact CG2-CG 4.45Å; I65-L69 VanDerWaalsContact O-CG 3.32Å; I65-L69 WeakPolarHBondContact O-CG 3.41Å; I65-L69 PolarHBondContact O-N 3.27Å; I65-I74 HydrophobicContact CG2-CD1 4.38Å
66A90Very high88.7Confident44 Ų4490.8 Ų90.836%0.36451%0.505SS..Hα-helixtrans-60.5-44.6177.300000112S62 G68 L69 I70S62-A66 VanDerWaalsContact O-CB 3.31Å; S62-A66 WeakPolarHBondContact O-CB 3.18Å; S62-A66 PolarHBondContact O-N 3.04Å; A66-G68 VanDerWaalsContact C-N 3.32Å; A66-G68 PolarHBondContact O-N 3.28Å; A66-L69 PolarHBondContact O-N 3.12Å; A66-I70 VanDerWaalsContact O-CG1 3.28Å; A66-I70 WeakPolarHBondContact O-CG1 3.2Å; A66-I70 PolarHBondContact O-N 3.21Å
67A91.8Very high89Confident38 Ų3891.7 Ų91.731%0.31450%0.504SS..Hα-helixtrans-60.7-40.4175.800000112.2P63 L64 I65 I70 R71P63-A67 WeakPolarHBondContact O-CB 3.47Å; P63-A67 PolarHBondContact O-N 3.08Å; L64-A67 PolarHBondContact O-N 3.49Å; I65-A67 PolarHBondContact O-N 3.22Å; A67-I70 PolarHBondContact O-N 2.85Å; A67-R71 WeakPolarHBondContact O-CB 3.25Å; A67-R71 VanDerWaalsContact O-CG 3.31Å; A67-R71 WeakPolarHBondContact O-CG 3.43Å; A67-R71 PolarHBondContact O-N 2.6Å
68G91.6Very high89.2Confident8 Ų894.6 Ų94.68%0.08252%0.522CS..Hα-helixtrans-66.8-38.417600000113.4L64 I65 A66 G72 T73 I74L64-G68 PolarHBondContact O-N 3.18Å; I65-G68 PolarHBondContact O-N 2.87Å; A66-G68 VanDerWaalsContact C-N 3.32Å; A66-G68 PolarHBondContact O-N 3.28Å; G68-G72 PolarHBondContact O-N 3.18Å; G68-G72 VanDerWaalsContact O-N 3.15Å; G68-T73 VanDerWaalsContact CA-OG1 3.26Å; G68-T73 WeakPolarHBondContact CA-OG1 3.1Å; G68-T73 PolarHBondContact O-N 2.73Å; G68-T73 PolarHBondContact O-OG1 2.84Å; G68-T73 VanDerWaalsContact O-OG1 3.11Å; G68-I74 PolarHBondContact O-N 3.44Å
69L91Very high89.5Confident65 Ų6597 Ų9734%0.3453%0.531SS..Hα-helixtrans-65-45.8173.8-70.2170000111.8I65 A66 R71 G72 I74 F76I65-L69 HydrophobicContact CG2-CD1 4.05Å; I65-L69 HydrophobicContact CG2-CG 4.45Å; I65-L69 VanDerWaalsContact O-CG 3.32Å; I65-L69 WeakPolarHBondContact O-CG 3.41Å; I65-L69 PolarHBondContact O-N 3.27Å; A66-L69 PolarHBondContact O-N 3.12Å; L69-R71 VanDerWaalsContact C-N 3.33Å; L69-R71 PolarHBondContact O-N 3.49Å; L69-G72 PolarHBondContact O-N 3.36Å; L69-G72 VanDerWaalsContact O-N 3.08Å; L69-I74 HydrophobicContact CD2-CB 4.03Å; L69-I74 HydrophobicContact CD2-CG2 3.88Å; L69-I74 HydrophobicContact CG-CB 4.4Å; L69-F76 HydrophobicContact CD2-CB 3.65Å; L69-F76 HydrophobicContact CD2-CD2 3.92Å; L69-F76 HydrophobicContact CD2-CG 4Å
70I91.6Very high89.7Confident149 Ų14991.1 Ų91.176%0.76451%0.513SS*.Hα-helixtrans-63.7-39.6178.8-68.7165.5000111.1A66 A67 G72A66-I70 VanDerWaalsContact O-CG1 3.28Å; A66-I70 WeakPolarHBondContact O-CG1 3.2Å; A66-I70 PolarHBondContact O-N 3.21Å; A67-I70 PolarHBondContact O-N 2.85Å; I70-G72 PolarHBondContact O-N 3.22Å
71R91.1Very high89.9Confident206 Ų20686.4 Ų86.478%0.77750%0.495SS*.THydrogen-bonded Turntrans-75.6-6.3176.3-71.4179.8178.3166.90.7113.6A67 L69 T73A67-R71 WeakPolarHBondContact O-CB 3.25Å; A67-R71 VanDerWaalsContact O-CG 3.31Å; A67-R71 WeakPolarHBondContact O-CG 3.43Å; A67-R71 PolarHBondContact O-N 2.6Å; L69-R71 VanDerWaalsContact C-N 3.33Å; L69-R71 PolarHBondContact O-N 3.49Å; R71-T73 HydrophobicContact CB-CG2 4.11Å; R71-T73 PolarHBondContact O-N 3.27Å
72G88Confident90Very high58 Ų5883.2 Ų83.260%0.59849%0.49SS*.THydrogen-bonded Turntrans68.712.1-175.400000114.4G68 L69 I70 I74G68-G72 PolarHBondContact O-N 3.18Å; G68-G72 VanDerWaalsContact O-N 3.15Å; L69-G72 PolarHBondContact O-N 3.36Å; L69-G72 VanDerWaalsContact O-N 3.08Å; I70-G72 PolarHBondContact O-N 3.22Å; G72-I74 VanDerWaalsContact C-N 3.35Å
73T90.1Very high90.2Very high102 Ų10287.3 Ų87.363%0.62650%0.501SS*.  trans-77.5-24.2177.958.60000112.3G68 R71G68-T73 VanDerWaalsContact CA-OG1 3.26Å; G68-T73 WeakPolarHBondContact CA-OG1 3.1Å; G68-T73 PolarHBondContact O-N 2.73Å; G68-T73 PolarHBondContact O-OG1 2.84Å; G68-T73 VanDerWaalsContact O-OG1 3.11Å; R71-T73 HydrophobicContact CB-CG2 4.11Å; R71-T73 PolarHBondContact O-N 3.27Å
74I85.9Confident90.3Very high66 Ų6688.3 Ų88.334%0.33850%0.501SS..SBendtrans-102.2115172.9-59.7175.9000108.1I65 G68 L69 G72 F76I65-I74 HydrophobicContact CG2-CD1 4.38Å; G68-I74 PolarHBondContact O-N 3.44Å; L69-I74 HydrophobicContact CD2-CB 4.03Å; L69-I74 HydrophobicContact CD2-CG2 3.88Å; L69-I74 HydrophobicContact CG-CB 4.4Å; G72-I74 VanDerWaalsContact C-N 3.35Å; I74-F76 PolarHBondContact O-N 2.84Å
75P86Confident90.3Very high123 Ų12386 Ų8680%0.79949%0.493SS*.  trans-66.7128174.827.2-32.8000110
76F86.3Confident90.6Very high131 Ų13186.2 Ų86.258%0.57550%0.498SS*.  trans-112.7114.9179.7-170.5-116.6000111.5L69 I74 V78 S81L69-F76 HydrophobicContact CD2-CB 3.65Å; L69-F76 HydrophobicContact CD2-CD2 3.92Å; L69-F76 HydrophobicContact CD2-CG 4Å; I74-F76 PolarHBondContact O-N 2.84Å; F76-V78 HydrophobicContact CD1-CG2 4.02Å; F76-V78 HydrophobicContact CE1-CB 4.45Å; F76-V78 HydrophobicContact CE1-CG2 3.64Å; F76-S81 WeakPolarHBondContact CE2-OG 3.5Å
77N91.2Very high90.8Very high95 Ų9587.7 Ų87.751%0.50851%0.506SS..  trans-110.6104.7171.4-178.9-34.3000109.1V79 A80 S81N77-V79 VanDerWaalsContact C-N 3.25Å; N77-V79 PolarHBondContact O-N 3.14Å; N77-V79 PolarHBondContact OD1-N 2.74Å; N77-A80 HydrophobicContact CB-CB 4Å; N77-A80 PolarHBondContact O-N 2.78Å; N77-A80 PolarHBondContact OD1-N 2.94Å; N77-A80 VanDerWaalsContact OD1-N 3.09Å; N77-S81 WeakPolarHBondContact O-CB 3.27Å; N77-S81 PolarHBondContact O-N 3.24Å; N77-S81 PolarHBondContact O-OG 2.86Å; N77-S81 VanDerWaalsContact O-OG 3.1Å
78V89.5Confident90.9Very high104 Ų10490.8 Ų90.863%0.6352%0.517SS*.Hα-helixtrans-51.7-43.5-176.7-1780000112.2F76 G82F76-V78 HydrophobicContact CD1-CG2 4.02Å; F76-V78 HydrophobicContact CE1-CB 4.45Å; F76-V78 HydrophobicContact CE1-CG2 3.64Å; V78-G82 PolarHBondContact O-N 3.44Å
79V93.2Very high91Very high96 Ų9696.5 Ų96.558%0.58254%0.543SS*.Hα-helixtrans-70.3-45.2-176.7178.60000111N77 G82 K83N77-V79 VanDerWaalsContact C-N 3.25Å; N77-V79 PolarHBondContact O-N 3.14Å; N77-V79 PolarHBondContact OD1-N 2.74Å; V79-G82 PolarHBondContact O-N 3.09Å; V79-K83 WeakPolarHBondContact O-CG 3.35Å; V79-K83 PolarHBondContact O-N 3.29Å
80A92Very high91.3Very high41 Ų4199.1 Ų99.134%0.33956%0.557SS.*Hα-helixtrans-66-45.7178.300000111.4N77 G82 K83 I84N77-A80 HydrophobicContact CB-CB 4Å; N77-A80 PolarHBondContact O-N 2.78Å; N77-A80 PolarHBondContact OD1-N 2.94Å; N77-A80 VanDerWaalsContact OD1-N 3.09Å; A80-G82 VanDerWaalsContact C-N 3.32Å; A80-G82 PolarHBondContact O-N 3.04Å; A80-K83 PolarHBondContact O-N 2.8Å; A80-I84 WeakPolarHBondContact O-CG1 3.41Å; A80-I84 PolarHBondContact O-N 3.18Å
81S87.9Confident91.5Very high46 Ų4696.1 Ų96.132%0.32254%0.541SS..Hα-helixtrans-60.5-41.1175.8-62.40000111.9F76 N77 I84 C85F76-S81 WeakPolarHBondContact CE2-OG 3.5Å; N77-S81 WeakPolarHBondContact O-CB 3.27Å; N77-S81 PolarHBondContact O-N 3.24Å; N77-S81 PolarHBondContact O-OG 2.86Å; N77-S81 VanDerWaalsContact O-OG 3.1Å; S81-I84 PolarHBondContact O-N 2.77Å; S81-C85 WeakPolarHBondContact O-CB 3.41Å; S81-C85 PolarHBondContact O-N 3.03Å
82G91.8Very high91.7Very high34 Ų3487.1 Ų87.135%0.35151%0.511SS..Hα-helixtrans-60.7-46.4174.700000112.6V78 V79 A80 I84 C85 V86V78-G82 PolarHBondContact O-N 3.44Å; V79-G82 PolarHBondContact O-N 3.09Å; A80-G82 VanDerWaalsContact C-N 3.32Å; A80-G82 PolarHBondContact O-N 3.04Å; G82-I84 PolarHBondContact O-N 2.86Å; G82-C85 PolarHBondContact O-N 3.18Å; G82-V86 WeakPolarHBondContact O-CG2 3.37Å; G82-V86 PolarHBondContact O-N 2.88Å
83K94.9Very high92Very high143 Ų14386.5 Ų86.562%0.62250%0.501SS*.Hα-helixtrans-59.7-46.4176.1-73.3177.4-179.1-1780112V79 A80 C85 V86 S87V79-K83 WeakPolarHBondContact O-CG 3.35Å; V79-K83 PolarHBondContact O-N 3.29Å; A80-K83 PolarHBondContact O-N 2.8Å; K83-C85 VanDerWaalsContact C-N 3.34Å; K83-C85 PolarHBondContact O-N 3.31Å; K83-V86 PolarHBondContact O-N 3.03Å; K83-S87 PolarHBondContact O-N 3.04Å; K83-S87 PolarHBondContact O-OG 3.06Å; K83-S87 VanDerWaalsContact O-OG 3.12Å
84I92.3Very high92.3Very high107 Ų10784 Ų8455%0.54949%0.487SS..Hα-helixtrans-60.3-45.7177.4-67.5166.6000110.5A80 S81 G82 V86 S87 L88A80-I84 WeakPolarHBondContact O-CG1 3.41Å; A80-I84 PolarHBondContact O-N 3.18Å; S81-I84 PolarHBondContact O-N 2.77Å; G82-I84 PolarHBondContact O-N 2.86Å; I84-V86 PolarHBondContact O-N 2.87Å; I84-S87 PolarHBondContact O-N 3.3Å; I84-L88 HydrophobicContact CG2-CD1 3.88Å; I84-L88 HydrophobicContact CG2-CG 4.3Å; I84-L88 WeakPolarHBondContact O-CB 3.17Å; I84-L88 VanDerWaalsContact O-CG 3.31Å; I84-L88 WeakPolarHBondContact O-CG 3.28Å; I84-L88 PolarHBondContact O-N 3.19Å
85C91.5Very high92.9Very high70 Ų7083 Ų8347%0.47348%0.481SS..Hα-helixtrans-59-48.5178.6-174.10000111.7S81 G82 K83 S87 L88 M89S81-C85 WeakPolarHBondContact O-CB 3.41Å; S81-C85 PolarHBondContact O-N 3.03Å; G82-C85 PolarHBondContact O-N 3.18Å; K83-C85 VanDerWaalsContact C-N 3.34Å; K83-C85 PolarHBondContact O-N 3.31Å; C85-S87 PolarHBondContact O-N 2.91Å; C85-L88 PolarHBondContact O-N 3.16Å; C85-M89 WeakPolarHBondContact O-CG 3.45Å; C85-M89 PolarHBondContact O-N 3.22Å
86V95Very high93.4Very high84 Ų8479.3 Ų79.351%0.50945%0.451SS..Hα-helixtrans-61.2-44.3177.2172.80000111.4G82 K83 I84 L88 M89 L90G82-V86 WeakPolarHBondContact O-CG2 3.37Å; G82-V86 PolarHBondContact O-N 2.88Å; K83-V86 PolarHBondContact O-N 3.03Å; I84-V86 PolarHBondContact O-N 2.87Å; V86-L88 PolarHBondContact O-N 3.23Å; V86-M89 PolarHBondContact O-N 3.04Å; V86-L90 HydrophobicContact CG1-CD1 4.11Å; V86-L90 HydrophobicContact CG1-CG 4.48Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 2.95Å
87S94.9Very high93.9Very high76 Ų7676.3 Ų76.353%0.53144%0.444SS..Hα-helixtrans-61.2-41.9176.8-64.50000112.5K83 I84 C85 L90 L91K83-S87 PolarHBondContact O-N 3.04Å; K83-S87 PolarHBondContact O-OG 3.06Å; K83-S87 VanDerWaalsContact O-OG 3.12Å; I84-S87 PolarHBondContact O-N 3.3Å; C85-S87 PolarHBondContact O-N 2.91Å; S87-L90 PolarHBondContact O-N 2.87Å; S87-L91 WeakPolarHBondContact O-CB 3.37Å; S87-L91 PolarHBondContact O-N 3.31Å
88L93.4Very high94.1Very high102 Ų10274.6 Ų74.653%0.53443%0.434SS..Hα-helixtrans-65.8-38.8176-70.9173.9000112I84 C85 V86 L91 A92I84-L88 HydrophobicContact CG2-CD1 3.88Å; I84-L88 HydrophobicContact CG2-CG 4.3Å; I84-L88 WeakPolarHBondContact O-CB 3.17Å; I84-L88 VanDerWaalsContact O-CG 3.31Å; I84-L88 WeakPolarHBondContact O-CG 3.28Å; I84-L88 PolarHBondContact O-N 3.19Å; C85-L88 PolarHBondContact O-N 3.16Å; V86-L88 PolarHBondContact O-N 3.23Å; L88-L91 PolarHBondContact O-N 3.39Å; L88-A92 WeakPolarHBondContact O-CB 3.33Å; L88-A92 PolarHBondContact O-N 2.98Å
89M94.2Very high94.4Very high129 Ų12971 Ų7164%0.63541%0.409SS*.Hα-helixtrans-64.8-43175.2-71.7-179.271.300112.2C85 V86 L91 A92 A93C85-M89 WeakPolarHBondContact O-CG 3.45Å; C85-M89 PolarHBondContact O-N 3.22Å; V86-M89 PolarHBondContact O-N 3.04Å; M89-L91 VanDerWaalsContact C-N 3.35Å; M89-A92 PolarHBondContact O-N 2.8Å; M89-A93 WeakPolarHBondContact O-CB 3.37Å; M89-A93 PolarHBondContact O-N 3.36Å
90L96.2Very high94.6Very high120 Ų12069.7 Ų69.763%0.62840%0.396SS*.Hα-helixtrans-64.8-39.5176.3-72.2173000111.9V86 S87 A93 S94V86-L90 HydrophobicContact CG1-CD1 4.11Å; V86-L90 HydrophobicContact CG1-CG 4.48Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 2.95Å; S87-L90 PolarHBondContact O-N 2.87Å; L90-A93 PolarHBondContact O-N 2.79Å; L90-S94 PolarHBondContact O-N 3.31Å
91L95.9Very high94.8Very high85 Ų8571.1 Ų71.145%0.44540%0.397SS..Hα-helixtrans-66-45.3175.1-178.961.1000111.7S87 L88 M89 A93 S94 F95S87-L91 WeakPolarHBondContact O-CB 3.37Å; S87-L91 PolarHBondContact O-N 3.31Å; L88-L91 PolarHBondContact O-N 3.39Å; M89-L91 VanDerWaalsContact C-N 3.35Å; L91-A93 VanDerWaalsContact C-N 3.31Å; L91-A93 PolarHBondContact O-N 2.8Å; L91-S94 PolarHBondContact O-N 3Å; L91-S94 PolarHBondContact O-OG 2.04Å; L91-F95 HydrophobicContact CD1-CE1 4.44Å; L91-F95 HydrophobicContact CD1-CE2 3.87Å; L91-F95 HydrophobicContact CD1-CZ 3.77Å; L91-F95 HydrophobicContact CD2-CE2 4.26Å; L91-F95 HydrophobicContact CG-CD2 4.36Å; L91-F95 HydrophobicContact CG-CE2 3.66Å; L91-F95 HydrophobicContact CG-CZ 4.06Å; L91-F95 VanDerWaalsContact O-CD2 3.24Å; L91-F95 WeakPolarHBondContact O-CD2 3.41Å; L91-F95 PolarHBondContact O-N 3.5Å
92A94.9Very high95.2Very high17 Ų1769.6 Ų69.614%0.1439%0.388CS..Hα-helixtrans-58-46173.900000111.2T51 L88 M89 S94 F95 Y96T51-A92 HydrophobicContact CG2-CB 3.68Å; L88-A92 WeakPolarHBondContact O-CB 3.33Å; L88-A92 PolarHBondContact O-N 2.98Å; M89-A92 PolarHBondContact O-N 2.8Å; A92-S94 VanDerWaalsContact C-N 3.32Å; A92-S94 PolarHBondContact O-N 3.47Å; A92-F95 PolarHBondContact O-N 2.95Å; A92-Y96 WeakPolarHBondContact O-CD2 3.42Å; A92-Y96 PolarHBondContact O-N 2.73Å
93A95.7Very high95.4Very high46 Ų4668 Ų6838%0.3837%0.371SS..Hα-helixtrans-60.5-40.1177.500000112.3M89 L90 L91 F95 Y96 V97M89-A93 WeakPolarHBondContact O-CB 3.37Å; M89-A93 PolarHBondContact O-N 3.36Å; L90-A93 PolarHBondContact O-N 2.79Å; L91-A93 VanDerWaalsContact C-N 3.31Å; L91-A93 PolarHBondContact O-N 2.8Å; A93-F95 VanDerWaalsContact C-N 3.32Å; A93-F95 PolarHBondContact O-N 3.28Å; A93-Y96 PolarHBondContact O-N 3.24Å; A93-V97 WeakPolarHBondContact O-CG2 3.5Å; A93-V97 PolarHBondContact O-N 3.24Å
94S96.7Very high95.4Very high49 Ų4963.7 Ų63.734%0.34336%0.357SS..Hα-helixtrans-64.1-36.2178.178.70000112.1L90 L91 A92 V97 L98L90-S94 PolarHBondContact O-N 3.31Å; L91-S94 PolarHBondContact O-N 3Å; L91-S94 PolarHBondContact O-OG 2.04Å; A92-S94 VanDerWaalsContact C-N 3.32Å; A92-S94 PolarHBondContact O-N 3.47Å; S94-V97 PolarHBondContact O-N 3.39Å; S94-L98 WeakPolarHBondContact O-CG 3.4Å; S94-L98 PolarHBondContact O-N 3.39Å
95F97.2Very high95.5Very high46 Ų4664.5 Ų64.520%0.20236%0.363CS..Hα-helixtrans-64-41.2174.1-65.6-49.8000113.1G44 G47 V48 L91 A92 A93 V97 L98 R99G44-F95 VanDerWaalsContact CA-O 3.26Å; G44-F95 WeakPolarHBondContact CA-O 3.34Å; G47-F95 VanDerWaalsContact CA-CG 3.47Å; V48-F95 HydrophobicContact CG2-CB 4.16Å; L91-F95 HydrophobicContact CD1-CE1 4.44Å; L91-F95 HydrophobicContact CD1-CE2 3.87Å; L91-F95 HydrophobicContact CD1-CZ 3.77Å; L91-F95 HydrophobicContact CD2-CE2 4.26Å; L91-F95 HydrophobicContact CG-CD2 4.36Å; L91-F95 HydrophobicContact CG-CE2 3.66Å; L91-F95 HydrophobicContact CG-CZ 4.06Å; L91-F95 VanDerWaalsContact O-CD2 3.24Å; L91-F95 WeakPolarHBondContact O-CD2 3.41Å; L91-F95 PolarHBondContact O-N 3.5Å; A92-F95 PolarHBondContact O-N 2.95Å; A93-F95 VanDerWaalsContact C-N 3.32Å; A93-F95 PolarHBondContact O-N 3.28Å; F95-V97 VanDerWaalsContact C-N 3.34Å; F95-L98 PolarHBondContact O-N 2.69Å; F95-R99 WeakPolarHBondContact O-CB 3.37Å; F95-R99 PolarHBondContact O-N 2.96Å
96Y96.2Very high95.7Very high44 Ų4462 Ų6217%0.17335%0.346CS..Hα-helixtrans-64.8-37.8173.3-80.1-83.6000112.3F16 T17 V48 H52 A92 A93 R99 F100F16-Y96 HydrophobicContact CD1-CD1 4.41Å; F16-Y96 HydrophobicContact CE1-CD1 4.18Å; F16-Y96 HydrophobicContact CE1-CG 4.18Å; F16-Y96 HydrophobicContact CZ-CD1 4.47Å; F16-Y96 HydrophobicContact CZ-CG 4.1Å; T17-Y96 HydrophobicContact CG2-CD1 4.5Å; T17-Y96 HydrophobicContact CG2-CE1 4.25Å; V48-Y96 HydrophobicContact CG1-CE1 4Å; V48-Y96 HydrophobicContact CG1-CE2 4.36Å; V48-Y96 HydrophobicContact CG2-CD1 3.89Å; V48-Y96 HydrophobicContact CG2-CD2 3.91Å; V48-Y96 HydrophobicContact CG2-CE1 3.93Å; V48-Y96 HydrophobicContact CG2-CE2 3.94Å; V48-Y96 HydrophobicContact CG2-CG 3.88Å; H52-Y96 PolarHBondContact NE2-OH 3.16Å; A92-Y96 WeakPolarHBondContact O-CD2 3.42Å; A92-Y96 PolarHBondContact O-N 2.73Å; A93-Y96 PolarHBondContact O-N 3.24Å; Y96-R99 PolarHBondContact O-N 2.87Å; Y96-F100 WeakPolarHBondContact O-CB 3.29Å; Y96-F100 PolarHBondContact O-N 2.85Å
97V96.5Very high95.6Very high69 Ų6963.4 Ų63.442%0.41836%0.357SS..Hα-helixtrans-63.7-43.9174.6171.80000111.1F16 A93 S94 F95 F100 I101F16-V97 HydrophobicContact CE2-CG2 4.29Å; A93-V97 WeakPolarHBondContact O-CG2 3.5Å; A93-V97 PolarHBondContact O-N 3.24Å; S94-V97 PolarHBondContact O-N 3.39Å; F95-V97 VanDerWaalsContact C-N 3.34Å; V97-F100 WeakPolarHBondContact O-CB 3.14Å; V97-F100 PolarHBondContact O-N 3.47Å; V97-I101 HydrophobicContact CG1-CD1 3.79Å; V97-I101 HydrophobicContact CG1-CG1 4.4Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.21Å; V97-I101 PolarHBondContact O-N 3.49Å
98L96.8Very high95.6Very high59 Ų5962 Ų6231%0.30935%0.35SS..Hα-helixtrans-62.4-45.9175.7-69.4173.7000111.6V40 I43 S94 F95 F100 I101 G102V40-L98 HydrophobicContact CG1-CB 4.29Å; V40-L98 HydrophobicContact CG1-CD2 4.02Å; V40-L98 WeakPolarHBondContact CG1-O 3.36Å; I43-L98 HydrophobicContact CG2-CD1 3.9Å; S94-L98 WeakPolarHBondContact O-CG 3.4Å; S94-L98 PolarHBondContact O-N 3.39Å; F95-L98 PolarHBondContact O-N 2.69Å; L98-F100 VanDerWaalsContact C-N 3.31Å; L98-F100 PolarHBondContact O-N 3.4Å; L98-I101 PolarHBondContact O-N 3.45Å; L98-G102 PolarHBondContact O-N 3.25Å
99R96.3Very high95.7Very high29 Ų2957.1 Ų57.111%0.10932%0.324CS..Hα-helixtrans-54.7-48.5173.6172.5179.8171.5122.9-15.8111.1F16 G18 D45 F95 Y96 G102 R103F16-R99 PolarHBondContact O-NE 3.42Å; G18-R99 PolarHBondContact O-NH2 3.25Å; D45-R99 WeakPolarHBondContact OD1-CD 3.45Å; D45-R99 WeakPolarHBondContact OD1-CG 3.4Å; D45-R99 IonicContact OD1-CZ 2.75Å; D45-R99 IonicContact OD1-NE 2.75Å; D45-R99 IonicContact OD1-NH1 3.9Å; D45-R99 PolarHBondContact OD1-NH1 3.49Å; F95-R99 WeakPolarHBondContact O-CB 3.37Å; F95-R99 PolarHBondContact O-N 2.96Å; Y96-R99 PolarHBondContact O-N 2.87Å; R99-G102 PolarHBondContact O-N 3.08Å; R99-R103 VanDerWaalsContact CZ-NH1 3.29Å; R99-R103 VanDerWaalsContact NH2-NH1 3.14Å; R99-R103 WeakPolarHBondContact O-CB 3.46Å; R99-R103 VanDerWaalsContact O-CG 3.31Å; R99-R103 WeakPolarHBondContact O-CG 3Å; R99-R103 PolarHBondContact O-N 3.25Å
100F96.5Very high95.8Very high68 Ų6853.6 Ų53.630%0.29831%0.308SS..Hα-helixtrans-59.3-51.6177.6175.2-96.5000112.2A15 F16 Y96 V97 L98 G102 R103 V104A15-F100 HydrophobicContact CB-CD2 3.74Å; A15-F100 HydrophobicContact CB-CE2 3.86Å; F16-F100 HydrophobicContact CB-CD2 3.98Å; F16-F100 HydrophobicContact CD2-CB 3.8Å; F16-F100 HydrophobicContact CD2-CD2 4.29Å; F16-F100 HydrophobicContact CD2-CG 4.19Å; Y96-F100 WeakPolarHBondContact O-CB 3.29Å; Y96-F100 PolarHBondContact O-N 2.85Å; V97-F100 WeakPolarHBondContact O-CB 3.14Å; V97-F100 PolarHBondContact O-N 3.47Å; L98-F100 VanDerWaalsContact C-N 3.31Å; L98-F100 PolarHBondContact O-N 3.4Å; F100-G102 VanDerWaalsContact C-N 3.3Å; F100-G102 PolarHBondContact O-N 2.88Å; F100-R103 PolarHBondContact O-N 3.3Å; F100-V104 HydrophobicContact CD1-CG1 4.45Å; F100-V104 HydrophobicContact CD2-CG1 4.14Å; F100-V104 HydrophobicContact CE1-CG1 4.08Å; F100-V104 HydrophobicContact CE1-CG2 4.49Å; F100-V104 HydrophobicContact CE2-CG1 3.76Å; F100-V104 HydrophobicContact CG-CG1 4.47Å; F100-V104 HydrophobicContact CZ-CG1 3.73Å; F100-V104 WeakPolarHBondContact O-CG1 3.04Å; F100-V104 WeakPolarHBondContact O-CG2 3.45Å; F100-V104 PolarHBondContact O-N 2.93Å
101I96.2Very high95.7Very high71 Ų7150.8 Ų50.836%0.36430%0.298SS..Hα-helixtrans-58.1-43.4178.4-68.6168.7000110.8V40 V97 L98 V104 N105V40-I101 HydrophobicContact CG1-CB 4.43Å; V40-I101 HydrophobicContact CG1-CG2 4.27Å; V97-I101 HydrophobicContact CG1-CD1 3.79Å; V97-I101 HydrophobicContact CG1-CG1 4.4Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.21Å; V97-I101 PolarHBondContact O-N 3.49Å; L98-I101 PolarHBondContact O-N 3.45Å; I101-V104 WeakPolarHBondContact O-CG2 3.4Å; I101-N105 WeakPolarHBondContact O-CB 3.4Å; I101-N105 PolarHBondContact O-N 3.33Å; I101-N105 PolarHBondContact O-ND2 3.48Å
102G95.7Very high95.6Very high13 Ų1346.8 Ų46.813%0.13428%0.277CS..Hα-helixtrans-62.6-43.117800000112.8L98 R99 F100 S106L98-G102 PolarHBondContact O-N 3.25Å; R99-G102 PolarHBondContact O-N 3.08Å; F100-G102 VanDerWaalsContact C-N 3.3Å; F100-G102 PolarHBondContact O-N 2.88Å; G102-S106 PolarHBondContact O-N 2.91Å
103R96.3Very high95.6Very high0 Ų046.2 Ų46.20%027%0.271CS..Hα-helixtrans-70.6-40.9-179.5-75.9171.8173.5-159.5-5.8113.7A15 G18 P19 E41 D45 R99 F100 N105 S106 Y109A15-R103 WeakPolarHBondContact O-CD 3.02Å; A15-R103 PolarHBondContact O-NH1 2.92Å; G18-R103 PolarHBondContact O-NH1 3.44Å; P19-R103 PolarHBondContact O-NH1 3.47Å; P19-R103 PolarHBondContact O-NH2 3.47Å; E41-R103 HydrophobicContact CG-CG 4.06Å; E41-R103 VanDerWaalsContact OE1-CG 3.3Å; E41-R103 WeakPolarHBondContact OE1-CG 3.5Å; E41-R103 IonicContact OE1-NE 3.65Å; E41-R103 PolarHBondContact OE1-NE 2.92Å; D45-R103 IonicContact OD1-NH2 3.7Å; R99-R103 VanDerWaalsContact CZ-NH1 3.29Å; R99-R103 VanDerWaalsContact NH2-NH1 3.14Å; R99-R103 WeakPolarHBondContact O-CB 3.46Å; R99-R103 VanDerWaalsContact O-CG 3.31Å; R99-R103 WeakPolarHBondContact O-CG 3Å; R99-R103 PolarHBondContact O-N 3.25Å; F100-R103 PolarHBondContact O-N 3.3Å; R103-N105 PolarHBondContact O-N 2.89Å; R103-S106 PolarHBondContact O-N 2.89Å; R103-S106 VanDerWaalsContact O-N 3.17Å; R103-Y109 HydrophobicContact CB-CD1 3.64Å; R103-Y109 HydrophobicContact CB-CE1 3.81Å; R103-Y109 HydrophobicContact CB-CG 4.11Å; R103-Y109 HydrophobicContact CG-CD1 3.93Å; R103-Y109 HydrophobicContact CG-CD2 4.1Å; R103-Y109 HydrophobicContact CG-CE1 3.89Å; R103-Y109 HydrophobicContact CG-CE2 4.07Å; R103-Y109 HydrophobicContact CG-CG 4.04Å; R103-Y109 PolarHBondContact NH1-OH 2.75Å
104V94.3Very high95.5Very high54 Ų5447 Ų4733%0.32727%0.269SS..Hα-helixtrans-69.9-24.6179.6-60.70000113.1A15 F100 I101 S106 I110A15-V104 HydrophobicContact CB-CG1 4.15Å; F100-V104 HydrophobicContact CD1-CG1 4.45Å; F100-V104 HydrophobicContact CD2-CG1 4.14Å; F100-V104 HydrophobicContact CE1-CG1 4.08Å; F100-V104 HydrophobicContact CE1-CG2 4.49Å; F100-V104 HydrophobicContact CE2-CG1 3.76Å; F100-V104 HydrophobicContact CG-CG1 4.47Å; F100-V104 HydrophobicContact CZ-CG1 3.73Å; F100-V104 WeakPolarHBondContact O-CG1 3.04Å; F100-V104 WeakPolarHBondContact O-CG2 3.45Å; F100-V104 PolarHBondContact O-N 2.93Å; I101-V104 WeakPolarHBondContact O-CG2 3.4Å; V104-S106 VanDerWaalsContact C-N 3.34Å; V104-I110 HydrophobicContact CB-CD1 4.5Å
105N94.6Very high95.3Very high124 Ų12446 Ų4666%0.66326%0.26SS*.THydrogen-bonded Turntrans-88.92.4175-70.7-52.5000113.4I101 R103 P107I101-N105 WeakPolarHBondContact O-CB 3.4Å; I101-N105 PolarHBondContact O-N 3.33Å; I101-N105 PolarHBondContact O-ND2 3.48Å; R103-N105 PolarHBondContact O-N 2.89Å; N105-P107 WeakPolarHBondContact O-CD 3.37Å
106S95.3Very high95.1Very high18 Ų1843.8 Ų43.813%0.12625%0.25CS..  trans-99.8110.2178.3174.40000110.5Y35 G102 R103 V104 A108 Y109 I110Y35-S106 WeakPolarHBondContact CE2-OG 3.15Å; Y35-S106 VanDerWaalsContact OH-CB 3.29Å; Y35-S106 WeakPolarHBondContact OH-CB 3.07Å; Y35-S106 PolarHBondContact OH-OG 3.28Å; G102-S106 PolarHBondContact O-N 2.91Å; R103-S106 PolarHBondContact O-N 2.89Å; R103-S106 VanDerWaalsContact O-N 3.17Å; V104-S106 VanDerWaalsContact C-N 3.34Å; S106-A108 VanDerWaalsContact C-N 3.27Å; S106-A108 PolarHBondContact O-N 2.71Å; S106-Y109 PolarHBondContact O-N 3.42Å; S106-Y109 PolarHBondContact OG-N 3.2Å; S106-I110 WeakPolarHBondContact O-CG1 3.42Å; S106-I110 PolarHBondContact O-N 2.99Å
107P94.8Very high94.9Very high112 Ų11242.5 Ų42.573%0.72725%0.248SC*.Hα-helixtrans-59.5-37.4-179.7-25.234.7000113.1N105 I110 S111N105-P107 WeakPolarHBondContact O-CD 3.37Å; P107-I110 PolarHBondContact O-N 2.64Å; P107-S111 WeakPolarHBondContact O-CB 3.28Å; P107-S111 PolarHBondContact O-N 3.46Å
108A94.4Very high94.6Very high47 Ų4741.8 Ų41.839%0.38824%0.24SC..Hα-helixtrans-66.4-43.617800000111.6Y35 S106 S111 F112Y35-A108 HydrophobicContact CD2-CB 4.21Å; Y35-A108 HydrophobicContact CE2-CB 4.06Å; S106-A108 VanDerWaalsContact C-N 3.27Å; S106-A108 PolarHBondContact O-N 2.71Å; A108-S111 PolarHBondContact O-N 3.35Å; A108-F112 PolarHBondContact O-N 2.97Å; A108-F112 VanDerWaalsContact O-N 3.1Å
109Y96.1Very high94.3Very high0 Ų039 Ų390%023%0.225CC..Hα-helixtrans-67.6-40.5176.9-166-85.4000111.7P19 L21 Y35 R103 S106 S111 F112 L113P19-Y109 PolarHBondContact O-OH 3.33Å; L21-Y109 HydrophobicContact CB-CD2 3.89Å; L21-Y109 HydrophobicContact CB-CE2 3.99Å; L21-Y109 HydrophobicContact CD2-CD2 4.35Å; Y35-Y109 HydrophobicContact CE1-CD2 4.42Å; R103-Y109 HydrophobicContact CB-CD1 3.64Å; R103-Y109 HydrophobicContact CB-CE1 3.81Å; R103-Y109 HydrophobicContact CB-CG 4.11Å; R103-Y109 HydrophobicContact CG-CD1 3.93Å; R103-Y109 HydrophobicContact CG-CD2 4.1Å; R103-Y109 HydrophobicContact CG-CE1 3.89Å; R103-Y109 HydrophobicContact CG-CE2 4.07Å; R103-Y109 HydrophobicContact CG-CG 4.04Å; R103-Y109 PolarHBondContact NH1-OH 2.75Å; S106-Y109 PolarHBondContact O-N 3.42Å; S106-Y109 PolarHBondContact OG-N 3.2Å; Y109-S111 VanDerWaalsContact C-N 3.34Å; Y109-S111 PolarHBondContact O-N 3.39Å; Y109-F112 HydrophobicContact CD2-CD1 4.3Å; Y109-F112 HydrophobicContact CE2-CD1 4.13Å; Y109-F112 HydrophobicContact CE2-CE1 4.19Å; Y109-F112 WeakPolarHBondContact O-CB 3.31Å; Y109-F112 PolarHBondContact O-N 2.85Å; Y109-L113 HydrophobicContact CD1-CB 4.45Å; Y109-L113 HydrophobicContact CE1-CB 4.41Å; Y109-L113 HydrophobicContact CE1-CD1 4.34Å; Y109-L113 VanDerWaalsContact O-CB 3.23Å; Y109-L113 WeakPolarHBondContact O-CB 3.41Å; Y109-L113 PolarHBondContact O-N 3.31Å
110I94.9Very high94Very high55 Ų5541.7 Ų41.728%0.28224%0.241SC..Hα-helixtrans-61.6-41.3175.3-71.8-59.7000111.7V104 S106 P107 L113 N114V104-I110 HydrophobicContact CB-CD1 4.5Å; S106-I110 WeakPolarHBondContact O-CG1 3.42Å; S106-I110 PolarHBondContact O-N 2.99Å; P107-I110 PolarHBondContact O-N 2.64Å; I110-L113 HydrophobicContact CD1-CD2 4.22Å; I110-L113 PolarHBondContact O-N 2.99Å; I110-N114 VanDerWaalsContact O-CG 3.24Å; I110-N114 PolarHBondContact O-N 2.98Å; I110-N114 PolarHBondContact O-ND2 3.14Å; I110-N114 VanDerWaalsContact O-ND2 3.12Å
111S93.7Very high93.5Very high61 Ų6142.3 Ų42.343%0.42725%0.245SC..Hα-helixtrans-58.6-52.2174.8-176.90000111.3P107 A108 Y109 L113 N114 D115P107-S111 WeakPolarHBondContact O-CB 3.28Å; P107-S111 PolarHBondContact O-N 3.46Å; A108-S111 PolarHBondContact O-N 3.35Å; Y109-S111 VanDerWaalsContact C-N 3.34Å; Y109-S111 PolarHBondContact O-N 3.39Å; S111-L113 VanDerWaalsContact C-N 3.35Å; S111-L113 PolarHBondContact O-N 3.39Å; S111-N114 WeakPolarHBondContact O-CB 3.4Å; S111-N114 PolarHBondContact O-N 2.56Å; S111-D115 PolarHBondContact O-N 3.49Å
112F95.5Very high92.7Very high0 Ų044.1 Ų44.10%026%0.262CS..Hα-helixtrans-55.2-47173.6160.3-111.9000112.8P19 L21 A108 Y109 N114 D115 L116 M131 Y134 Y136P19-F112 HydrophobicContact CB-CZ 4.48Å; P19-F112 HydrophobicContact CG-CE1 3.93Å; P19-F112 HydrophobicContact CG-CZ 3.72Å; L21-F112 HydrophobicContact CB-CD1 4.2Å; L21-F112 HydrophobicContact CB-CE1 4.32Å; L21-F112 HydrophobicContact CD1-CB 4.31Å; L21-F112 HydrophobicContact CD1-CD1 4.17Å; L21-F112 HydrophobicContact CD1-CD2 3.94Å; L21-F112 HydrophobicContact CD1-CE1 4.48Å; L21-F112 HydrophobicContact CD1-CE2 4.26Å; L21-F112 HydrophobicContact CD1-CG 3.87Å; L21-F112 HydrophobicContact CD2-CB 3.95Å; L21-F112 HydrophobicContact CD2-CD1 4.26Å; L21-F112 HydrophobicContact CD2-CG 4.17Å; L21-F112 HydrophobicContact CG-CD1 4.45Å; L21-F112 HydrophobicContact CG-CG 4.48Å; A108-F112 PolarHBondContact O-N 2.97Å; A108-F112 VanDerWaalsContact O-N 3.1Å; Y109-F112 HydrophobicContact CD2-CD1 4.3Å; Y109-F112 HydrophobicContact CE2-CD1 4.13Å; Y109-F112 HydrophobicContact CE2-CE1 4.19Å; Y109-F112 WeakPolarHBondContact O-CB 3.31Å; Y109-F112 PolarHBondContact O-N 2.85Å; F112-N114 VanDerWaalsContact C-N 3.29Å; F112-N114 PolarHBondContact O-N 3.26Å; F112-D115 PolarHBondContact O-N 3.03Å; F112-L116 HydrophobicContact CE1-CD2 4.28Å; F112-L116 HydrophobicContact CE2-CB 4.31Å; F112-L116 HydrophobicContact CE2-CD2 4.43Å; F112-L116 HydrophobicContact CZ-CB 4.46Å; F112-L116 HydrophobicContact CZ-CD2 3.84Å; F112-L116 WeakPolarHBondContact O-CB 3.48Å; F112-L116 PolarHBondContact O-N 3.13Å; F112-M131 HydrophobicContact CD2-CE 4.05Å; F112-M131 HydrophobicContact CE2-CE 3.66Å; F112-Y134 HydrophobicContact CB-CD1 3.89Å; F112-Y134 HydrophobicContact CB-CE1 3.69Å; F112-Y134 AromaticContact CD2-CD1 3.71Å; F112-Y134 HydrophobicContact CD2-CD1 3.71Å; F112-Y134 HydrophobicContact CD2-CD2 4.04Å; F112-Y134 HydrophobicContact CD2-CE1 4.21Å; F112-Y134 AromaticContact CD2-CG 3.61Å; F112-Y134 HydrophobicContact CD2-CG 3.61Å; F112-Y134 HydrophobicContact CE2-CG 4.3Å; F112-Y134 HydrophobicContact CG-CD1 4.2Å; F112-Y134 HydrophobicContact CG-CE1 4.44Å; F112-Y136 AromaticContact CE2-CD1 3.75Å; F112-Y136 HydrophobicContact CE2-CD1 3.75Å; F112-Y136 AromaticContact CE2-CD2 3.88Å; F112-Y136 HydrophobicContact CE2-CD2 3.88Å; F112-Y136 HydrophobicContact CE2-CE1 4.17Å; F112-Y136 HydrophobicContact CE2-CE2 4.24Å; F112-Y136 AromaticContact CE2-CG 3.6Å; F112-Y136 HydrophobicContact CE2-CG 3.6Å; F112-Y136 HydrophobicContact CZ-CD1 4.28Å; F112-Y136 AromaticContact CZ-CD2 3.65Å; F112-Y136 HydrophobicContact CZ-CD2 3.65Å; F112-Y136 HydrophobicContact CZ-CE2 4.25Å; F112-Y136 AromaticContact CZ-CG 3.64Å; F112-Y136 HydrophobicContact CZ-CG 3.64Å
113L94.4Very high91.9Very high5 Ų550.8 Ų50.83%0.02629%0.294CS..Hα-helixtrans-62.2-37.9-178.4-174.467.8000111.9K11 L14 A15 Y109 I110 S111 S117K11-L113 HydrophobicContact CB-CD2 4.32Å; L14-L113 HydrophobicContact CB-CD1 3.41Å; L14-L113 VanDerWaalsContact CB-CD1 3.41Å; L14-L113 HydrophobicContact CD1-CD1 4.25Å; L14-L113 HydrophobicContact CG-CD1 4.47Å; A15-L113 HydrophobicContact CB-CD2 3.99Å; Y109-L113 HydrophobicContact CD1-CB 4.45Å; Y109-L113 HydrophobicContact CE1-CB 4.41Å; Y109-L113 HydrophobicContact CE1-CD1 4.34Å; Y109-L113 VanDerWaalsContact O-CB 3.23Å; Y109-L113 WeakPolarHBondContact O-CB 3.41Å; Y109-L113 PolarHBondContact O-N 3.31Å; I110-L113 HydrophobicContact CD1-CD2 4.22Å; I110-L113 PolarHBondContact O-N 2.99Å; S111-L113 VanDerWaalsContact C-N 3.35Å; S111-L113 PolarHBondContact O-N 3.39Å; L113-S117 WeakPolarHBondContact O-CB 3.47Å; L113-S117 PolarHBondContact O-N 3.47Å; L113-S117 PolarHBondContact O-OG 2.86Å
114N92.6Very high91.2Very high63 Ų6355.7 Ų55.734%0.33731%0.313SS..Hα-helixtrans-62.4-49.8175.7-74.3-36.5000110.6K11 I110 S111 F112 S117 E118K11-N114 PolarHBondContact NZ-OD1 2.99Å; I110-N114 VanDerWaalsContact O-CG 3.24Å; I110-N114 PolarHBondContact O-N 2.98Å; I110-N114 PolarHBondContact O-ND2 3.14Å; I110-N114 VanDerWaalsContact O-ND2 3.12Å; S111-N114 WeakPolarHBondContact O-CB 3.4Å; S111-N114 PolarHBondContact O-N 2.56Å; F112-N114 VanDerWaalsContact C-N 3.29Å; F112-N114 PolarHBondContact O-N 3.26Å; N114-S117 PolarHBondContact O-N 3Å; N114-S117 PolarHBondContact O-OG 2.83Å; N114-E118 PolarHBondContact O-N 2.88Å; N114-E118 VanDerWaalsContact O-N 3.14Å
115D93Very high90.3Very high28 Ų2857.8 Ų57.815%0.1533%0.327CS..Hα-helixtrans-62.1-45.7177.7-86.5-19.7000112S111 F112 S117 E118 A119 R130 M131 Y134S111-D115 PolarHBondContact O-N 3.49Å; F112-D115 PolarHBondContact O-N 3.03Å; D115-S117 PolarHBondContact O-N 3.35Å; D115-E118 PolarHBondContact O-N 2.97Å; D115-A119 WeakPolarHBondContact O-CB 3.47Å; D115-A119 PolarHBondContact O-N 3.21Å; D115-R130 IonicContact OD1-CZ 3.71Å; D115-R130 IonicContact OD1-NE 3.69Å; D115-R130 PolarHBondContact OD1-NE 3.21Å; D115-R130 IonicContact OD1-NH2 2.61Å; D115-R130 PolarHBondContact OD1-NH2 2.97Å; D115-R130 IonicContact OD2-NE 4Å; D115-M131 HydrophobicContact CB-SD 4.1Å; D115-Y134 HydrophobicContact CB-CE2 4Å; D115-Y134 WeakPolarHBondContact OD2-CE2 3.39Å; D115-Y134 PolarHBondContact OD2-OH 3.31Å; D115-Y134 VanDerWaalsContact OD2-OH 3.06Å
116L94Very high89.5Confident0 Ų055.3 Ų55.30%032%0.324CS..Hα-helixtrans-61.1-46177.6178.263.6000111.9P19 F112 E118 A119 L120 M131 Y136P19-L116 HydrophobicContact CG-CD2 3.45Å; P19-L116 VanDerWaalsContact CG-CD2 3.45Å; F112-L116 HydrophobicContact CE1-CD2 4.28Å; F112-L116 HydrophobicContact CE2-CB 4.31Å; F112-L116 HydrophobicContact CE2-CD2 4.43Å; F112-L116 HydrophobicContact CZ-CB 4.46Å; F112-L116 HydrophobicContact CZ-CD2 3.84Å; F112-L116 WeakPolarHBondContact O-CB 3.48Å; F112-L116 PolarHBondContact O-N 3.13Å; L116-E118 PolarHBondContact O-N 3.17Å; L116-A119 PolarHBondContact O-N 3.3Å; L116-L120 HydrophobicContact CD1-CD1 4.11Å; L116-L120 HydrophobicContact CD1-CG 4.08Å; L116-L120 HydrophobicContact CG-CD1 4.03Å; L116-L120 HydrophobicContact CG-CG 4.43Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 2.86Å; L116-M131 HydrophobicContact CB-CE 3.87Å; L116-M131 HydrophobicContact CB-SD 4.39Å; L116-M131 HydrophobicContact CD1-CE 3.91Å; L116-M131 HydrophobicContact CG-CE 4.47Å; L116-Y136 HydrophobicContact CD1-CE2 4.16Å
117S91.5Very high88.7Confident17 Ų1754.8 Ų54.812%0.11932%0.32CS..Hα-helixtrans-62.6-29.9-179.773.20000112.8K11 L113 N114 D115K11-S117 VanDerWaalsContact CE-OG 3.24Å; K11-S117 WeakPolarHBondContact CE-OG 3.36Å; L113-S117 WeakPolarHBondContact O-CB 3.47Å; L113-S117 PolarHBondContact O-N 3.47Å; L113-S117 PolarHBondContact O-OG 2.86Å; N114-S117 PolarHBondContact O-N 3Å; N114-S117 PolarHBondContact O-OG 2.83Å; D115-S117 PolarHBondContact O-N 3.35Å
118E90.5Very high88.2Confident53 Ų5351.4 Ų51.425%0.24829%0.294CS..Hα-helixtrans-80.6-39.8174.8-172.7-179.2-164.500111N114 D115 L116 L120 Q121 R124 V127 R130N114-E118 PolarHBondContact O-N 2.88Å; N114-E118 VanDerWaalsContact O-N 3.14Å; D115-E118 PolarHBondContact O-N 2.97Å; L116-E118 PolarHBondContact O-N 3.17Å; E118-L120 VanDerWaalsContact C-N 3.3Å; E118-L120 PolarHBondContact O-N 3.28Å; E118-Q121 WeakPolarHBondContact O-CB 3.24Å; E118-Q121 PolarHBondContact O-N 2.71Å; E118-Q121 VanDerWaalsContact O-N 3.08Å; E118-R124 IonicContact OE1-CZ 2.71Å; E118-R124 IonicContact OE1-NH1 3.18Å; E118-R124 PolarHBondContact OE1-NH1 2.87Å; E118-V127 HydrophobicContact CB-CG1 3.9Å; E118-V127 HydrophobicContact CG-CB 4.33Å; E118-V127 HydrophobicContact CG-CG1 3.87Å; E118-V127 HydrophobicContact CG-CG2 3.97Å; E118-R130 IonicContact OE2-CZ 3.89Å; E118-R130 IonicContact OE2-NH2 3.29Å; E118-R130 PolarHBondContact OE2-NH2 2.81Å
119A90.8Very high87.7Confident0 Ų053.5 Ų53.50%030%0.296CS..Hα-helixtrans-64.1-32.5178.500000113.5D115 L116 Q121 V127 K128 M131 P142D115-A119 WeakPolarHBondContact O-CB 3.47Å; D115-A119 PolarHBondContact O-N 3.21Å; L116-A119 PolarHBondContact O-N 3.3Å; A119-Q121 PolarHBondContact O-N 3.14Å; A119-V127 HydrophobicContact CB-CG1 3.98Å; A119-K128 HydrophobicContact CB-CG 4.37Å; A119-K128 WeakPolarHBondContact O-CE 3.2Å; A119-K128 WeakPolarHBondContact O-CG 3.48Å; A119-M131 HydrophobicContact CB-CG 3.63Å; A119-M131 HydrophobicContact CB-SD 3.8Å; A119-P142 HydrophobicContact CB-CB 4.48Å; A119-P142 HydrophobicContact CB-CG 4.03Å
120L89.7Confident87.3Confident86 Ų8657.8 Ų57.845%0.4531%0.312SS..THydrogen-bonded Turntrans-72.8-9.9175.5-71.1171.7000113.2L14 L116 E118 P142L14-L120 HydrophobicContact CD1-CD1 4.1Å; L14-L120 HydrophobicContact CD2-CD1 4.31Å; L116-L120 HydrophobicContact CD1-CD1 4.11Å; L116-L120 HydrophobicContact CD1-CG 4.08Å; L116-L120 HydrophobicContact CG-CD1 4.03Å; L116-L120 HydrophobicContact CG-CG 4.43Å; L116-L120 WeakPolarHBondContact O-CG 3.49Å; L116-L120 PolarHBondContact O-N 2.86Å; E118-L120 VanDerWaalsContact C-N 3.3Å; E118-L120 PolarHBondContact O-N 3.28Å; L120-P142 HydrophobicContact CD2-CB 4.27Å
121Q86.2Confident87.3Confident81 Ų8155.2 Ų55.238%0.37930%0.299SS..SBendtrans-74.8144173.9-60.9-177800110.9E118 A119 R124E118-Q121 WeakPolarHBondContact O-CB 3.24Å; E118-Q121 PolarHBondContact O-N 2.71Å; E118-Q121 VanDerWaalsContact O-N 3.08Å; A119-Q121 PolarHBondContact O-N 3.14Å; Q121-R124 HydrophobicContact CB-CG 4.14Å
122P79.4Confident87.2Confident110 Ų11052.9 Ų52.971%0.71428%0.281SS*.THydrogen-bonded Turntrans-56.1149.8171.9-23.133.2000112R124P122-R124 PolarHBondContact O-N 3.47Å
123N78.1Confident87.1Confident152 Ų15255 Ų5581%0.81329%0.292SS*.THydrogen-bonded Turntrans59.832.8172.9-58.2-18.5000115.9P125N123-P125 WeakPolarHBondContact O-CD 3.41Å
124R81.2Confident87.1Confident104 Ų10456.2 Ų56.239%0.39230%0.296SS..  trans-116.160.7174.6-64-59.6-165.61187.5113.7E118 Q121 P122 A126 V127 K128E118-R124 IonicContact OE1-CZ 2.71Å; E118-R124 IonicContact OE1-NH1 3.18Å; E118-R124 PolarHBondContact OE1-NH1 2.87Å; Q121-R124 HydrophobicContact CB-CG 4.14Å; P122-R124 PolarHBondContact O-N 3.47Å; R124-A126 PolarHBondContact O-N 3.18Å; R124-V127 HydrophobicContact CB-CB 4.2Å; R124-V127 HydrophobicContact CB-CG2 4.25Å; R124-V127 PolarHBondContact O-N 3.07Å; R124-K128 WeakPolarHBondContact O-CG 3.35Å; R124-K128 PolarHBondContact O-N 2.92Å; R124-K128 VanDerWaalsContact O-N 3.07Å
125P76.1Confident87.1Confident98 Ų9855 Ų5564%0.63629%0.29SS*.Hα-helixtrans-61.5-41.2-174.225.4-34.2000113.3N123 V127 K128 H129N123-P125 WeakPolarHBondContact O-CD 3.41Å; P125-V127 VanDerWaalsContact C-N 3.27Å; P125-V127 PolarHBondContact O-N 3.11Å; P125-K128 WeakPolarHBondContact O-CB 3.33Å; P125-K128 PolarHBondContact O-N 3.27Å; P125-H129 PolarHBondContact O-N 2.63Å
126A76.7Confident87.2Confident72 Ų7254 Ų5460%0.59528%0.284SS*.Hα-helixtrans-61-36178.700000112.7R124 H129 R130R124-A126 PolarHBondContact O-N 3.18Å; A126-H129 PolarHBondContact O-N 3.44Å; A126-R130 PolarHBondContact O-N 3.4Å
127V80Confident87.1Confident7 Ų756.2 Ų56.24%0.04230%0.296CS..Hα-helixtrans-77.6-36.8179.8-1730000111.1E118 A119 R124 P125 H129 R130 M131E118-V127 HydrophobicContact CB-CG1 3.9Å; E118-V127 HydrophobicContact CG-CB 4.33Å; E118-V127 HydrophobicContact CG-CG1 3.87Å; E118-V127 HydrophobicContact CG-CG2 3.97Å; A119-V127 HydrophobicContact CB-CG1 3.98Å; R124-V127 HydrophobicContact CB-CB 4.2Å; R124-V127 HydrophobicContact CB-CG2 4.25Å; R124-V127 PolarHBondContact O-N 3.07Å; P125-V127 VanDerWaalsContact C-N 3.27Å; P125-V127 PolarHBondContact O-N 3.11Å; V127-H129 PolarHBondContact O-N 3.36Å; V127-R130 WeakPolarHBondContact O-CB 3.16Å; V127-R130 PolarHBondContact O-N 3.41Å; V127-M131 PolarHBondContact O-N 3.2Å
128K83.5Confident87.3Confident40 Ų4055.5 Ų55.517%0.17429%0.291CS..Hα-helixtrans-56.3-41.9170.1-67-179.7-177.8-173.20111.3A119 R124 P125 R130 M131 P142 V143 E144A119-K128 HydrophobicContact CB-CG 4.37Å; A119-K128 WeakPolarHBondContact O-CE 3.2Å; A119-K128 WeakPolarHBondContact O-CG 3.48Å; R124-K128 WeakPolarHBondContact O-CG 3.35Å; R124-K128 PolarHBondContact O-N 2.92Å; R124-K128 VanDerWaalsContact O-N 3.07Å; P125-K128 WeakPolarHBondContact O-CB 3.33Å; P125-K128 PolarHBondContact O-N 3.27Å; K128-R130 VanDerWaalsContact C-N 3.32Å; K128-R130 PolarHBondContact O-N 3.31Å; K128-M131 VanDerWaalsContact O-CB 3.24Å; K128-M131 WeakPolarHBondContact O-CB 3.27Å; K128-M131 WeakPolarHBondContact O-CG 3.45Å; K128-M131 PolarHBondContact O-N 3.33Å; K128-M131 VanDerWaalsContact O-N 3.08Å; K128-P142 HydrophobicContact CB-CG 4.24Å; K128-P142 HydrophobicContact CD-CB 4.28Å; K128-P142 HydrophobicContact CG-CB 4.02Å; K128-P142 HydrophobicContact CG-CG 3.95Å; K128-V143 PolarHBondContact NZ-O 3.15Å; K128-E144 HydrophobicContact CB-CG 4.04Å; K128-E144 HydrophobicContact CD-CG 4.26Å
129H83.3Confident87.3Confident92 Ų9256.4 Ų56.443%0.42630%0.303SS..Hα-helixtrans-64.7-32.1175.6-171.1-85.6000113.1P125 A126 V127 M131 Q132P125-H129 PolarHBondContact O-N 2.63Å; A126-H129 PolarHBondContact O-N 3.44Å; V127-H129 PolarHBondContact O-N 3.36Å; H129-M131 PolarHBondContact O-N 3.43Å; H129-Q132 PolarHBondContact NE2-OE1 2.85Å; H129-Q132 WeakPolarHBondContact O-CB 3.48Å; H129-Q132 WeakPolarHBondContact O-CG 3.38Å; H129-Q132 PolarHBondContact O-N 3.39Å
130R89.3Confident87.4Confident89 Ų8959 Ų5934%0.33632%0.315SS..Hα-helixtrans-62.2-24.8173.5-64.1-159.2-58.8-113.52.9112.7D115 E118 A126 V127 K128 Q132 L133D115-R130 IonicContact OD1-CZ 3.71Å; D115-R130 IonicContact OD1-NE 3.69Å; D115-R130 PolarHBondContact OD1-NE 3.21Å; D115-R130 IonicContact OD1-NH2 2.61Å; D115-R130 PolarHBondContact OD1-NH2 2.97Å; D115-R130 IonicContact OD2-NE 4Å; E118-R130 IonicContact OE2-CZ 3.89Å; E118-R130 IonicContact OE2-NH2 3.29Å; E118-R130 PolarHBondContact OE2-NH2 2.81Å; A126-R130 PolarHBondContact O-N 3.4Å; V127-R130 WeakPolarHBondContact O-CB 3.16Å; V127-R130 PolarHBondContact O-N 3.41Å; K128-R130 VanDerWaalsContact C-N 3.32Å; K128-R130 PolarHBondContact O-N 3.31Å; R130-Q132 PolarHBondContact O-N 3.49Å; R130-L133 WeakPolarHBondContact O-CB 3.39Å; R130-L133 WeakPolarHBondContact O-CG 3.19Å; R130-L133 PolarHBondContact O-N 2.79Å
131M93.8Very high87.7Confident1 Ų155.6 Ų55.61%0.00530%0.297CS..G310 helixtrans-60.8-18.9177-59.1-49.4-56.100113.2F112 D115 L116 A119 V127 K128 H129 L133 Y134 Y136 P142F112-M131 HydrophobicContact CD2-CE 4.05Å; F112-M131 HydrophobicContact CE2-CE 3.66Å; D115-M131 HydrophobicContact CB-SD 4.1Å; L116-M131 HydrophobicContact CB-CE 3.87Å; L116-M131 HydrophobicContact CB-SD 4.39Å; L116-M131 HydrophobicContact CD1-CE 3.91Å; L116-M131 HydrophobicContact CG-CE 4.47Å; A119-M131 HydrophobicContact CB-CG 3.63Å; A119-M131 HydrophobicContact CB-SD 3.8Å; V127-M131 PolarHBondContact O-N 3.2Å; K128-M131 VanDerWaalsContact O-CB 3.24Å; K128-M131 WeakPolarHBondContact O-CB 3.27Å; K128-M131 WeakPolarHBondContact O-CG 3.45Å; K128-M131 PolarHBondContact O-N 3.33Å; K128-M131 VanDerWaalsContact O-N 3.08Å; H129-M131 PolarHBondContact O-N 3.43Å; M131-L133 PolarHBondContact O-N 2.86Å; M131-L133 VanDerWaalsContact O-N 3.14Å; M131-Y134 HydrophobicContact CE-CD2 4.04Å; M131-Y134 PolarHBondContact O-N 3.49Å; M131-Y134 VanDerWaalsContact O-N 3.09Å; M131-Y134 HydrophobicContact SD-CD2 4.47Å; M131-Y136 HydrophobicContact CB-CE1 4.37Å; M131-Y136 HydrophobicContact CE-CD1 4.48Å; M131-Y136 HydrophobicContact CE-CE1 3.67Å; M131-Y136 HydrophobicContact CE-CE2 4.33Å; M131-Y136 WeakPolarHBondContact CE-OH 3.49Å; M131-P142 HydrophobicContact CG-CG 4.09Å
132Q91.3Very high88.1Confident13 Ų1352 Ų526%0.06128%0.28CS..G310 helixtrans-65.3-9.4172.3-61.9-175-4.300114.2R25 R28 H129 R130 Y134 S244R25-Q132 PolarHBondContact NE-O 2.85Å; R25-Q132 PolarHBondContact NH2-O 3.44Å; R28-Q132 VanDerWaalsContact NH1-OE1 3.14Å; H129-Q132 PolarHBondContact NE2-OE1 2.85Å; H129-Q132 WeakPolarHBondContact O-CB 3.48Å; H129-Q132 WeakPolarHBondContact O-CG 3.38Å; H129-Q132 PolarHBondContact O-N 3.39Å; R130-Q132 PolarHBondContact O-N 3.49Å; Q132-Y134 VanDerWaalsContact C-N 3.34Å; Q132-S244 VanDerWaalsContact NE2-CB 3.33Å; Q132-S244 PolarHBondContact NE2-OG 3.19Å; Q132-S244 PolarHBondContact OE1-OG 3.28Å
133L93.4Very high88.8Confident43 Ų4348 Ų4823%0.22525%0.254CS..G310 helixtrans-86.9-6.1174.4-58.6-179.3000112.9S24 R25 R130 M131S24-L133 CarbonylContact C-O 3.53Å; S24-L133 VanDerWaalsContact CA-O 3.28Å; S24-L133 WeakPolarHBondContact CA-O 3.36Å; R25-L133 HydrophobicContact CG-CB 4.48Å; R25-L133 HydrophobicContact CG-CD2 4.2Å; R25-L133 PolarHBondContact N-O 3.23Å; R130-L133 WeakPolarHBondContact O-CB 3.39Å; R130-L133 WeakPolarHBondContact O-CG 3.19Å; R130-L133 PolarHBondContact O-N 2.79Å; M131-L133 PolarHBondContact O-N 2.86Å; M131-L133 VanDerWaalsContact O-N 3.14Å
134Y94.9Very high89.5Confident31 Ų3142.8 Ų42.812%0.12223%0.225CC..EExtended strand (participates in β ladder)trans-118.6140.9-179-58.9-78.7000110.5L21 F112 D115 M131 Q132L21-Y134 HydrophobicContact CD1-CD1 4.04Å; F112-Y134 HydrophobicContact CB-CD1 3.89Å; F112-Y134 HydrophobicContact CB-CE1 3.69Å; F112-Y134 AromaticContact CD2-CD1 3.71Å; F112-Y134 HydrophobicContact CD2-CD1 3.71Å; F112-Y134 HydrophobicContact CD2-CD2 4.04Å; F112-Y134 HydrophobicContact CD2-CE1 4.21Å; F112-Y134 AromaticContact CD2-CG 3.61Å; F112-Y134 HydrophobicContact CD2-CG 3.61Å; F112-Y134 HydrophobicContact CE2-CG 4.3Å; F112-Y134 HydrophobicContact CG-CD1 4.2Å; F112-Y134 HydrophobicContact CG-CE1 4.44Å; D115-Y134 HydrophobicContact CB-CE2 4Å; D115-Y134 WeakPolarHBondContact OD2-CE2 3.39Å; D115-Y134 PolarHBondContact OD2-OH 3.31Å; D115-Y134 VanDerWaalsContact OD2-OH 3.06Å; M131-Y134 HydrophobicContact CE-CD2 4.04Å; M131-Y134 PolarHBondContact O-N 3.49Å; M131-Y134 VanDerWaalsContact O-N 3.09Å; M131-Y134 HydrophobicContact SD-CD2 4.47Å; Q132-Y134 VanDerWaalsContact C-N 3.34Å
135D93.1Very high90.1Very high38 Ų3838.9 Ų38.920%0.20321%0.21CC..EExtended strand (participates in β ladder)trans-106.4117.2165.5-178.121.2000107.9Y22 G23 F32Y22-D135 WeakPolarHBondContact CA-O 3.43Å; Y22-D135 WeakPolarHBondContact CB-O 3.42Å; Y22-D135 PolarHBondContact N-O 2.6Å; G23-D135 PolarHBondContact N-O 3Å; G23-D135 PolarHBondContact O-N 3.19Å; F32-D135 HydrophobicContact CD1-CB 3.93Å; F32-D135 HydrophobicContact CE1-CB 3.9Å; F32-D135 HydrophobicContact CG-CB 4.31Å; F32-D135 HydrophobicContact CZ-CB 4.25Å
136Y94.8Very high91Very high8 Ų839.6 Ų39.63%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-155.5170.9-17165.7-78.2000110.8P19 Q20 Y22 F112 L116 M131 F138 H141 P142P19-Y136 HydrophobicContact CB-CD2 4.01Å; P19-Y136 HydrophobicContact CG-CD2 4.12Å; Q20-Y136 CarbonylContact O-C 3.52Å; Q20-Y136 WeakPolarHBondContact O-CA 3.19Å; Q20-Y136 VanDerWaalsContact O-CB 3.23Å; Q20-Y136 WeakPolarHBondContact O-CB 3.17Å; Y22-Y136 VanDerWaalsContact CE2-C 3.46Å; F112-Y136 AromaticContact CE2-CD1 3.75Å; F112-Y136 HydrophobicContact CE2-CD1 3.75Å; F112-Y136 AromaticContact CE2-CD2 3.88Å; F112-Y136 HydrophobicContact CE2-CD2 3.88Å; F112-Y136 HydrophobicContact CE2-CE1 4.17Å; F112-Y136 HydrophobicContact CE2-CE2 4.24Å; F112-Y136 AromaticContact CE2-CG 3.6Å; F112-Y136 HydrophobicContact CE2-CG 3.6Å; F112-Y136 HydrophobicContact CZ-CD1 4.28Å; F112-Y136 AromaticContact CZ-CD2 3.65Å; F112-Y136 HydrophobicContact CZ-CD2 3.65Å; F112-Y136 HydrophobicContact CZ-CE2 4.25Å; F112-Y136 AromaticContact CZ-CG 3.64Å; F112-Y136 HydrophobicContact CZ-CG 3.64Å; L116-Y136 HydrophobicContact CD1-CE2 4.16Å; M131-Y136 HydrophobicContact CB-CE1 4.37Å; M131-Y136 HydrophobicContact CE-CD1 4.48Å; M131-Y136 HydrophobicContact CE-CE1 3.67Å; M131-Y136 HydrophobicContact CE-CE2 4.33Å; M131-Y136 WeakPolarHBondContact CE-OH 3.49Å; Y136-F138 PolarHBondContact O-N 3.14Å; Y136-H141 AromaticContact CE1-ND1 3.8Å; Y136-H141 HydrophobicContact CE2-CB 4.33Å; Y136-H141 AromaticContact CZ-ND1 3.42Å; Y136-H141 WeakPolarHBondContact OH-CA 3.43Å; Y136-H141 PolarHBondContact OH-ND1 2.93Å; Y136-P142 WeakPolarHBondContact OH-CD 3.5Å
137D92.8Very high91.9Very high45 Ų4538.4 Ų38.424%0.24118%0.183CC..  trans-56.1108.3176.9174.99.2000111.3P19 Q20 S139 H140P19-D137 HydrophobicContact CB-CB 3.79Å; Q20-D137 PolarHBondContact O-N 3.48Å; D137-S139 PolarHBondContact O-N 2.97Å; D137-S139 VanDerWaalsContact O-N 3.1Å; D137-S139 WeakPolarHBondContact OD1-CB 3.32Å; D137-S139 PolarHBondContact OD1-N 3.39Å; D137-S139 PolarHBondContact OD1-OG 3.24Å; D137-S139 PolarHBondContact OD2-OG 3.16Å; D137-H140 PolarHBondContact O-N 3.35Å; D137-H140 VanDerWaalsContact O-N 3.15Å; D137-H140 IonicContact OD2-ND1 3.19Å
138F94Very high92.4Very high3 Ų342.3 Ų42.31%0.01320%0.2CC..G310 helixtrans-63.6-19.1-172.9-167.4-106.5000113.2Y136 H140 H141 R245 K247 D257 H311Y136-F138 PolarHBondContact O-N 3.14Å; F138-H140 PolarHBondContact O-N 3.19Å; F138-H140 VanDerWaalsContact O-N 3.08Å; F138-H141 HydrophobicContact CD2-CB 3.51Å; F138-H141 AromaticContact CD2-CG 3.7Å; F138-H141 HydrophobicContact CE2-CB 3.64Å; F138-H141 AromaticContact CE2-CD2 3.61Å; F138-H141 AromaticContact CE2-CG 3.44Å; F138-H141 VanDerWaalsContact CE2-CG 3.44Å; F138-H141 AromaticContact CE2-ND1 3.92Å; F138-H141 HydrophobicContact CG-CB 4.08Å; F138-H141 HydrophobicContact CZ-CB 4.31Å; F138-H141 WeakPolarHBondContact O-CB 3.34Å; F138-H141 PolarHBondContact O-N 2.92Å; F138-R245 HydrophobicContact CD2-CG 4.44Å; F138-R245 HydrophobicContact CE2-CG 3.72Å; F138-R245 VanDerWaalsContact CG-CZ 3.42Å; F138-R245 HydrophobicContact CZ-CG 4.12Å; F138-K247 HydrophobicContact CE1-CB 4.17Å; F138-K247 HydrophobicContact CE1-CG 4.41Å; F138-K247 HydrophobicContact CZ-CB 3.78Å; F138-K247 WeakPolarHBondContact O-CE 3.48Å; F138-K247 PolarHBondContact O-NZ 3.18Å; F138-D257 HydrophobicContact CD1-CB 4.29Å; F138-D257 HydrophobicContact CE1-CB 3.71Å; F138-D257 HydrophobicContact CZ-CB 4.38Å; F138-D257 WeakPolarHBondContact CZ-OD1 3.29Å; F138-H311 HydrophobicContact CB-CB 4.21Å; F138-H311 HydrophobicContact CD1-CB 3.63Å; F138-H311 HydrophobicContact CE1-CB 4.43Å; F138-H311 HydrophobicContact CG-CB 4.29Å
139S91.7Very high92.4Very high72 Ų7246.4 Ų46.450%0.50322%0.223SC..G310 helixtrans-54.3-31.5174.7650000112.2D137 K247D137-S139 PolarHBondContact O-N 2.97Å; D137-S139 VanDerWaalsContact O-N 3.1Å; D137-S139 WeakPolarHBondContact OD1-CB 3.32Å; D137-S139 PolarHBondContact OD1-N 3.39Å; D137-S139 PolarHBondContact OD1-OG 3.24Å; D137-S139 PolarHBondContact OD2-OG 3.16Å; S139-K247 PolarHBondContact O-NZ 3.11Å
140H93.2Very high91.6Very high55 Ų5547.4 Ų47.426%0.25523%0.228SC..G310 helixtrans-93.9-2.4179.2-66.176.1000114.2P19 D137 F138P19-H140 HydrophobicContact CB-CB 3.84Å; P19-H140 HydrophobicContact CG-CB 3.74Å; D137-H140 PolarHBondContact O-N 3.35Å; D137-H140 VanDerWaalsContact O-N 3.15Å; D137-H140 IonicContact OD2-ND1 3.19Å; F138-H140 PolarHBondContact O-N 3.19Å; F138-H140 VanDerWaalsContact O-N 3.08Å
141H94.7Very high90.1Very high13 Ų1346.3 Ų46.36%0.0623%0.226CC..SBendtrans-59.5133.6177.9-164.688.7000110.4Y136 F138 E144 K247Y136-H141 AromaticContact CE1-ND1 3.8Å; Y136-H141 HydrophobicContact CE2-CB 4.33Å; Y136-H141 AromaticContact CZ-ND1 3.42Å; Y136-H141 WeakPolarHBondContact OH-CA 3.43Å; Y136-H141 PolarHBondContact OH-ND1 2.93Å; F138-H141 HydrophobicContact CD2-CB 3.51Å; F138-H141 AromaticContact CD2-CG 3.7Å; F138-H141 HydrophobicContact CE2-CB 3.64Å; F138-H141 AromaticContact CE2-CD2 3.61Å; F138-H141 AromaticContact CE2-CG 3.44Å; F138-H141 VanDerWaalsContact CE2-CG 3.44Å; F138-H141 AromaticContact CE2-ND1 3.92Å; F138-H141 HydrophobicContact CG-CB 4.08Å; F138-H141 HydrophobicContact CZ-CB 4.31Å; F138-H141 WeakPolarHBondContact O-CB 3.34Å; F138-H141 PolarHBondContact O-N 2.92Å; H141-E144 IonicContact CD2-OE1 3.62Å; H141-E144 IonicContact CD2-OE2 2.64Å; H141-E144 PolarHBondContact CD2-OE2 2.75Å; H141-E144 IonicContact CE1-OE1 3.67Å; H141-E144 VanDerWaalsContact NE2-CD 3.26Å; H141-E144 IonicContact NE2-OE1 2.72Å; H141-E144 PolarHBondContact NE2-OE1 2.99Å; H141-E144 IonicContact NE2-OE2 3.58Å; H141-E144 PolarHBondContact NE2-OE2 3.1Å; H141-K247 WeakPolarHBondContact O-CD 3.31Å; H141-K247 VanDerWaalsContact O-CE 3.3Å; H141-K247 WeakPolarHBondContact O-CE 3.3Å; H141-K247 PolarHBondContact O-NZ 3.13Å
142P94.1Very high88Confident6 Ų651.8 Ų51.84%0.03925%0.252CS..PPolyproline II helixtrans-67.1141.1-177.628.8-36.3000110.5A119 L120 K128 M131 Y136 E144A119-P142 HydrophobicContact CB-CB 4.48Å; A119-P142 HydrophobicContact CB-CG 4.03Å; L120-P142 HydrophobicContact CD2-CB 4.27Å; K128-P142 HydrophobicContact CB-CG 4.24Å; K128-P142 HydrophobicContact CD-CB 4.28Å; K128-P142 HydrophobicContact CG-CB 4.02Å; K128-P142 HydrophobicContact CG-CG 3.95Å; M131-P142 HydrophobicContact CG-CG 4.09Å; Y136-P142 WeakPolarHBondContact OH-CD 3.5Å; P142-E144 PolarHBondContact O-N 2.9Å
143V94.1Very high86Confident27 Ų2753.5 Ų53.516%0.16427%0.268CS..PPolyproline II helixtrans-64.6118.4171.7178.10000109.4K128 Y145 K146 K247 E249 L255K128-V143 PolarHBondContact NZ-O 3.15Å; V143-Y145 WeakPolarHBondContact CG1-O 3.5Å; V143-K146 HydrophobicContact CG1-CG 3.67Å; V143-K247 HydrophobicContact CG2-CD 3.91Å; V143-K247 HydrophobicContact CG2-CG 4.2Å; V143-E249 HydrophobicContact CG1-CB 3.71Å; V143-E249 HydrophobicContact CG2-CB 4.41Å; V143-L255 HydrophobicContact CG2-CD2 3.75Å
144E93.3Very high84.1Confident41 Ų4152.3 Ų52.319%0.19226%0.263CS..  trans-91.5-28.7178.9-67.2112.7134.700113.4K128 H141 P142 F246 K247K128-E144 HydrophobicContact CB-CG 4.04Å; K128-E144 HydrophobicContact CD-CG 4.26Å; H141-E144 IonicContact CD2-OE1 3.62Å; H141-E144 IonicContact CD2-OE2 2.64Å; H141-E144 PolarHBondContact CD2-OE2 2.75Å; H141-E144 IonicContact CE1-OE1 3.67Å; H141-E144 VanDerWaalsContact NE2-CD 3.26Å; H141-E144 IonicContact NE2-OE1 2.72Å; H141-E144 PolarHBondContact NE2-OE1 2.99Å; H141-E144 IonicContact NE2-OE2 3.58Å; H141-E144 PolarHBondContact NE2-OE2 3.1Å; P142-E144 PolarHBondContact O-N 2.9Å; E144-F246 HydrophobicContact CB-CD1 3.91Å; E144-F246 HydrophobicContact CG-CD1 4.14Å; E144-K247 PolarHBondContact N-O 3.44Å; E144-K247 PolarHBondContact OE2-N 3.45Å
145Y93.8Very high82.3Confident22 Ų2255.8 Ų55.89%0.08628%0.283CS..EExtended strand (participates in β ladder)trans-134.6134.1176.4-166.6-94.6000110.5V143 L248 E249 V327 Q330 F331 S334V143-Y145 WeakPolarHBondContact CG1-O 3.5Å; Y145-L248 CarbonylContact O-C 3.59Å; Y145-L248 WeakPolarHBondContact O-CA 3.36Å; Y145-E249 PolarHBondContact O-N 3.25Å; Y145-V327 HydrophobicContact CD1-CG2 3.7Å; Y145-V327 HydrophobicContact CE1-CG2 3.93Å; Y145-Q330 HydrophobicContact CE1-CB 3.8Å; Y145-Q330 WeakPolarHBondContact OH-CB 3.41Å; Y145-F331 HydrophobicContact CD1-CB 4.04Å; Y145-F331 HydrophobicContact CD1-CD2 4.36Å; Y145-F331 AromaticContact CD2-CD2 3.9Å; Y145-F331 HydrophobicContact CD2-CD2 3.9Å; Y145-F331 HydrophobicContact CE1-CB 4.34Å; Y145-F331 HydrophobicContact CG-CB 4.23Å; Y145-F331 AromaticContact CG-CD2 3.71Å; Y145-F331 HydrophobicContact CG-CD2 3.71Å; Y145-F331 HydrophobicContact CG-CG 4.46Å; Y145-S334 VanDerWaalsContact CE2-OG 3.29Å; Y145-S334 WeakPolarHBondContact CE2-OG 3.27Å
146K95Very high80.5Confident114 Ų11455.8 Ų55.850%0.49629%0.285SS..EExtended strand (participates in β ladder)trans-114.8138.9174.5-64.7-175.1176-116.70107.9V143 K148 E249V143-K146 HydrophobicContact CG1-CG 3.67Å; K146-K148 WeakPolarHBondContact O-CG 3.32Å; K146-E249 WeakPolarHBondContact CE-OE2 3.48Å; K146-E249 HydrophobicContact CG-CB 4.19Å; K146-E249 IonicContact NZ-OE1 3.55Å; K146-E249 IonicContact NZ-OE2 3.61Å; K146-E249 PolarHBondContact NZ-OE2 2.96Å
147W94.9Very high78.6Confident47 Ų4758.4 Ų58.418%0.17830%0.3CS..  trans-50.3141.4169.2-179.892.1000110.5D149 E249 K251 D326 V327 Q330W147-D149 VanDerWaalsContact CH2-CA 3.49Å; W147-D149 HydrophobicContact CH2-CB 3.64Å; W147-D149 HydrophobicContact CZ3-CB 3.88Å; W147-E249 WeakPolarHBondContact CB-O 3.22Å; W147-E249 PolarHBondContact N-O 3.04Å; W147-K251 HydrophobicContact CD2-CB 3.55Å; W147-K251 HydrophobicContact CD2-CD 4.36Å; W147-K251 HydrophobicContact CD2-CG 3.9Å; W147-K251 HydrophobicContact CE3-CB 3.92Å; W147-K251 HydrophobicContact CE3-CD 4.5Å; W147-K251 HydrophobicContact CE3-CG 3.84Å; W147-K251 HydrophobicContact CG-CB 3.8Å; W147-K251 HydrophobicContact CH2-CD 3.8Å; W147-K251 HydrophobicContact CH2-CG 3.98Å; W147-K251 HydrophobicContact CZ2-CB 4.33Å; W147-K251 HydrophobicContact CZ2-CD 3.62Å; W147-K251 HydrophobicContact CZ2-CG 4.02Å; W147-K251 HydrophobicContact CZ3-CB 4.44Å; W147-K251 HydrophobicContact CZ3-CD 4.23Å; W147-K251 HydrophobicContact CZ3-CG 3.88Å; W147-D326 PolarHBondContact NE1-OD2 3.37Å; W147-V327 HydrophobicContact CB-CB 4.26Å; W147-V327 HydrophobicContact CB-CG2 3.98Å; W147-Q330 VanDerWaalsContact CD1-NE2 3.29Å
148K91.4Very high76.6Confident88 Ų8859.4 Ų59.438%0.38330%0.3SS..  trans-129149.6178-54.1178.7-171.8165.70110.4K146 E150 Q330K146-K148 WeakPolarHBondContact O-CG 3.32Å; K148-E150 HydrophobicContact CB-CB 4.46Å; K148-E150 HydrophobicContact CB-CG 3.84Å; K148-E150 VanDerWaalsContact CD-CD 3.43Å; K148-E150 HydrophobicContact CD-CG 4.2Å; K148-E150 WeakPolarHBondContact CD-OE1 3.39Å; K148-E150 IonicContact NZ-OE1 2.59Å; K148-E150 PolarHBondContact NZ-OE1 3.04Å; K148-E150 IonicContact NZ-OE2 3.15Å; K148-E150 PolarHBondContact O-N 3.48Å; K148-Q330 PolarHBondContact O-NE2 3.16Å; K148-Q330 PolarHBondContact O-OE1 2.62Å
149D83.1Confident74.7Confident126 Ų12666.3 Ų66.367%0.67434%0.337SS*.SBendtrans-7959173.3-160.520.1000110.4W147W147-D149 VanDerWaalsContact CH2-CA 3.49Å; W147-D149 HydrophobicContact CH2-CB 3.64Å; W147-D149 HydrophobicContact CZ3-CB 3.88Å
150E66.3Low73.1Confident113 Ų11366.2 Ų66.253%0.52833%0.334SS..  trans-100.9-11.5-179.7-72.7178.3-177.700112K148K148-E150 HydrophobicContact CB-CB 4.46Å; K148-E150 HydrophobicContact CB-CG 3.84Å; K148-E150 VanDerWaalsContact CD-CD 3.43Å; K148-E150 HydrophobicContact CD-CG 4.2Å; K148-E150 WeakPolarHBondContact CD-OE1 3.39Å; K148-E150 IonicContact NZ-OE1 2.59Å; K148-E150 PolarHBondContact NZ-OE1 3.04Å; K148-E150 IonicContact NZ-OE2 3.15Å; K148-E150 PolarHBondContact O-N 3.48Å
151F58.3Low71.2Confident66 Ų6664.5 Ų64.529%0.28933%0.331SS..  trans-133.4115.6-172.7-59.8-85.5000111.4Q330 L333 Y361F151-Q330 HydrophobicContact CD2-CG 3.83Å; F151-Q330 HydrophobicContact CE2-CG 3.84Å; F151-L333 HydrophobicContact CE1-CD1 4.15Å; F151-L333 HydrophobicContact CZ-CD1 3.8Å; F151-Y361 HydrophobicContact CD1-CE1 4.47Å
152Q48.5Very low69.2Low116 Ų11670.9 Ų70.954%0.54236%0.358SS..PPolyproline II helixtrans-87.4125.7165.3-79.4-172.512.100109.7
153A50.6Low67.2Low49 Ų4972.5 Ų72.541%0.40537%0.366SS..PPolyproline II helixtrans-55131.6172.900000111.8H360A153-H360 WeakPolarHBondContact CB-CD2 3.4Å; A153-H360 VanDerWaalsContact CB-NE2 3.28Å; A153-H360 WeakPolarHBondContact CB-NE2 3.47Å
154P54.3Low65.1Low19 Ų1976.9 Ų76.912%0.12339%0.388CS..PPolyproline II helixtrans-74.7154.1165.333.7-33.8000111.1I163 L164 L165P154-I163 HydrophobicContact CB-CG2 3.33Å; P154-I163 HydrophobicContact CG-CG2 3.62Å; P154-L164 WeakPolarHBondContact CA-O 3.13Å; P154-L164 WeakPolarHBondContact CB-O 3.15Å; P154-L165 HydrophobicContact CB-CD2 4.16Å
155I56.3Low62.8Low104 Ų10481 Ų8153%0.53341%0.411SS..EExtended strand (participates in β ladder)trans-100.6125.2-179.4-60.3171.9000108.2L164I155-L164 PolarHBondContact N-O 3.2Å; I155-L164 WeakPolarHBondContact O-CB 3.49Å; I155-L164 PolarHBondContact O-N 3.07Å
156C54.5Low60.3Low37 Ų3786.6 Ų86.625%0.2543%0.432CS..EExtended strand (participates in β ladder)trans-87.9133.8173.5-178.20000111.1C410C156-C410 HydrophobicContact CB-CB 3.78Å; C156-C410 WeakPolarHBondContact CB-SG 3.4Å; C156-C410 WeakPolarHBondContact SG-CB 3.47Å; C156-C410 CovalentContact SG-SG 2.04Å; C156-C410 PolarHBondContact SG-SG 2.87Å
157D55.9Low57.3Low63 Ų6384.2 Ų84.234%0.33744%0.439SS..EExtended strand (participates in β ladder)trans-89.2113.7165.1171.911.5000110.1N159 T160 G161 K162D157-N159 VanDerWaalsContact C-N 3.25Å; D157-N159 PolarHBondContact O-N 3.01Å; D157-N159 PolarHBondContact OD1-N 3.37Å; D157-T160 WeakPolarHBondContact CB-OG1 3.46Å; D157-T160 VanDerWaalsContact CG-OG1 3.28Å; D157-T160 PolarHBondContact O-N 3.34Å; D157-T160 WeakPolarHBondContact OD2-CG2 3.46Å; D157-T160 PolarHBondContact OD2-OG1 3.45Å; D157-G161 WeakPolarHBondContact O-CA 3.48Å; D157-G161 PolarHBondContact O-N 3.16Å; D157-K162 PolarHBondContact N-O 3.02Å; D157-K162 VanDerWaalsContact N-O 3.08Å
158R50.2Low54.4Low66 Ų6690 Ų9025%0.24946%0.461CS..THydrogen-bonded Turntrans-54.3-36.5179-91.4-173.1177.1-163.41.1113.8T160 S186 D406R158-T160 VanDerWaalsContact C-N 3.29Å; R158-T160 PolarHBondContact O-N 3.37Å; R158-S186 PolarHBondContact NH1-O 2.9Å; R158-S186 VanDerWaalsContact NH1-O 3.14Å; R158-D406 IonicContact CZ-OD1 3.85Å; R158-D406 IonicContact CZ-OD2 3.64Å; R158-D406 IonicContact NE-OD1 3.15Å; R158-D406 IonicContact NH2-OD1 2.7Å; R158-D406 PolarHBondContact NH2-OD1 3.22Å; R158-D406 IonicContact NH2-OD2 3.64Å; R158-D406 PolarHBondContact NH2-OD2 2.93Å
159N53.7Low51.8Low149 Ų14995.5 Ų95.580%0.79749%0.485SS*.THydrogen-bonded Turntrans-74.3-25.6-174-71-26.3000112.2D157D157-N159 VanDerWaalsContact C-N 3.25Å; D157-N159 PolarHBondContact O-N 3.01Å; D157-N159 PolarHBondContact OD1-N 3.37Å
160T58.3Low49.1Very low70 Ų7094 Ų9443%0.42949%0.49SS..THydrogen-bonded Turntrans-118.7-9.5-173.962.50000113.8D157 R158 K162D157-T160 WeakPolarHBondContact CB-OG1 3.46Å; D157-T160 VanDerWaalsContact CG-OG1 3.28Å; D157-T160 PolarHBondContact O-N 3.34Å; D157-T160 WeakPolarHBondContact OD2-CG2 3.46Å; D157-T160 PolarHBondContact OD2-OG1 3.45Å; R158-T160 VanDerWaalsContact C-N 3.29Å; R158-T160 PolarHBondContact O-N 3.37Å; T160-K162 PolarHBondContact O-N 3.05Å; T160-K162 VanDerWaalsContact O-N 3.09Å; T160-K162 WeakPolarHBondContact OG1-CB 3.29Å; T160-K162 PolarHBondContact OG1-N 2.88Å
161G52.9Low47.3Very low19 Ų1996.3 Ų96.320%0.19651%0.505CS..THydrogen-bonded Turntrans63.26.3-170.200000113.3D157 I163D157-G161 WeakPolarHBondContact O-CA 3.48Å; D157-G161 PolarHBondContact O-N 3.16Å; G161-I163 PolarHBondContact O-N 3.49Å
162K53Low45.7Very low146 Ų14699.9 Ų99.964%0.63553%0.527SS*.EExtended strand (participates in β ladder)trans-78.8120.6-173.1-71.3-178.6-179.9177.80110.5D157 T160 L164D157-K162 PolarHBondContact N-O 3.02Å; D157-K162 VanDerWaalsContact N-O 3.08Å; T160-K162 PolarHBondContact O-N 3.05Å; T160-K162 VanDerWaalsContact O-N 3.09Å; T160-K162 WeakPolarHBondContact OG1-CB 3.29Å; T160-K162 PolarHBondContact OG1-N 2.88Å; K162-L164 PolarHBondContact O-N 3.44Å
163I53.1Low44.6Very low40 Ų40102.8 Ų102.821%0.20554%0.538CS..EExtended strand (participates in β ladder)trans-72.9106.9167.4-62.8-177000108.5P154 G161 L165 P362P154-I163 HydrophobicContact CB-CG2 3.33Å; P154-I163 HydrophobicContact CG-CG2 3.62Å; G161-I163 PolarHBondContact O-N 3.49Å; I163-L165 HydrophobicContact CG2-CD2 3.84Å; I163-L165 HydrophobicContact CG2-CG 4.19Å; I163-L165 PolarHBondContact O-N 3.47Å; I163-P362 HydrophobicContact CD1-CB 4.04Å
164L48.9Very low43.5Very low119 Ų119108.5 Ų108.562%0.62356%0.561SS**EExtended strand (participates in β ladder)trans-72.593.6164.5-77.3164.3000108.2P154 I155 K162 R166P154-L164 WeakPolarHBondContact CA-O 3.13Å; P154-L164 WeakPolarHBondContact CB-O 3.15Å; I155-L164 PolarHBondContact N-O 3.2Å; I155-L164 WeakPolarHBondContact O-CB 3.49Å; I155-L164 PolarHBondContact O-N 3.07Å; K162-L164 PolarHBondContact O-N 3.44Å; L164-R166 PolarHBondContact O-N 2.74Å
165L45.6Very low42.2Very low127 Ų127111.8 Ų111.867%0.66560%0.598SS**  trans-63104.5169.7-64.5171.5000108.7P154 I163 G167P154-L165 HydrophobicContact CB-CD2 4.16Å; I163-L165 HydrophobicContact CG2-CD2 3.84Å; I163-L165 HydrophobicContact CG2-CG 4.19Å; I163-L165 PolarHBondContact O-N 3.47Å; L165-G167 PolarHBondContact O-N 3.24Å
166R40.9Very low40.8Very low141 Ų141114.8 Ų114.853%0.53261%0.61SS.*  trans-66107.9154.7-88.1-171.9170.1-165.2-1.6105.8L164 R168L164-R166 PolarHBondContact O-N 2.74Å; R166-R168 PolarHBondContact O-N 3.15Å
167G32.7Very low39.3Very low63 Ų63123 Ų12365%0.64964%0.641SS**  trans-45.8136.5-165.100000114L165 K169L165-G167 PolarHBondContact O-N 3.24Å; G167-K169 PolarHBondContact O-N 3.5Å; G167-K169 VanDerWaalsContact O-N 3.16Å
168R33.4Very low38Very low169 Ų169125.5 Ų125.564%0.63865%0.653SS**SBendtrans-58.5115.8157.1-77.1179.3171171.9-1.9107.7R166 E339R166-R168 PolarHBondContact O-N 3.15Å; R168-E339 IonicContact CZ-OE1 3.99Å; R168-E339 IonicContact NH1-OE1 3.03Å; R168-E339 IonicContact NH2-OE1 3.05Å; R168-E339 PolarHBondContact NH2-OE1 3.29Å; R168-E339 IonicContact NH2-OE2 2.69Å
169K36.3Very low36.7Very low204 Ų204131.1 Ų131.189%0.88768%0.679SS**  trans113.9142.3166.9-65.1171.8177178.10114.5G167G167-K169 PolarHBondContact O-N 3.5Å; G167-K169 VanDerWaalsContact O-N 3.16Å
170A27.8Very low35.4Very low94 Ų94130 Ų13078%0.77768%0.681SS**  trans9369.7173.800000116.7
171L28.2Very low33.9Very low161 Ų161138.2 Ų138.284%0.84370%0.704SS**  trans-118.540.6150.8-143.7111.9000111.5
172L25.6Very low32.6Very low142 Ų142145.3 Ų145.374%0.74373%0.732SS**SBendtrans-101.9112.3152.6-101.1144.3000105.4
173F25.4Very low31.7Very low177 Ų177143 Ų14378%0.77674%0.74SS**SBendtrans73.889.9174.9-51-79.3000117
174L26.4Very low30.5Very low169 Ų169146.5 Ų146.589%0.88576%0.763SS**  178.1120.2113.3-96.8143.5000108.2E176L174-E176 PolarHBondContact O-N 3.14Å; L174-E176 VanDerWaalsContact O-N 3.07Å
175G26.7Very low29.9Very low88 Ų88144.6 Ų144.691%0.90776%0.756SS**  trans-67.9104.3177.900000110.2
176E26.2Very low29.1Very low167 Ų167142.2 Ų142.278%0.7875%0.75SS**  trans-132.4121.9156.7-152172.6-171.300108.8L174 I178L174-E176 PolarHBondContact O-N 3.14Å; L174-E176 VanDerWaalsContact O-N 3.07Å; E176-I178 VanDerWaalsContact C-N 3.26Å; E176-I178 PolarHBondContact O-N 3.45Å
177K24.8Very low29Very low208 Ų208138.4 Ų138.490%0.90474%0.742SS**  trans-70.582.2178.9-71179.4177.9177.50108.8K179K177-K179 PolarHBondContact O-N 3.39Å
178I28.2Very low29.2Very low116 Ų116140.9 Ų140.960%0.59575%0.75SS**  trans-76.1109.9173.3-58.2176.8000107.7E176E176-I178 VanDerWaalsContact C-N 3.26Å; E176-I178 PolarHBondContact O-N 3.45Å
179K22.7Very low30.1Very low184 Ų184136 Ų13680%0.873%0.734SS**  trans-58.5137.7169.6-70-179.3177.1-179.60109K177 R181K177-K179 PolarHBondContact O-N 3.39Å; K179-R181 PolarHBondContact O-N 3.36Å
180P26.5Very low30.9Very low127 Ų127132 Ų13283%0.82573%0.727SS**  trans-63110176.225.6-30.3000108E182P180-E182 PolarHBondContact O-N 3.5Å
181R26.3Very low32.5Very low242 Ų242133.5 Ų133.591%0.91373%0.729SS**  trans-75.1111162.1-123.6177.2174.2153.2-2.9104.4K179 A183K179-R181 PolarHBondContact O-N 3.36Å; R181-A183 PolarHBondContact O-N 2.84Å
182E25.3Very low34.5Very low168 Ų168128.7 Ų128.779%0.78570%0.703SS**  trans-41.5134.1170.1-69.5168.3165.800108.6P180 V184P180-E182 PolarHBondContact O-N 3.5Å; E182-V184 PolarHBondContact O-N 3.12Å
183A34.5Very low36.9Very low97 Ų97125.9 Ų125.980%0.80270%0.696SS**  trans-64.484.3172.300000107.3R181 V185R181-A183 PolarHBondContact O-N 2.84Å; A183-V185 PolarHBondContact O-N 3.2Å
184V28.4Very low39.4Very low113 Ų113123.5 Ų123.569%0.68570%0.698SS**  trans-72.683.7170.5-177.70000105.3E182 S186E182-V184 PolarHBondContact O-N 3.12Å; V184-S186 PolarHBondContact O-N 3.42Å
185V35.9Very low42.3Very low80 Ų80117.3 Ų117.349%0.48567%0.669SS.*  trans-6090.9147.5178.10000103.9A183 T187A183-V185 PolarHBondContact O-N 3.2Å; V185-T187 VanDerWaalsContact C-N 3.34Å; V185-T187 PolarHBondContact O-N 3.03Å
186S29.2Very low45.3Very low76 Ų76118 Ų11853%0.53166%0.658SS.*  trans-66.797.1178.647.50000107.3R158 V184 S188R158-S186 PolarHBondContact NH1-O 2.9Å; R158-S186 VanDerWaalsContact NH1-O 3.14Å; V184-S186 PolarHBondContact O-N 3.42Å; S186-S188 PolarHBondContact O-N 2.83Å
187T37.6Very low48.5Very low61 Ų61116.4 Ų116.437%0.37465%0.653SS.*  trans-57.1127.116649.80000107.2V185 E189V185-T187 VanDerWaalsContact C-N 3.34Å; V185-T187 PolarHBondContact O-N 3.03Å; T187-E189 PolarHBondContact O-N 3.25Å
188S37.2Very low51.7Low116 Ų116107.5 Ų107.581%0.81162%0.618SS**  trans-71.716.8168.756.30000112S186S186-S188 PolarHBondContact O-N 2.83Å
189E53.3Low54.8Low67 Ų67104.3 Ų104.331%0.31360%0.602SS.*SBendtrans-85.3135.1179.1-62.5-175.3156.100107.6T187 P191 R397T187-E189 PolarHBondContact O-N 3.25Å; E189-P191 WeakPolarHBondContact O-CD 3.32Å; E189-P191 VanDerWaalsContact O-N 3.11Å; E189-R397 VanDerWaalsContact CD-NE 3.29Å; E189-R397 IonicContact OE1-CZ 3.46Å; E189-R397 IonicContact OE1-NE 2.76Å; E189-R397 PolarHBondContact OE1-NE 3.23Å; E189-R397 IonicContact OE1-NH2 3.31Å; E189-R397 PolarHBondContact OE1-NH2 3.08Å; E189-R397 WeakPolarHBondContact OE2-CD 3.45Å; E189-R397 IonicContact OE2-CZ 3.04Å; E189-R397 IonicContact OE2-NE 2.97Å; E189-R397 PolarHBondContact OE2-NE 2.72Å; E189-R397 IonicContact OE2-NH2 2.9Å
190T52.7Low58.2Low118 Ų118100 Ų10072%0.72459%0.592SS**PPolyproline II helixtrans-47.3122.8173.643.50000108.7L192T190-L192 PolarHBondContact O-N 2.78Å
191P61.1Low61.5Low127 Ų12797 Ų9783%0.82557%0.57SS**PPolyproline II helixtrans-52.4119.6179.3-22.729.4000108.7E189 S193E189-P191 WeakPolarHBondContact O-CD 3.32Å; E189-P191 VanDerWaalsContact O-N 3.11Å; P191-S193 PolarHBondContact O-N 3.17Å
192L70.8Confident64.7Low59 Ų5985.4 Ų85.431%0.30953%0.527SS..PPolyproline II helixtrans-53.3130.5176.1-72.1166.2000108T190 R394 R397T190-L192 PolarHBondContact O-N 2.78Å; L192-R394 HydrophobicContact CD1-CB 4.05Å; L192-R394 HydrophobicContact CD1-CG 4.13Å; L192-R397 HydrophobicContact CD1-CB 4.25Å
193S76.2Confident68.1Low84 Ų8483.8 Ų83.859%0.58751%0.514SS*.PPolyproline II helixtrans-56.7130.8-177.256.90000110.3P191 S195 R394P191-S193 PolarHBondContact O-N 3.17Å; S193-S195 PolarHBondContact O-N 2.97Å; S193-R394 PolarHBondContact O-NH1 2.77Å; S193-R394 PolarHBondContact O-NH2 3.05Å
194P77.9Confident71Confident127 Ų12783.6 Ų83.683%0.82550%0.499SS*.PPolyproline II helixtrans-61.9124.3-179.521.1-30000110.1
195S87.4Confident74.1Confident39 Ų3981.2 Ų81.227%0.27348%0.482SS..  trans-147.4101.9-178.2174.30000109.6S193 I197 A198 D199S193-S195 PolarHBondContact O-N 2.97Å; S195-I197 PolarHBondContact O-N 3.24Å; S195-I197 VanDerWaalsContact O-N 3.14Å; S195-A198 PolarHBondContact O-N 3.3Å; S195-A198 VanDerWaalsContact O-N 3.09Å; S195-A198 PolarHBondContact OG-N 2.91Å; S195-D199 WeakPolarHBondContact O-CB 3.45Å; S195-D199 VanDerWaalsContact O-CG 3.25Å; S195-D199 PolarHBondContact O-N 3.42Å; S195-D199 VanDerWaalsContact O-OD2 3.05Å
196P89.8Confident76.9Confident102 Ų10277.4 Ų77.466%0.66246%0.459SS*.Hα-helixtrans-57.3-33.9-175.7-26.634.1000114T200P196-T200 WeakPolarHBondContact O-CB 3.29Å; P196-T200 PolarHBondContact O-N 2.71Å; P196-T200 PolarHBondContact O-OG1 2.75Å
197I93.2Very high80Confident134 Ų13476.6 Ų76.669%0.68745%0.448SS*.Hα-helixtrans-68.7-50.6177.5-63.2173.2000109.8S195 D199 T200 V201S195-I197 PolarHBondContact O-N 3.24Å; S195-I197 VanDerWaalsContact O-N 3.14Å; I197-D199 VanDerWaalsContact C-N 3.31Å; I197-D199 PolarHBondContact O-N 2.83Å; I197-T200 PolarHBondContact O-N 3.41Å; I197-V201 WeakPolarHBondContact O-CG2 3.28Å; I197-V201 PolarHBondContact O-N 2.63Å
198A92.3Very high82.6Confident21 Ų2177 Ų7717%0.17445%0.451CS..Hα-helixtrans-64-38.4179.800000111.3S195 T200 V201 S202 I391S195-A198 PolarHBondContact O-N 3.3Å; S195-A198 VanDerWaalsContact O-N 3.09Å; S195-A198 PolarHBondContact OG-N 2.91Å; A198-T200 PolarHBondContact O-N 3.02Å; A198-V201 PolarHBondContact O-N 3.02Å; A198-S202 WeakPolarHBondContact O-CB 3.48Å; A198-S202 PolarHBondContact O-N 3.42Å; A198-S202 PolarHBondContact O-OG 2.75Å; A198-I391 HydrophobicContact CB-CD1 4.36Å; A198-I391 WeakPolarHBondContact O-CD1 3.32Å
199D92.1Very high85.2Confident49 Ų4974.8 Ų74.826%0.26243%0.432SS..Hα-helixtrans-62.5-42175.1-67-33.7000111.9S195 I197 S202 W203 R394S195-D199 WeakPolarHBondContact O-CB 3.45Å; S195-D199 VanDerWaalsContact O-CG 3.25Å; S195-D199 PolarHBondContact O-N 3.42Å; S195-D199 VanDerWaalsContact O-OD2 3.05Å; I197-D199 VanDerWaalsContact C-N 3.31Å; I197-D199 PolarHBondContact O-N 2.83Å; D199-S202 PolarHBondContact O-N 3Å; D199-W203 VanDerWaalsContact O-CB 3.31Å; D199-W203 WeakPolarHBondContact O-CB 3.34Å; D199-W203 PolarHBondContact O-N 2.88Å; D199-R394 VanDerWaalsContact CG-NH1 3.33Å; D199-R394 IonicContact OD1-CZ 3.22Å; D199-R394 IonicContact OD1-NH1 3.47Å; D199-R394 PolarHBondContact OD1-NH1 2.82Å; D199-R394 IonicContact OD2-NH1 3.19Å
200T94.4Very high87.1Confident93 Ų9372.2 Ų72.257%0.57142%0.423SS*.Hα-helixtrans-64.9-43.1175.9-57.10000111.4P196 I197 A198 W203 L204P196-T200 WeakPolarHBondContact O-CB 3.29Å; P196-T200 PolarHBondContact O-N 2.71Å; P196-T200 PolarHBondContact O-OG1 2.75Å; I197-T200 PolarHBondContact O-N 3.41Å; A198-T200 PolarHBondContact O-N 3.02Å; T200-W203 PolarHBondContact O-N 3.13Å; T200-L204 WeakPolarHBondContact O-CB 3.22Å; T200-L204 PolarHBondContact O-N 3.31Å
201V94.7Very high89.2Confident63 Ų6366.6 Ų66.638%0.38239%0.389SS..Hα-helixtrans-65.4-44.2176.9173.90000110.6I197 A198 L204 L205 I391I197-V201 WeakPolarHBondContact O-CG2 3.28Å; I197-V201 PolarHBondContact O-N 2.63Å; A198-V201 PolarHBondContact O-N 3.02Å; V201-L204 WeakPolarHBondContact O-CB 3.32Å; V201-L204 PolarHBondContact O-N 3.36Å; V201-L205 HydrophobicContact CG1-CD1 4.05Å; V201-L205 HydrophobicContact CG1-CG 4.35Å; V201-L205 WeakPolarHBondContact O-CB 3.38Å; V201-L205 WeakPolarHBondContact O-CG 3.45Å; V201-L205 PolarHBondContact O-N 2.61Å; V201-I391 HydrophobicContact CB-CD1 3.96Å; V201-I391 HydrophobicContact CG1-CD1 3.75Å; V201-I391 HydrophobicContact CG1-CG1 3.8Å
202S94.6Very high90.8Very high0 Ų064.8 Ų64.80%037%0.366CS..Hα-helixtrans-61.7-44.6176.2-74.80000112.1A198 D199 L204 L205 A206 I391 R394 T395A198-S202 WeakPolarHBondContact O-CB 3.48Å; A198-S202 PolarHBondContact O-N 3.42Å; A198-S202 PolarHBondContact O-OG 2.75Å; D199-S202 PolarHBondContact O-N 3Å; S202-L204 VanDerWaalsContact C-N 3.31Å; S202-L204 PolarHBondContact O-N 3.43Å; S202-L205 PolarHBondContact O-N 2.81Å; S202-A206 WeakPolarHBondContact O-CB 3.39Å; S202-A206 PolarHBondContact O-N 3.46Å; S202-I391 WeakPolarHBondContact OG-CD1 3.31Å; S202-R394 WeakPolarHBondContact OG-CD 3.5Å; S202-R394 VanDerWaalsContact OG-CG 3.27Å; S202-R394 WeakPolarHBondContact OG-CG 3.45Å; S202-T395 VanDerWaalsContact CA-OG1 3.3Å; S202-T395 WeakPolarHBondContact CA-OG1 3.05Å; S202-T395 VanDerWaalsContact CB-OG1 3.31Å; S202-T395 WeakPolarHBondContact CB-OG1 3.36Å; S202-T395 WeakPolarHBondContact O-CG2 3.4Å; S202-T395 PolarHBondContact OG-N 3.1Å; S202-T395 PolarHBondContact OG-OG1 2.67Å
203W96Very high91.9Very high134 Ų13466 Ų6651%0.50837%0.372SS..Hα-helixtrans-58-46174.2179.283.9000111.4D199 T200 A206 N207 Y399D199-W203 VanDerWaalsContact O-CB 3.31Å; D199-W203 WeakPolarHBondContact O-CB 3.34Å; D199-W203 PolarHBondContact O-N 2.88Å; T200-W203 PolarHBondContact O-N 3.13Å; W203-A206 PolarHBondContact O-N 2.8Å; W203-N207 PolarHBondContact NE1-ND2 3.42Å; W203-N207 WeakPolarHBondContact O-CB 3.35Å; W203-N207 PolarHBondContact O-N 3.01Å; W203-N207 PolarHBondContact O-ND2 3.16Å; W203-Y399 HydrophobicContact CB-CE2 4.25Å; W203-Y399 WeakPolarHBondContact CB-OH 3.31Å; W203-Y399 AromaticContact CD1-CE1 3.86Å
204L95.7Very high92.8Very high92 Ų9262.9 Ų62.948%0.48235%0.348SS..Hα-helixtrans-61.9-47.5178.2-177.368.9000110.9T200 V201 S202 N207 T208T200-L204 WeakPolarHBondContact O-CB 3.22Å; T200-L204 PolarHBondContact O-N 3.31Å; V201-L204 WeakPolarHBondContact O-CB 3.32Å; V201-L204 PolarHBondContact O-N 3.36Å; S202-L204 VanDerWaalsContact C-N 3.31Å; S202-L204 PolarHBondContact O-N 3.43Å; L204-N207 PolarHBondContact O-N 3.14Å; L204-T208 HydrophobicContact CD1-CG2 3.77Å; L204-T208 HydrophobicContact CG-CG2 4.34Å; L204-T208 WeakPolarHBondContact O-CB 3.4Å; L204-T208 VanDerWaalsContact O-CG2 3.31Å; L204-T208 WeakPolarHBondContact O-CG2 3.39Å; L204-T208 PolarHBondContact O-N 2.71Å; L204-T208 PolarHBondContact O-OG1 3.48Å
205L94.2Very high93.7Very high64 Ų6456.9 Ų56.934%0.33531%0.309SS..Hα-helixtrans-59.4-49.2178.4-74.3173.6000111.2V201 S202 N207 T208 V209 G210 I391 T395V201-L205 HydrophobicContact CG1-CD1 4.05Å; V201-L205 HydrophobicContact CG1-CG 4.35Å; V201-L205 WeakPolarHBondContact O-CB 3.38Å; V201-L205 WeakPolarHBondContact O-CG 3.45Å; V201-L205 PolarHBondContact O-N 2.61Å; S202-L205 PolarHBondContact O-N 2.81Å; L205-N207 PolarHBondContact O-N 2.65Å; L205-T208 PolarHBondContact O-N 2.97Å; L205-V209 PolarHBondContact O-N 3.15Å; L205-G210 PolarHBondContact O-N 2.76Å; L205-I391 HydrophobicContact CD1-CG1 3.66Å; L205-I391 HydrophobicContact CD1-CG2 4.39Å; L205-T395 HydrophobicContact CB-CG2 4.06Å
206A95.2Very high94.1Very high0 Ų056.3 Ų56.30%030%0.304CS..Iπ-helixtrans-56.5-48.8177.500000111.6S202 W203 T208 I211 W317 T395 Y399S202-A206 WeakPolarHBondContact O-CB 3.39Å; S202-A206 PolarHBondContact O-N 3.46Å; W203-A206 PolarHBondContact O-N 2.8Å; A206-T208 PolarHBondContact O-N 2.61Å; A206-I211 WeakPolarHBondContact O-CB 3.29Å; A206-I211 WeakPolarHBondContact O-CG2 3.38Å; A206-I211 PolarHBondContact O-N 3Å; A206-W317 HydrophobicContact CB-CH2 4.27Å; A206-W317 HydrophobicContact CB-CZ3 4.31Å; A206-T395 HydrophobicContact CB-CG2 3.88Å; A206-Y399 HydrophobicContact CB-CD1 4.49Å; A206-Y399 HydrophobicContact CB-CD2 3.89Å; A206-Y399 HydrophobicContact CB-CG 3.76Å
207N93.7Very high94.3Very high58 Ų5851.5 Ų51.531%0.3127%0.274SS..Iπ-helixtrans-81.3-9.4-172.9-75.5-90.9000114.7W203 L204 L205W203-N207 PolarHBondContact NE1-ND2 3.42Å; W203-N207 WeakPolarHBondContact O-CB 3.35Å; W203-N207 PolarHBondContact O-N 3.01Å; W203-N207 PolarHBondContact O-ND2 3.16Å; L204-N207 PolarHBondContact O-N 3.14Å; L205-N207 PolarHBondContact O-N 2.65Å
208T92.4Very high94.3Very high70 Ų7045.8 Ų45.843%0.42925%0.245SC..Iπ-helixtrans-115.9-40.4-177.457.80000114.2L204 L205 A206 Y212L204-T208 HydrophobicContact CD1-CG2 3.77Å; L204-T208 HydrophobicContact CG-CG2 4.34Å; L204-T208 WeakPolarHBondContact O-CB 3.4Å; L204-T208 VanDerWaalsContact O-CG2 3.31Å; L204-T208 WeakPolarHBondContact O-CG2 3.39Å; L204-T208 PolarHBondContact O-N 2.71Å; L204-T208 PolarHBondContact O-OG1 3.48Å; L205-T208 PolarHBondContact O-N 2.97Å; A206-T208 PolarHBondContact O-N 2.61Å; T208-Y212 VanDerWaalsContact O-CD2 3.26Å; T208-Y212 WeakPolarHBondContact O-CD2 3.38Å
209V91.6Very high94.3Very high70 Ų7047.3 Ų47.342%0.42425%0.25SC..Iπ-helixtrans-126.8-43.7-174.6-176.30000111.2L205 I211 Y212 M213L205-V209 PolarHBondContact O-N 3.15Å; V209-I211 PolarHBondContact O-N 3.05Å; V209-Y212 PolarHBondContact O-N 2.89Å; V209-M213 HydrophobicContact CG1-CG 3.93Å; V209-M213 HydrophobicContact CG1-SD 3.56Å; V209-M213 VanDerWaalsContact CG1-SD 3.56Å; V209-M213 WeakPolarHBondContact O-CG 3.29Å; V209-M213 PolarHBondContact O-N 3.48Å
210G93.7Very high94.2Very high12 Ų1249.6 Ų49.612%0.12427%0.267CS..Iπ-helixtrans-56.1-54.5-17400000113.1L205 Y212 M213 L214L205-G210 PolarHBondContact O-N 2.76Å; G210-Y212 VanDerWaalsContact C-N 3.27Å; G210-Y212 PolarHBondContact O-N 3.08Å; G210-M213 PolarHBondContact O-N 2.77Å; G210-L214 WeakPolarHBondContact O-CB 3.29Å; G210-L214 PolarHBondContact O-N 3.31Å
211I95.6Very high93.8Very high1 Ų151.2 Ų51.21%0.00527%0.267CS..Hα-helixtrans-61.9-34.8-178.5-167.657.8000113A206 V209 Y215 M315 P316 W317A206-I211 WeakPolarHBondContact O-CB 3.29Å; A206-I211 WeakPolarHBondContact O-CG2 3.38Å; A206-I211 PolarHBondContact O-N 3Å; V209-I211 PolarHBondContact O-N 3.05Å; I211-Y215 HydrophobicContact CD1-CD2 4.16Å; I211-Y215 PolarHBondContact O-N 3.35Å; I211-M315 HydrophobicContact CB-CE 4.38Å; I211-M315 HydrophobicContact CG1-CE 3.73Å; I211-M315 HydrophobicContact CG2-CE 3.68Å; I211-P316 HydrophobicContact CD1-CG 4.09Å; I211-P316 HydrophobicContact CG1-CG 4.44Å; I211-W317 HydrophobicContact CB-CH2 3.67Å; I211-W317 HydrophobicContact CB-CZ2 4.17Å; I211-W317 HydrophobicContact CB-CZ3 3.92Å; I211-W317 HydrophobicContact CD1-CD2 4.11Å; I211-W317 HydrophobicContact CD1-CE3 3.73Å; I211-W317 HydrophobicContact CD1-CH2 4.29Å; I211-W317 HydrophobicContact CD1-CZ3 3.83Å; I211-W317 HydrophobicContact CG1-CD2 4.41Å; I211-W317 HydrophobicContact CG1-CE3 4.26Å; I211-W317 HydrophobicContact CG1-CH2 3.97Å; I211-W317 HydrophobicContact CG1-CZ2 4.12Å; I211-W317 HydrophobicContact CG1-CZ3 4.03Å; I211-W317 HydrophobicContact CG2-CH2 4.08Å; I211-W317 HydrophobicContact CG2-CZ2 4.3Å
212Y95Very high93.5Very high88 Ų8851.6 Ų51.635%0.34527%0.265SS..Hα-helixtrans-78.2-28.6179.3-63.8-69.4000112.9T208 V209 G210 Y215 P216 T218 I219 M315T208-Y212 VanDerWaalsContact O-CD2 3.26Å; T208-Y212 WeakPolarHBondContact O-CD2 3.38Å; V209-Y212 PolarHBondContact O-N 2.89Å; G210-Y212 VanDerWaalsContact C-N 3.27Å; G210-Y212 PolarHBondContact O-N 3.08Å; Y212-Y215 CarbonylContact O-C 3.48Å; Y212-P216 VanDerWaalsContact O-CA 3.23Å; Y212-P216 WeakPolarHBondContact O-CA 3.18Å; Y212-T218 HydrophobicContact CD1-CG2 3.5Å; Y212-T218 VanDerWaalsContact CD1-CG2 3.5Å; Y212-T218 HydrophobicContact CE1-CG2 3.75Å; Y212-I219 HydrophobicContact CD1-CG1 3.78Å; Y212-I219 HydrophobicContact CG-CG1 4.33Å; Y212-M315 HydrophobicContact CD1-CE 4.41Å; Y212-M315 HydrophobicContact CE1-CE 3.77Å
213M93.7Very high93.3Very high85 Ų8553.7 Ų53.742%0.41927%0.273SS..Hα-helixtrans-72.9-38.7170-74.1-177.967.400111.5V209 G210 L383 F384V209-M213 HydrophobicContact CG1-CG 3.93Å; V209-M213 HydrophobicContact CG1-SD 3.56Å; V209-M213 VanDerWaalsContact CG1-SD 3.56Å; V209-M213 WeakPolarHBondContact O-CG 3.29Å; V209-M213 PolarHBondContact O-N 3.48Å; G210-M213 PolarHBondContact O-N 2.77Å; M213-L383 HydrophobicContact CE-CB 4.38Å; M213-L383 HydrophobicContact CE-CD1 4.09Å; M213-F384 HydrophobicContact CE-CE1 4.45Å; M213-F384 HydrophobicContact CE-CE2 4.45Å; M213-F384 HydrophobicContact CE-CZ 3.89Å; M213-F384 HydrophobicContact SD-CE1 4.3Å; M213-F384 HydrophobicContact SD-CZ 3.81Å
214L96.1Very high93Very high18 Ų1855.7 Ų55.79%0.09428%0.281CS..Hα-helixtrans-68.9-44.1179.7-174.158.8000111.6G210 P216 N282 I349 L376 M400 L402G210-L214 WeakPolarHBondContact O-CB 3.29Å; G210-L214 PolarHBondContact O-N 3.31Å; L214-P216 WeakPolarHBondContact O-CD 3.31Å; L214-N282 WeakPolarHBondContact O-CB 3.39Å; L214-N282 PolarHBondContact O-ND2 3.36Å; L214-I349 HydrophobicContact CD1-CD1 3.47Å; L214-I349 VanDerWaalsContact CD1-CD1 3.47Å; L214-I349 HydrophobicContact CG-CD1 3.76Å; L214-L376 HydrophobicContact CD1-CD1 3.61Å; L214-L376 HydrophobicContact CD1-CD2 3.65Å; L214-L376 HydrophobicContact CD1-CG 4.31Å; L214-L376 HydrophobicContact CD2-CD2 3.94Å; L214-L376 HydrophobicContact CG-CD2 4.45Å; L214-M400 HydrophobicContact CB-SD 4.34Å; L214-M400 HydrophobicContact CD2-CB 3.92Å; L214-M400 HydrophobicContact CD2-CG 4Å; L214-M400 HydrophobicContact CD2-SD 3.86Å; L214-L402 HydrophobicContact CD1-CD1 4.16Å; L214-L402 HydrophobicContact CD2-CD1 4.1Å
215Y97.2Very high92.7Very high1 Ų157.1 Ų57.10%0.00429%0.286CS..  trans-125.971.1-178.9-74.3-85.9000112.1I211 Y212 G217 T218 N282 F309 P316 I349I211-Y215 HydrophobicContact CD1-CD2 4.16Å; I211-Y215 PolarHBondContact O-N 3.35Å; Y212-Y215 CarbonylContact O-C 3.48Å; Y215-G217 PolarHBondContact O-N 3.05Å; Y215-G217 VanDerWaalsContact O-N 3.07Å; Y215-T218 WeakPolarHBondContact O-CG2 3.46Å; Y215-T218 PolarHBondContact O-N 3.04Å; Y215-N282 HydrophobicContact CD1-CB 4.43Å; Y215-F309 AromaticContact CD1-CE2 3.95Å; Y215-F309 HydrophobicContact CD1-CE2 3.95Å; Y215-F309 AromaticContact CD1-CZ 3.76Å; Y215-F309 HydrophobicContact CD1-CZ 3.76Å; Y215-F309 HydrophobicContact CG-CE2 4.31Å; Y215-F309 HydrophobicContact CG-CZ 4.33Å; Y215-P316 HydrophobicContact CD1-CB 3.88Å; Y215-P316 HydrophobicContact CD1-CG 3.95Å; Y215-P316 HydrophobicContact CD2-CB 3.77Å; Y215-P316 HydrophobicContact CD2-CG 3.51Å; Y215-P316 HydrophobicContact CE1-CB 4.07Å; Y215-P316 HydrophobicContact CE2-CB 3.98Å; Y215-P316 HydrophobicContact CE2-CG 4.22Å; Y215-P316 VanDerWaalsContact CE2-O 3.31Å; Y215-P316 WeakPolarHBondContact CE2-O 3.46Å; Y215-P316 HydrophobicContact CG-CB 3.73Å; Y215-P316 HydrophobicContact CG-CG 3.36Å; Y215-I349 HydrophobicContact CD1-CD1 4.48Å; Y215-I349 HydrophobicContact CD2-CD1 4.35Å; Y215-I349 HydrophobicContact CE1-CD1 3.91Å; Y215-I349 HydrophobicContact CE1-CG1 4.35Å; Y215-I349 HydrophobicContact CE1-CG2 3.91Å; Y215-I349 HydrophobicContact CE2-CD1 3.75Å
216P95Very high92.7Very high27 Ų2755.8 Ų55.818%0.17528%0.281CS..G310 helixtrans-59.8-22.3-177.524.2-35.5000114Y212 L214 T218 I219 M222 N282 A283Y212-P216 VanDerWaalsContact O-CA 3.23Å; Y212-P216 WeakPolarHBondContact O-CA 3.18Å; L214-P216 WeakPolarHBondContact O-CD 3.31Å; P216-T218 PolarHBondContact O-N 3.31Å; P216-I219 HydrophobicContact CB-CD1 4.23Å; P216-I219 VanDerWaalsContact O-CB 3.32Å; P216-I219 WeakPolarHBondContact O-CB 3.34Å; P216-I219 WeakPolarHBondContact O-CG1 3.47Å; P216-I219 PolarHBondContact O-N 3.3Å; P216-M222 WeakPolarHBondContact O-CG 3.31Å; P216-N282 VanDerWaalsContact CD-O 3.27Å; P216-N282 WeakPolarHBondContact CD-O 3.5Å; P216-A283 HydrophobicContact CG-CB 4.22Å
217G94Very high92.6Very high2 Ų258.9 Ų58.92%0.02130%0.295CS..G310 helixtrans-61.7-18.2174.600000114.8Y215 I219 N282Y215-G217 PolarHBondContact O-N 3.05Å; Y215-G217 VanDerWaalsContact O-N 3.07Å; G217-I219 VanDerWaalsContact C-N 3.32Å; G217-N282 PolarHBondContact N-O 3.04Å; G217-N282 VanDerWaalsContact N-O 3.13Å
218T93.9Very high92.7Very high14 Ų1462.2 Ų62.29%0.08631%0.312CS..G310 helixtrans-78.8-14.7173.9-159.60000113.4Y212 Y215 P216 P220 G308 M315Y212-T218 HydrophobicContact CD1-CG2 3.5Å; Y212-T218 VanDerWaalsContact CD1-CG2 3.5Å; Y212-T218 HydrophobicContact CE1-CG2 3.75Å; Y215-T218 WeakPolarHBondContact O-CG2 3.46Å; Y215-T218 PolarHBondContact O-N 3.04Å; P216-T218 PolarHBondContact O-N 3.31Å; T218-P220 VanDerWaalsContact O-CD 3.28Å; T218-P220 WeakPolarHBondContact O-CD 3.48Å; T218-G308 WeakPolarHBondContact CA-O 3.17Å; T218-G308 PolarHBondContact OG1-O 2.87Å; T218-G308 VanDerWaalsContact OG1-O 3.06Å; T218-M315 HydrophobicContact CG2-CE 3.97Å
219I92.1Very high92.9Very high53 Ų5363.1 Ų63.127%0.27231%0.314SS..SBendtrans-68.3120.9-179.9-59170.9000108.6Y212 P216 G217 F221 M222 Y223Y212-I219 HydrophobicContact CD1-CG1 3.78Å; Y212-I219 HydrophobicContact CG-CG1 4.33Å; P216-I219 HydrophobicContact CB-CD1 4.23Å; P216-I219 VanDerWaalsContact O-CB 3.32Å; P216-I219 WeakPolarHBondContact O-CB 3.34Å; P216-I219 WeakPolarHBondContact O-CG1 3.47Å; P216-I219 PolarHBondContact O-N 3.3Å; G217-I219 VanDerWaalsContact C-N 3.32Å; I219-F221 HydrophobicContact CG2-CB 4.12Å; I219-F221 PolarHBondContact O-N 3.49Å; I219-M222 HydrophobicContact CB-CB 4.18Å; I219-M222 HydrophobicContact CB-CG 3.95Å; I219-M222 HydrophobicContact CD1-CG 4.35Å; I219-M222 HydrophobicContact CG2-CG 4.33Å; I219-M222 WeakPolarHBondContact O-CB 3.33Å; I219-M222 PolarHBondContact O-N 2.91Å; I219-Y223 PolarHBondContact O-N 2.84Å; I219-Y223 VanDerWaalsContact O-N 3.11Å
220P88.6Confident93.1Very high97 Ų9759.8 Ų59.863%0.6329%0.294SS*.Hα-helixtrans-57.3-29-176.2-28.835.9000114.5T218 R224T218-P220 VanDerWaalsContact O-CD 3.28Å; T218-P220 WeakPolarHBondContact O-CD 3.48Å; P220-R224 WeakPolarHBondContact O-CB 3.35Å; P220-R224 PolarHBondContact O-N 3.13Å; P220-R224 VanDerWaalsContact O-N 3.09Å
221F87.7Confident93.1Very high126 Ų12661.1 Ų61.155%0.55330%0.299SS*.Hα-helixtrans-69.2-44.1174.8178.4-105.6000112.6I219 R224 M225I219-F221 HydrophobicContact CG2-CB 4.12Å; I219-F221 PolarHBondContact O-N 3.49Å; F221-R224 WeakPolarHBondContact O-CB 3.31Å; F221-R224 PolarHBondContact O-N 3.03Å; F221-R224 VanDerWaalsContact O-N 3.17Å; F221-M225 HydrophobicContact CD1-CE 4.35Å; F221-M225 HydrophobicContact CD1-SD 4.06Å; F221-M225 HydrophobicContact CE1-CE 3.28Å; F221-M225 HydrophobicContact CE1-CG 4.39Å; F221-M225 HydrophobicContact CE1-SD 3.51Å; F221-M225 VanDerWaalsContact CE1-SD 3.51Å; F221-M225 HydrophobicContact CE2-CE 4.16Å; F221-M225 HydrophobicContact CZ-CE 3.18Å; F221-M225 HydrophobicContact CZ-CG 4.41Å; F221-M225 HydrophobicContact CZ-SD 3.92Å; F221-M225 PolarHBondContact O-N 2.9Å; F221-M225 VanDerWaalsContact O-N 3.12Å
222M87.6Confident93.1Very high71 Ų7166.6 Ų66.635%0.3533%0.326SS..Hα-helixtrans-60.7-47.3175.8-71.4-63.2-66.800110.6P216 I219 R224 M225 V226P216-M222 WeakPolarHBondContact O-CG 3.31Å; I219-M222 HydrophobicContact CB-CB 4.18Å; I219-M222 HydrophobicContact CB-CG 3.95Å; I219-M222 HydrophobicContact CD1-CG 4.35Å; I219-M222 HydrophobicContact CG2-CG 4.33Å; I219-M222 WeakPolarHBondContact O-CB 3.33Å; I219-M222 PolarHBondContact O-N 2.91Å; M222-R224 VanDerWaalsContact C-N 3.29Å; M222-R224 PolarHBondContact O-N 3.38Å; M222-M225 WeakPolarHBondContact O-CB 3.38Å; M222-M225 PolarHBondContact O-N 2.89Å; M222-M225 VanDerWaalsContact O-N 3.1Å; M222-M225 HydrophobicContact SD-SD 4.49Å; M222-V226 PolarHBondContact O-N 3.49Å
223Y89.4Confident93.2Very high45 Ų4562.7 Ų62.718%0.17631%0.312CS..Hα-helixtrans-55.4-43.5174173-113.4000112.2I219 M225 V226 K227 L230 F285I219-Y223 PolarHBondContact O-N 2.84Å; I219-Y223 VanDerWaalsContact O-N 3.11Å; Y223-M225 VanDerWaalsContact C-N 3.3Å; Y223-M225 PolarHBondContact O-N 2.73Å; Y223-V226 PolarHBondContact O-N 2.87Å; Y223-K227 HydrophobicContact CE1-CG 4.38Å; Y223-K227 HydrophobicContact CE2-CG 4.49Å; Y223-K227 WeakPolarHBondContact O-CA 3.46Å; Y223-K227 WeakPolarHBondContact O-CB 3.43Å; Y223-K227 PolarHBondContact O-N 3.46Å; Y223-L230 HydrophobicContact CD2-CD1 3.76Å; Y223-L230 HydrophobicContact CE2-CD1 3.64Å; Y223-F285 HydrophobicContact CD2-CE1 4.45Å
224R89.7Confident93.2Very high175 Ų17559.2 Ų59.266%0.6629%0.294SS*.Hα-helixtrans-60.8-37.2178-173.5-178.2-64.2-179.90.7112.7P220 F221 M222 V226P220-R224 WeakPolarHBondContact O-CB 3.35Å; P220-R224 PolarHBondContact O-N 3.13Å; P220-R224 VanDerWaalsContact O-N 3.09Å; F221-R224 WeakPolarHBondContact O-CB 3.31Å; F221-R224 PolarHBondContact O-N 3.03Å; F221-R224 VanDerWaalsContact O-N 3.17Å; M222-R224 VanDerWaalsContact C-N 3.29Å; M222-R224 PolarHBondContact O-N 3.38Å; R224-V226 VanDerWaalsContact C-N 3.32Å; R224-V226 PolarHBondContact O-N 3.27Å
225M91.1Very high93.1Very high122 Ų12263.4 Ų63.460%0.60131%0.309SS*.Hα-helixtrans-67-32.2179.7-72.8177.114400113.1F221 M222 Y223F221-M225 HydrophobicContact CD1-CE 4.35Å; F221-M225 HydrophobicContact CD1-SD 4.06Å; F221-M225 HydrophobicContact CE1-CE 3.28Å; F221-M225 HydrophobicContact CE1-CG 4.39Å; F221-M225 HydrophobicContact CE1-SD 3.51Å; F221-M225 VanDerWaalsContact CE1-SD 3.51Å; F221-M225 HydrophobicContact CE2-CE 4.16Å; F221-M225 HydrophobicContact CZ-CE 3.18Å; F221-M225 HydrophobicContact CZ-CG 4.41Å; F221-M225 HydrophobicContact CZ-SD 3.92Å; F221-M225 PolarHBondContact O-N 2.9Å; F221-M225 VanDerWaalsContact O-N 3.12Å; M222-M225 WeakPolarHBondContact O-CB 3.38Å; M222-M225 PolarHBondContact O-N 2.89Å; M222-M225 VanDerWaalsContact O-N 3.1Å; M222-M225 HydrophobicContact SD-SD 4.49Å; Y223-M225 VanDerWaalsContact C-N 3.3Å; Y223-M225 PolarHBondContact O-N 2.73Å
226V94Very high93Very high37 Ų3767.5 Ų67.522%0.22433%0.327CS..Hα-helixtrans-102.4-6.7-177.5-60.80000113.7M222 Y223 R224 D228 N229 L230 F285M222-V226 PolarHBondContact O-N 3.49Å; Y223-V226 PolarHBondContact O-N 2.87Å; R224-V226 VanDerWaalsContact C-N 3.32Å; R224-V226 PolarHBondContact O-N 3.27Å; V226-D228 VanDerWaalsContact C-N 3.29Å; V226-D228 PolarHBondContact O-N 2.8Å; V226-D228 VanDerWaalsContact O-N 3.12Å; V226-N229 WeakPolarHBondContact O-CA 3.25Å; V226-N229 WeakPolarHBondContact O-CB 3.12Å; V226-N229 PolarHBondContact O-N 2.83Å; V226-L230 HydrophobicContact CB-CG 4.42Å; V226-L230 HydrophobicContact CG2-CD1 3.77Å; V226-L230 HydrophobicContact CG2-CD2 4.47Å; V226-L230 HydrophobicContact CG2-CG 4.01Å; V226-L230 WeakPolarHBondContact O-CG 3.32Å; V226-L230 PolarHBondContact O-N 2.67Å; V226-F285 HydrophobicContact CG2-CD2 4.37Å; V226-F285 HydrophobicContact CG2-CE2 3.86Å; V226-F285 HydrophobicContact CG2-CZ 4.28Å
227K93.5Very high93Very high65 Ų6566.2 Ų66.228%0.28332%0.318SS..Hα-helixtrans-49-45.9-170.7-167.9-163.7-177-42.70113.6Y223 N229 L230 D231Y223-K227 HydrophobicContact CE1-CG 4.38Å; Y223-K227 HydrophobicContact CE2-CG 4.49Å; Y223-K227 WeakPolarHBondContact O-CA 3.46Å; Y223-K227 WeakPolarHBondContact O-CB 3.43Å; Y223-K227 PolarHBondContact O-N 3.46Å; K227-N229 VanDerWaalsContact C-N 3.32Å; K227-N229 PolarHBondContact O-N 3.41Å; K227-L230 WeakPolarHBondContact O-CB 3.35Å; K227-L230 PolarHBondContact O-N 3.32Å; K227-D231 IonicContact NZ-OD1 3.77Å; K227-D231 PolarHBondContact NZ-OD1 3.36Å; K227-D231 VanDerWaalsContact NZ-OD1 3.15Å; K227-D231 IonicContact NZ-OD2 3.64Å; K227-D231 PolarHBondContact NZ-OD2 3Å; K227-D231 PolarHBondContact O-N 3Å
228D94.1Very high92.9Very high127 Ų12766.9 Ų66.968%0.67932%0.321SS*.Hα-helixtrans-65.3-37.1-177.3-67.5-16.1000111.9V226 D231 M232V226-D228 VanDerWaalsContact C-N 3.29Å; V226-D228 PolarHBondContact O-N 2.8Å; V226-D228 VanDerWaalsContact O-N 3.12Å; D228-D231 PolarHBondContact O-N 3.22Å; D228-M232 WeakPolarHBondContact O-CB 3.33Å; D228-M232 PolarHBondContact O-N 2.92Å
229N96.7Very high92.8Very high89 Ų8968.7 Ų68.748%0.47633%0.329SS..Hα-helixtrans-67.8-39.7174.1-64.9-31.6000111.1V226 K227 M232 G233 I288V226-N229 WeakPolarHBondContact O-CA 3.25Å; V226-N229 WeakPolarHBondContact O-CB 3.12Å; V226-N229 PolarHBondContact O-N 2.83Å; K227-N229 VanDerWaalsContact C-N 3.32Å; K227-N229 PolarHBondContact O-N 3.41Å; N229-M232 PolarHBondContact O-N 2.86Å; N229-G233 PolarHBondContact O-N 3.03Å; N229-I288 HydrophobicContact CB-CG2 4.43Å; N229-I288 WeakPolarHBondContact O-CG2 3.46Å
230L96.4Very high92.8Very high0 Ų072.7 Ų72.70%035%0.346CS..Hα-helixtrans-63.9-43.6175.4-57.7-176000111.5Y223 V226 K227 M232 G233 R234 F285 E287 I288Y223-L230 HydrophobicContact CD2-CD1 3.76Å; Y223-L230 HydrophobicContact CE2-CD1 3.64Å; V226-L230 HydrophobicContact CB-CG 4.42Å; V226-L230 HydrophobicContact CG2-CD1 3.77Å; V226-L230 HydrophobicContact CG2-CD2 4.47Å; V226-L230 HydrophobicContact CG2-CG 4.01Å; V226-L230 WeakPolarHBondContact O-CG 3.32Å; V226-L230 PolarHBondContact O-N 2.67Å; K227-L230 WeakPolarHBondContact O-CB 3.35Å; K227-L230 PolarHBondContact O-N 3.32Å; L230-M232 VanDerWaalsContact C-N 3.33Å; L230-M232 PolarHBondContact O-N 3.17Å; L230-G233 PolarHBondContact O-N 3.11Å; L230-R234 VanDerWaalsContact O-CB 3.27Å; L230-R234 WeakPolarHBondContact O-CB 3.39Å; L230-R234 PolarHBondContact O-N 3Å; L230-F285 HydrophobicContact CD1-CB 4.44Å; L230-F285 HydrophobicContact CD1-CD1 3.78Å; L230-F285 HydrophobicContact CD1-CD2 4.27Å; L230-F285 HydrophobicContact CD1-CE1 4.04Å; L230-F285 HydrophobicContact CD1-CG 3.9Å; L230-F285 HydrophobicContact CD1-CZ 4.4Å; L230-F285 HydrophobicContact CD2-CB 3.42Å; L230-F285 VanDerWaalsContact CD2-CB 3.42Å; L230-F285 HydrophobicContact CD2-CD1 4.3Å; L230-F285 HydrophobicContact CD2-CD2 3.91Å; L230-F285 HydrophobicContact CD2-CG 3.63Å; L230-F285 HydrophobicContact CG-CG 4.43Å; L230-E287 HydrophobicContact CB-CB 4.31Å; L230-E287 HydrophobicContact CB-CG 4.37Å; L230-E287 HydrophobicContact CD2-CB 4.05Å; L230-E287 WeakPolarHBondContact O-CG 3.32Å; L230-I288 HydrophobicContact CD2-CD1 3.69Å; L230-I288 HydrophobicContact CD2-CG1 3.76Å; L230-I288 HydrophobicContact CD2-CG2 4.39Å
231D94Very high92.9Very high41 Ų4170.4 Ų70.422%0.21933%0.328CS..Hα-helixtrans-65-37.3177.3-70.7-13.4000112K227 D228 R234 R235K227-D231 IonicContact NZ-OD1 3.77Å; K227-D231 PolarHBondContact NZ-OD1 3.36Å; K227-D231 VanDerWaalsContact NZ-OD1 3.15Å; K227-D231 IonicContact NZ-OD2 3.64Å; K227-D231 PolarHBondContact NZ-OD2 3Å; K227-D231 PolarHBondContact O-N 3Å; D228-D231 PolarHBondContact O-N 3.22Å; D231-R234 IonicContact OD1-NH1 2.81Å; D231-R234 PolarHBondContact OD1-NH1 2.89Å; D231-R235 WeakPolarHBondContact O-CB 3.25Å; D231-R235 WeakPolarHBondContact O-CG 3.2Å; D231-R235 PolarHBondContact O-N 3.25Å; D231-R235 VanDerWaalsContact O-N 3.09Å; D231-R235 PolarHBondContact O-NE 3.27Å
232M94.9Very high93.1Very high116 Ų11666.3 Ų66.357%0.57132%0.322SS*.Hα-helixtrans-66.5-48.8174-171.2-176.1-54.900111.6D228 N229 L230 R234 R235 K236D228-M232 WeakPolarHBondContact O-CB 3.33Å; D228-M232 PolarHBondContact O-N 2.92Å; N229-M232 PolarHBondContact O-N 2.86Å; L230-M232 VanDerWaalsContact C-N 3.33Å; L230-M232 PolarHBondContact O-N 3.17Å; M232-R234 VanDerWaalsContact C-N 3.35Å; M232-R234 PolarHBondContact O-N 2.75Å; M232-R235 PolarHBondContact O-N 3Å; M232-K236 WeakPolarHBondContact O-CB 3.42Å; M232-K236 PolarHBondContact O-N 3.24Å
233G96.6Very high93.4Very high6 Ų663 Ų636%0.06231%0.306CS..Hα-helixtrans-60.7-42.3178.300000112.5N229 L230 K236 M237 E287 Y292N229-G233 PolarHBondContact O-N 3.03Å; L230-G233 PolarHBondContact O-N 3.11Å; G233-K236 WeakPolarHBondContact O-CB 3.42Å; G233-K236 PolarHBondContact O-N 2.8Å; G233-M237 WeakPolarHBondContact O-CG 3.35Å; G233-M237 PolarHBondContact O-N 3.37Å; G233-E287 CarbonylContact C-O 3.57Å; G233-E287 VanDerWaalsContact CA-O 3.23Å; G233-E287 WeakPolarHBondContact CA-O 3.5Å; G233-Y292 PolarHBondContact O-OH 2.83Å
234R95.6Very high93.6Very high12 Ų1261.1 Ų61.15%0.04530%0.3CS..Hα-helixtrans-63-44.5175.2-164.8178.7-55.4104.21.5112.6L230 D231 M232 M237 L238 M259 E287 H311L230-R234 VanDerWaalsContact O-CB 3.27Å; L230-R234 WeakPolarHBondContact O-CB 3.39Å; L230-R234 PolarHBondContact O-N 3Å; D231-R234 IonicContact OD1-NH1 2.81Å; D231-R234 PolarHBondContact OD1-NH1 2.89Å; M232-R234 VanDerWaalsContact C-N 3.35Å; M232-R234 PolarHBondContact O-N 2.75Å; R234-M237 PolarHBondContact O-N 2.74Å; R234-L238 HydrophobicContact CG-CD1 4.18Å; R234-L238 WeakPolarHBondContact O-CG 3.33Å; R234-L238 PolarHBondContact O-N 3.26Å; R234-M259 HydrophobicContact CG-CE 4.05Å; R234-E287 HydrophobicContact CB-CG 3.83Å; R234-E287 HydrophobicContact CG-CG 4.42Å; R234-E287 IonicContact CZ-OE1 3.39Å; R234-E287 IonicContact NE-OE1 3.22Å; R234-E287 PolarHBondContact NE-OE1 3.05Å; R234-E287 IonicContact NH2-OE1 2.78Å; R234-E287 PolarHBondContact NH2-OE1 3.32Å; R234-H311 PolarHBondContact NH2-CD2 2.84Å
235R93.6Very high93.9Very high106 Ų10653.8 Ų53.840%0.427%0.272SS..Hα-helixtrans-61.9-45176.4-81-172.3-71157.8-4.8111.3D231 M232 M237 L238 E239D231-R235 WeakPolarHBondContact O-CB 3.25Å; D231-R235 WeakPolarHBondContact O-CG 3.2Å; D231-R235 PolarHBondContact O-N 3.25Å; D231-R235 VanDerWaalsContact O-N 3.09Å; D231-R235 PolarHBondContact O-NE 3.27Å; M232-R235 PolarHBondContact O-N 3Å; R235-M237 VanDerWaalsContact C-N 3.31Å; R235-M237 PolarHBondContact O-N 3.24Å; R235-L238 PolarHBondContact O-N 3.28Å; R235-E239 VanDerWaalsContact O-CB 3.32Å; R235-E239 WeakPolarHBondContact O-CB 3.29Å; R235-E239 WeakPolarHBondContact O-CG 3.46Å; R235-E239 PolarHBondContact O-N 3.28Å
236K94.6Very high94.1Very high86 Ų8649 Ų4937%0.37425%0.248SC..Hα-helixtrans-53.6-47.7173179.3172.5-173.4-179.30112M232 G233 L238 E240 L241 Y292M232-K236 WeakPolarHBondContact O-CB 3.42Å; M232-K236 PolarHBondContact O-N 3.24Å; G233-K236 WeakPolarHBondContact O-CB 3.42Å; G233-K236 PolarHBondContact O-N 2.8Å; K236-L238 VanDerWaalsContact C-N 3.32Å; K236-L238 PolarHBondContact O-N 2.96Å; K236-E240 HydrophobicContact CG-CB 4.38Å; K236-E240 WeakPolarHBondContact O-CA 3.4Å; K236-E240 WeakPolarHBondContact O-CB 3.28Å; K236-E240 PolarHBondContact O-N 3.35Å; K236-L241 PolarHBondContact O-N 2.85Å; K236-L241 VanDerWaalsContact O-N 3.13Å; K236-Y292 HydrophobicContact CD-CE1 4.14Å
237M94.8Very high94.3Very high0 Ų047.6 Ų47.60%024%0.238CC..Hα-helixtrans-61.5-38.8177-70.3-172.3174.500113G233 R234 R235 L241 G242 G243 M259 Y286 A291 Y292 L295G233-M237 WeakPolarHBondContact O-CG 3.35Å; G233-M237 PolarHBondContact O-N 3.37Å; R234-M237 PolarHBondContact O-N 2.74Å; R235-M237 VanDerWaalsContact C-N 3.31Å; R235-M237 PolarHBondContact O-N 3.24Å; M237-L241 HydrophobicContact CG-CD1 4.31Å; M237-L241 CarbonylContact O-C 3.5Å; M237-G242 PolarHBondContact O-N 3.48Å; M237-G243 WeakPolarHBondContact O-CA 3.37Å; M237-G243 PolarHBondContact O-N 3.46Å; M237-M259 HydrophobicContact CB-CE 4.22Å; M237-M259 HydrophobicContact CB-CG 4.08Å; M237-M259 HydrophobicContact CB-SD 4.18Å; M237-M259 HydrophobicContact SD-CB 4.24Å; M237-M259 HydrophobicContact SD-CG 3.73Å; M237-Y286 HydrophobicContact CE-CD2 4.2Å; M237-Y286 WeakPolarHBondContact CE-O 3.37Å; M237-Y286 HydrophobicContact SD-CD2 3.71Å; M237-Y286 HydrophobicContact SD-CE2 3.78Å; M237-A291 HydrophobicContact CE-CB 4.06Å; M237-Y292 HydrophobicContact CE-CD2 4.19Å; M237-Y292 HydrophobicContact CE-CE1 4.28Å; M237-Y292 HydrophobicContact CE-CE2 3.54Å; M237-L295 HydrophobicContact CE-CD1 4.47Å
238L93Very high94.5Very high16 Ų1644.5 Ų44.58%0.08423%0.225CC..Hα-helixtrans-79.6-35.6-177.6-72.3171.8000114.8R25 F32 R234 R235 K236 G243 R245 M259R25-L238 PolarHBondContact NH1-O 2.93Å; F32-L238 HydrophobicContact CE2-CB 4.33Å; F32-L238 HydrophobicContact CE2-CD1 4.3Å; R234-L238 HydrophobicContact CG-CD1 4.18Å; R234-L238 WeakPolarHBondContact O-CG 3.33Å; R234-L238 PolarHBondContact O-N 3.26Å; R235-L238 PolarHBondContact O-N 3.28Å; K236-L238 VanDerWaalsContact C-N 3.32Å; K236-L238 PolarHBondContact O-N 2.96Å; L238-G243 WeakPolarHBondContact CD2-O 3.34Å; L238-R245 HydrophobicContact CD2-CB 4.18Å; L238-M259 HydrophobicContact CD2-CE 3.77Å; L238-M259 HydrophobicContact CD2-SD 3.97Å; L238-M259 HydrophobicContact CG-CE 3.84Å; L238-M259 HydrophobicContact CG-SD 4.46Å
239E91.5Very high94.6Very high53 Ų5340.8 Ų40.825%0.24820%0.204CC..Hα-helixtrans-99.3-42.6-170.9-62.9-177.4141.100112F32 R235F32-E239 WeakPolarHBondContact CB-OE1 3.33Å; F32-E239 HydrophobicContact CD2-CG 3.88Å; F32-E239 VanDerWaalsContact CD2-OE1 3.24Å; F32-E239 WeakPolarHBondContact CD2-OE1 3.46Å; F32-E239 HydrophobicContact CE2-CG 4.29Å; F32-E239 PolarHBondContact N-OE1 3.02Å; R235-E239 VanDerWaalsContact O-CB 3.32Å; R235-E239 WeakPolarHBondContact O-CB 3.29Å; R235-E239 WeakPolarHBondContact O-CG 3.46Å; R235-E239 PolarHBondContact O-N 3.28Å
240E91.3Very high94.7Very high137 Ų13736.8 Ų36.864%0.6418%0.183SC*.THydrogen-bonded Turntrans-97.8-37.2-174.5-59.8175.1-157.800112.1K236K236-E240 HydrophobicContact CG-CB 4.38Å; K236-E240 WeakPolarHBondContact O-CA 3.4Å; K236-E240 WeakPolarHBondContact O-CB 3.28Å; K236-E240 PolarHBondContact O-N 3.35Å
241L92Very high94.6Very high48 Ų4843.2 Ų43.225%0.25121%0.211SC..SBendtrans-990.6-174-52.7-179.1000113.9K236 M237 G243 L261 Y292 L295K236-L241 PolarHBondContact O-N 2.85Å; K236-L241 VanDerWaalsContact O-N 3.13Å; M237-L241 HydrophobicContact CG-CD1 4.31Å; M237-L241 CarbonylContact O-C 3.5Å; L241-G243 VanDerWaalsContact C-N 3.28Å; L241-G243 PolarHBondContact O-N 3.02Å; L241-L261 HydrophobicContact CB-CD2 3.57Å; L241-L261 HydrophobicContact CD1-CD2 4.43Å; L241-Y292 HydrophobicContact CD1-CD1 4.4Å; L241-Y292 HydrophobicContact CD1-CE1 3.97Å; L241-L295 HydrophobicContact CD1-CD1 3.99Å
242G90.1Very high94.7Very high41 Ų4148.1 Ų48.142%0.42323%0.226SC..  trans71.516.3175.900000115.1R28 M237R28-G242 PolarHBondContact NH2-O 3.45Å; M237-G242 PolarHBondContact O-N 3.48Å
243G94.3Very high94.8Very high0 Ų044.6 Ų44.60%022%0.219CC..  trans-65159.2-178.400000114.6R28 M237 L238 L241 F260R28-G243 PolarHBondContact NH2-O 2.92Å; M237-G243 WeakPolarHBondContact O-CA 3.37Å; M237-G243 PolarHBondContact O-N 3.46Å; L238-G243 WeakPolarHBondContact CD2-O 3.34Å; L241-G243 VanDerWaalsContact C-N 3.28Å; L241-G243 PolarHBondContact O-N 3.02Å; G243-F260 WeakPolarHBondContact CA-O 3.47Å
244S94Very high94.8Very high7 Ų744.7 Ų44.75%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-120.3124.2172.4-80.10000109.8R28 Q132 F246 M259 F260R28-S244 PolarHBondContact NH1-OG 3.04Å; R28-S244 PolarHBondContact NH2-OG 2.9Å; Q132-S244 VanDerWaalsContact NE2-CB 3.33Å; Q132-S244 PolarHBondContact NE2-OG 3.19Å; Q132-S244 PolarHBondContact OE1-OG 3.28Å; S244-F246 VanDerWaalsContact O-CD2 3.31Å; S244-F246 WeakPolarHBondContact O-CD2 3.48Å; S244-M259 VanDerWaalsContact C-SD 3.54Å; S244-F260 PolarHBondContact N-O 2.92Å; S244-F260 PolarHBondContact O-N 3.23Å
245R95.4Very high95Very high20 Ų2046.6 Ų46.68%0.07523%0.23CC..EExtended strand (participates in β ladder)trans-84.9137.8172.8-164.3-178-173.3-1751.1110.4F138 L238 D257 C258 M259 H311F138-R245 HydrophobicContact CD2-CG 4.44Å; F138-R245 HydrophobicContact CE2-CG 3.72Å; F138-R245 VanDerWaalsContact CG-CZ 3.42Å; F138-R245 HydrophobicContact CZ-CG 4.12Å; L238-R245 HydrophobicContact CD2-CB 4.18Å; R245-D257 WeakPolarHBondContact CG-OD1 3.32Å; R245-D257 IonicContact CZ-OD1 3.5Å; R245-D257 IonicContact CZ-OD2 4Å; R245-D257 IonicContact NE-OD1 3.75Å; R245-D257 PolarHBondContact NE-OD1 3.33Å; R245-D257 IonicContact NE-OD2 3.91Å; R245-D257 PolarHBondContact NE-OD2 2.94Å; R245-D257 IonicContact NH2-OD1 2.72Å; R245-D257 IonicContact NH2-OD2 2.85Å; R245-D257 PolarHBondContact NH2-OD2 2.6Å; R245-C258 CarbonylContact C-O 3.58Å; R245-C258 VanDerWaalsContact CA-O 3.31Å; R245-C258 WeakPolarHBondContact CA-O 3.47Å; R245-M259 HydrophobicContact CB-CE 3.86Å; R245-M259 HydrophobicContact CB-SD 4.48Å; R245-M259 HydrophobicContact CG-CE 4.17Å; R245-H311 PolarHBondContact NH2-CD2 3.08Å
246F96.2Very high95.2Very high22 Ų2241.5 Ų41.510%0.09621%0.211CC..EExtended strand (participates in β ladder)trans-134.9147.9-179.1-68.8-84.1000110.8E144 S244 L248 C258 F260 F331E144-F246 HydrophobicContact CB-CD1 3.91Å; E144-F246 HydrophobicContact CG-CD1 4.14Å; S244-F246 VanDerWaalsContact O-CD2 3.31Å; S244-F246 WeakPolarHBondContact O-CD2 3.48Å; F246-L248 HydrophobicContact CB-CD2 4.1Å; F246-C258 PolarHBondContact N-O 2.84Å; F246-C258 PolarHBondContact O-N 3.05Å; F246-F260 HydrophobicContact CD2-CB 3.9Å; F246-F260 HydrophobicContact CE2-CB 3.8Å; F246-F260 AromaticContact CE2-CD1 3.89Å; F246-F260 HydrophobicContact CE2-CD1 3.89Å; F246-F260 HydrophobicContact CE2-CG 4.36Å; F246-F331 HydrophobicContact CB-CZ 4.29Å; F246-F331 HydrophobicContact CD1-CE2 4.19Å; F246-F331 AromaticContact CD1-CZ 3.92Å; F246-F331 HydrophobicContact CD1-CZ 3.92Å; F246-F331 HydrophobicContact CD2-CE1 4.15Å; F246-F331 AromaticContact CD2-CZ 3.65Å; F246-F331 HydrophobicContact CD2-CZ 3.65Å; F246-F331 HydrophobicContact CE1-CE2 4.44Å; F246-F331 HydrophobicContact CE1-CZ 4.1Å; F246-F331 HydrophobicContact CE2-CE1 4.46Å; F246-F331 AromaticContact CE2-CZ 3.83Å; F246-F331 HydrophobicContact CE2-CZ 3.83Å; F246-F331 HydrophobicContact CG-CE1 4.44Å; F246-F331 HydrophobicContact CG-CE2 4.28Å; F246-F331 AromaticContact CG-CZ 3.69Å; F246-F331 HydrophobicContact CG-CZ 3.69Å; F246-F331 HydrophobicContact CZ-CZ 4.05Å
247K97.2Very high95.3Very high7 Ų737.4 Ų37.43%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-104118.2167.1-175.1177.6-72.4175.90110.1F138 S139 H141 V143 E144 L255 L256F138-K247 HydrophobicContact CE1-CB 4.17Å; F138-K247 HydrophobicContact CE1-CG 4.41Å; F138-K247 HydrophobicContact CZ-CB 3.78Å; F138-K247 WeakPolarHBondContact O-CE 3.48Å; F138-K247 PolarHBondContact O-NZ 3.18Å; S139-K247 PolarHBondContact O-NZ 3.11Å; H141-K247 WeakPolarHBondContact O-CD 3.31Å; H141-K247 VanDerWaalsContact O-CE 3.3Å; H141-K247 WeakPolarHBondContact O-CE 3.3Å; H141-K247 PolarHBondContact O-NZ 3.13Å; V143-K247 HydrophobicContact CG2-CD 3.91Å; V143-K247 HydrophobicContact CG2-CG 4.2Å; E144-K247 PolarHBondContact N-O 3.44Å; E144-K247 PolarHBondContact OE2-N 3.45Å; K247-L255 HydrophobicContact CD-CB 4.33Å; K247-L255 HydrophobicContact CD-CD1 4.25Å; K247-L255 HydrophobicContact CD-CD2 4.32Å; K247-L255 HydrophobicContact CG-CB 4.35Å; K247-L256 WeakPolarHBondContact CA-O 3.33Å
248L97.7Very high95.5Very high0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-103.2145.7175.7-41.6-177000109.8Y145 F246 L255 L256 C258 V327 V328 F331Y145-L248 CarbonylContact O-C 3.59Å; Y145-L248 WeakPolarHBondContact O-CA 3.36Å; F246-L248 HydrophobicContact CB-CD2 4.1Å; L248-L255 CarbonylContact O-C 3.49Å; L248-L255 VanDerWaalsContact O-CA 3.3Å; L248-L255 WeakPolarHBondContact O-CA 3.4Å; L248-L256 HydrophobicContact CB-CB 4.32Å; L248-L256 PolarHBondContact N-O 2.7Å; L248-L256 VanDerWaalsContact N-O 3.1Å; L248-L256 PolarHBondContact O-N 3.18Å; L248-C258 HydrophobicContact CD1-CB 4.28Å; L248-C258 WeakPolarHBondContact CD1-SG 3.46Å; L248-C258 HydrophobicContact CG-CB 4.37Å; L248-V327 HydrophobicContact CB-CG1 4.15Å; L248-V327 HydrophobicContact CB-CG2 4.16Å; L248-V327 HydrophobicContact CD1-CG1 4.43Å; L248-V328 HydrophobicContact CD1-CG2 4.03Å; L248-F331 HydrophobicContact CD1-CB 3.98Å; L248-F331 HydrophobicContact CD1-CD1 4.42Å; L248-F331 HydrophobicContact CD1-CG 4.18Å; L248-F331 HydrophobicContact CD2-CB 4.24Å; L248-F331 HydrophobicContact CD2-CD1 4.31Å; L248-F331 HydrophobicContact CD2-CD2 3.69Å; L248-F331 HydrophobicContact CD2-CE2 4.05Å; L248-F331 HydrophobicContact CD2-CG 3.81Å
249E97.7Very high95.7Very high49 Ų4936.7 Ų36.723%0.22919%0.189CC..EExtended strand (participates in β ladder)trans-113.7119.2174-178.3-179.516500109.4V143 Y145 K146 W147 S254 L255V143-E249 HydrophobicContact CG1-CB 3.71Å; V143-E249 HydrophobicContact CG2-CB 4.41Å; Y145-E249 PolarHBondContact O-N 3.25Å; K146-E249 WeakPolarHBondContact CE-OE2 3.48Å; K146-E249 HydrophobicContact CG-CB 4.19Å; K146-E249 IonicContact NZ-OE1 3.55Å; K146-E249 IonicContact NZ-OE2 3.61Å; K146-E249 PolarHBondContact NZ-OE2 2.96Å; W147-E249 WeakPolarHBondContact CB-O 3.22Å; W147-E249 PolarHBondContact N-O 3.04Å; E249-S254 WeakPolarHBondContact CA-O 3.42Å; E249-L255 HydrophobicContact CB-CD2 3.94Å; E249-L255 HydrophobicContact CG-CD2 4Å
250T97.6Very high96.1Very high6 Ų634.6 Ų34.64%0.03718%0.179CC..  trans-72.2170.3-17876.20000111.7R252 G253 S254 L256 A324 V327T250-R252 PolarHBondContact O-N 3.23Å; T250-R252 VanDerWaalsContact O-N 3.1Å; T250-R252 PolarHBondContact OG1-N 2.86Å; T250-R252 VanDerWaalsContact OG1-N 3.11Å; T250-G253 PolarHBondContact O-N 3.23Å; T250-G253 PolarHBondContact OG1-N 3.39Å; T250-S254 WeakPolarHBondContact CG2-O 3.22Å; T250-S254 VanDerWaalsContact CG2-OG 3.3Å; T250-S254 WeakPolarHBondContact CG2-OG 3.5Å; T250-S254 PolarHBondContact N-O 2.97Å; T250-S254 PolarHBondContact OG1-N 3.04Å; T250-S254 PolarHBondContact OG1-O 2.89Å; T250-S254 PolarHBondContact OG1-OG 3.33Å; T250-L256 HydrophobicContact CG2-CD1 4.01Å; T250-L256 HydrophobicContact CG2-CD2 4.34Å; T250-L256 HydrophobicContact CG2-CG 3.95Å; T250-A324 HydrophobicContact CG2-CB 4.38Å; T250-V327 HydrophobicContact CG2-CG1 3.86Å
251K95Very high96.3Very high135 Ų13528.2 Ų28.259%0.58715%0.149SC*.THydrogen-bonded Turntrans-52.6-30.1170-173.7176.8-175.7170.90113.3W147W147-K251 HydrophobicContact CD2-CB 3.55Å; W147-K251 HydrophobicContact CD2-CD 4.36Å; W147-K251 HydrophobicContact CD2-CG 3.9Å; W147-K251 HydrophobicContact CE3-CB 3.92Å; W147-K251 HydrophobicContact CE3-CD 4.5Å; W147-K251 HydrophobicContact CE3-CG 3.84Å; W147-K251 HydrophobicContact CG-CB 3.8Å; W147-K251 HydrophobicContact CH2-CD 3.8Å; W147-K251 HydrophobicContact CH2-CG 3.98Å; W147-K251 HydrophobicContact CZ2-CB 4.33Å; W147-K251 HydrophobicContact CZ2-CD 3.62Å; W147-K251 HydrophobicContact CZ2-CG 4.02Å; W147-K251 HydrophobicContact CZ3-CB 4.44Å; W147-K251 HydrophobicContact CZ3-CD 4.23Å; W147-K251 HydrophobicContact CZ3-CG 3.88Å
252R95.7Very high96.5Very high144 Ų14428.7 Ų28.754%0.54315%0.152SC..THydrogen-bonded Turntrans-92.3-0.4-175.3-58.3-174.962.788.22.6112.5T250 S254 E319 E320 A323T250-R252 PolarHBondContact O-N 3.23Å; T250-R252 VanDerWaalsContact O-N 3.1Å; T250-R252 PolarHBondContact OG1-N 2.86Å; T250-R252 VanDerWaalsContact OG1-N 3.11Å; R252-S254 VanDerWaalsContact C-N 3.28Å; R252-E319 WeakPolarHBondContact CD-O 3.42Å; R252-E320 WeakPolarHBondContact CD-OE1 3.28Å; R252-E320 IonicContact CZ-OE1 3.53Å; R252-E320 VanDerWaalsContact NE-CD 3.32Å; R252-E320 IonicContact NE-OE1 3.55Å; R252-E320 PolarHBondContact NE-OE1 2.91Å; R252-E320 IonicContact NE-OE2 2.67Å; R252-E320 IonicContact NH2-OE1 3.69Å; R252-A323 HydrophobicContact CG-CB 3.81Å
253G96.8Very high96.7Very high42 Ų4228.7 Ų28.743%0.43314%0.139SC..SBendtrans82.21.4-179.500000114T250T250-G253 PolarHBondContact O-N 3.23Å; T250-G253 PolarHBondContact OG1-N 3.39Å
254S97.2Very high96.8Very high8 Ų832.6 Ų32.66%0.05615%0.154CC..  trans-66.7139.2169.144.10000110E249 T250 R252 E320E249-S254 WeakPolarHBondContact CA-O 3.42Å; T250-S254 WeakPolarHBondContact CG2-O 3.22Å; T250-S254 VanDerWaalsContact CG2-OG 3.3Å; T250-S254 WeakPolarHBondContact CG2-OG 3.5Å; T250-S254 PolarHBondContact N-O 2.97Å; T250-S254 PolarHBondContact OG1-N 3.04Å; T250-S254 PolarHBondContact OG1-O 2.89Å; T250-S254 PolarHBondContact OG1-OG 3.33Å; R252-S254 VanDerWaalsContact C-N 3.28Å; S254-E320 WeakPolarHBondContact CB-OE2 3.41Å; S254-E320 PolarHBondContact OG-OE2 3.04Å
255L98.4Very high96.5Very high51 Ų5139.7 Ų39.727%0.26719%0.192SC..EExtended strand (participates in β ladder)trans-97.6130.2177.6-55.3173.6000109.7V143 K247 L248 E249 S312 S313V143-L255 HydrophobicContact CG2-CD2 3.75Å; K247-L255 HydrophobicContact CD-CB 4.33Å; K247-L255 HydrophobicContact CD-CD1 4.25Å; K247-L255 HydrophobicContact CD-CD2 4.32Å; K247-L255 HydrophobicContact CG-CB 4.35Å; L248-L255 CarbonylContact O-C 3.49Å; L248-L255 VanDerWaalsContact O-CA 3.3Å; L248-L255 WeakPolarHBondContact O-CA 3.4Å; E249-L255 HydrophobicContact CB-CD2 3.94Å; E249-L255 HydrophobicContact CG-CD2 4Å; L255-S312 CarbonylContact O-C 3.57Å; L255-S312 VanDerWaalsContact O-CA 3.29Å; L255-S312 WeakPolarHBondContact O-CA 3.36Å; L255-S313 WeakPolarHBondContact CB-OG 3.19Å; L255-S313 PolarHBondContact N-OG 2.83Å; L255-S313 PolarHBondContact O-N 2.81Å; L255-S313 PolarHBondContact O-OG 2.8Å
256L98.4Very high96.1Very high0 Ų041.3 Ų41.30%021%0.206CC..EExtended strand (participates in β ladder)trans-108.3141.4178.1-57.7179.8000111.6K247 L248 T250 W304 P307 S312 A324 V327 V328K247-L256 WeakPolarHBondContact CA-O 3.33Å; L248-L256 HydrophobicContact CB-CB 4.32Å; L248-L256 PolarHBondContact N-O 2.7Å; L248-L256 VanDerWaalsContact N-O 3.1Å; L248-L256 PolarHBondContact O-N 3.18Å; T250-L256 HydrophobicContact CG2-CD1 4.01Å; T250-L256 HydrophobicContact CG2-CD2 4.34Å; T250-L256 HydrophobicContact CG2-CG 3.95Å; L256-W304 HydrophobicContact CD1-CE3 4.41Å; L256-P307 HydrophobicContact CD2-CG 4.18Å; L256-S312 WeakPolarHBondContact CA-OG 3.27Å; L256-A324 HydrophobicContact CD1-CB 3.67Å; L256-A324 HydrophobicContact CD2-CB 3.9Å; L256-A324 HydrophobicContact CG-CB 4.36Å; L256-V327 HydrophobicContact CD1-CG1 3.64Å; L256-V328 HydrophobicContact CD1-CG2 4.07Å
257D97.8Very high95.3Very high0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-93.6117.8166.5-174.515.4000110F138 R245 N305 H311 S312F138-D257 HydrophobicContact CD1-CB 4.29Å; F138-D257 HydrophobicContact CE1-CB 3.71Å; F138-D257 HydrophobicContact CZ-CB 4.38Å; F138-D257 WeakPolarHBondContact CZ-OD1 3.29Å; R245-D257 WeakPolarHBondContact CG-OD1 3.32Å; R245-D257 IonicContact CZ-OD1 3.5Å; R245-D257 IonicContact CZ-OD2 4Å; R245-D257 IonicContact NE-OD1 3.75Å; R245-D257 PolarHBondContact NE-OD1 3.33Å; R245-D257 IonicContact NE-OD2 3.91Å; R245-D257 PolarHBondContact NE-OD2 2.94Å; R245-D257 IonicContact NH2-OD1 2.72Å; R245-D257 IonicContact NH2-OD2 2.85Å; R245-D257 PolarHBondContact NH2-OD2 2.6Å; D257-N305 PolarHBondContact O-N 3Å; D257-N305 VanDerWaalsContact O-N 3.1Å; D257-H311 HydrophobicContact CB-CB 4.06Å; D257-H311 WeakPolarHBondContact OD2-CB 3.32Å; D257-H311 IonicContact OD2-CD2 3.26Å; D257-H311 IonicContact OD2-CG 3.3Å; D257-S312 PolarHBondContact N-OG 2.73Å
258C98.1Very high94.3Very high0 Ų057.4 Ų57.40%029%0.286CS..EExtended strand (participates in β ladder)trans-128.2146.5-176.6-54.60000111.4R245 F246 L248 L302 A303 W304R245-C258 CarbonylContact C-O 3.58Å; R245-C258 VanDerWaalsContact CA-O 3.31Å; R245-C258 WeakPolarHBondContact CA-O 3.47Å; F246-C258 PolarHBondContact N-O 2.84Å; F246-C258 PolarHBondContact O-N 3.05Å; L248-C258 HydrophobicContact CD1-CB 4.28Å; L248-C258 WeakPolarHBondContact CD1-SG 3.46Å; L248-C258 HydrophobicContact CG-CB 4.37Å; C258-L302 HydrophobicContact CB-CD1 4.5Å; C258-A303 CarbonylContact C-O 3.56Å; C258-A303 VanDerWaalsContact CA-O 3.24Å; C258-A303 WeakPolarHBondContact CA-O 3.48Å; C258-W304 HydrophobicContact CB-CB 4.27Å; C258-W304 VanDerWaalsContact SG-CB 3.52Å
259M98.1Very high93.5Very high0 Ų058.1 Ų58.10%029%0.292CS..EExtended strand (participates in β ladder)trans-117.1123.8172.1-17463.759.100110.2R234 M237 L238 S244 R245 L261 Y286 A303R234-M259 HydrophobicContact CG-CE 4.05Å; M237-M259 HydrophobicContact CB-CE 4.22Å; M237-M259 HydrophobicContact CB-CG 4.08Å; M237-M259 HydrophobicContact CB-SD 4.18Å; M237-M259 HydrophobicContact SD-CB 4.24Å; M237-M259 HydrophobicContact SD-CG 3.73Å; L238-M259 HydrophobicContact CD2-CE 3.77Å; L238-M259 HydrophobicContact CD2-SD 3.97Å; L238-M259 HydrophobicContact CG-CE 3.84Å; L238-M259 HydrophobicContact CG-SD 4.46Å; S244-M259 VanDerWaalsContact C-SD 3.54Å; R245-M259 HydrophobicContact CB-CE 3.86Å; R245-M259 HydrophobicContact CB-SD 4.48Å; R245-M259 HydrophobicContact CG-CE 4.17Å; M259-L261 HydrophobicContact CG-CD1 3.67Å; M259-L261 HydrophobicContact CG-CG 4.37Å; M259-Y286 HydrophobicContact CB-CD2 3.76Å; M259-Y286 HydrophobicContact CB-CE2 3.36Å; M259-Y286 HydrophobicContact CE-CE2 4.14Å; M259-Y286 HydrophobicContact CG-CE2 4.13Å; M259-A303 PolarHBondContact N-O 3.37Å; M259-A303 PolarHBondContact O-N 3.37Å
260F98.1Very high92.9Very high10 Ų1061.7 Ų61.74%0.04432%0.317CS..EExtended strand (participates in β ladder)trans-117.1122.4-180179.4-133.2000110.6G243 S244 F246 D262 L275 L302 F331 N335 F337G243-F260 WeakPolarHBondContact CA-O 3.47Å; S244-F260 PolarHBondContact N-O 2.92Å; S244-F260 PolarHBondContact O-N 3.23Å; F246-F260 HydrophobicContact CD2-CB 3.9Å; F246-F260 HydrophobicContact CE2-CB 3.8Å; F246-F260 AromaticContact CE2-CD1 3.89Å; F246-F260 HydrophobicContact CE2-CD1 3.89Å; F246-F260 HydrophobicContact CE2-CG 4.36Å; F260-D262 HydrophobicContact CD1-CB 4.46Å; F260-D262 HydrophobicContact CE1-CB 3.79Å; F260-D262 HydrophobicContact CE2-CB 4.24Å; F260-D262 HydrophobicContact CZ-CB 3.68Å; F260-L275 HydrophobicContact CD2-CD1 4.4Å; F260-L275 HydrophobicContact CE2-CD1 3.94Å; F260-L302 HydrophobicContact CB-CD1 3.94Å; F260-L302 HydrophobicContact CD2-CB 4.19Å; F260-L302 HydrophobicContact CD2-CD1 4.11Å; F260-L302 HydrophobicContact CG-CD1 4.36Å; F260-F331 HydrophobicContact CB-CE1 4.22Å; F260-F331 HydrophobicContact CD1-CE1 4.27Å; F260-F331 HydrophobicContact CD1-CZ 4.48Å; F260-F331 HydrophobicContact CG-CE1 4.19Å; F260-N335 HydrophobicContact CE1-CB 4.1Å; F260-N335 HydrophobicContact CZ-CB 4Å; F260-F337 HydrophobicContact CE2-CD2 4.42Å; F260-F337 AromaticContact CE2-CE2 3.83Å; F260-F337 HydrophobicContact CE2-CE2 3.83Å; F260-F337 HydrophobicContact CZ-CD2 4.3Å; F260-F337 AromaticContact CZ-CE2 3.71Å; F260-F337 HydrophobicContact CZ-CE2 3.71Å
261L96.6Very high92.7Very high2 Ų264 Ų641%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-116.986.1179-57.898.2000108.2L241 M259 R263 L295 S300 V301L241-L261 HydrophobicContact CB-CD2 3.57Å; L241-L261 HydrophobicContact CD1-CD2 4.43Å; M259-L261 HydrophobicContact CG-CD1 3.67Å; M259-L261 HydrophobicContact CG-CG 4.37Å; L261-R263 PolarHBondContact O-N 3.24Å; L261-L295 HydrophobicContact CB-CD2 3.95Å; L261-L295 HydrophobicContact CD1-CD1 4.2Å; L261-L295 HydrophobicContact CD1-CD2 4.23Å; L261-L295 HydrophobicContact CD2-CD1 3.99Å; L261-L295 HydrophobicContact CD2-CD2 3.75Å; L261-L295 HydrophobicContact CG-CD2 4.18Å; L261-S300 CarbonylContact O-C 3.6Å; L261-S300 VanDerWaalsContact O-CA 3.24Å; L261-S300 WeakPolarHBondContact O-CA 3.31Å; L261-S300 WeakPolarHBondContact O-CB 3.23Å; L261-V301 HydrophobicContact CD1-CB 4.26Å; L261-V301 HydrophobicContact CD1-CG1 4.44Å; L261-V301 PolarHBondContact N-O 3.27Å; L261-V301 PolarHBondContact O-N 3.46Å
262D96.2Very high92.7Very high59 Ų5957.9 Ų57.932%0.31630%0.304SS..  trans-80.6109.3175.3-171.8-8.3000110.3F260 R264F260-D262 HydrophobicContact CD1-CB 4.46Å; F260-D262 HydrophobicContact CE1-CB 3.79Å; F260-D262 HydrophobicContact CE2-CB 4.24Å; F260-D262 HydrophobicContact CZ-CB 3.68Å; D262-R264 WeakPolarHBondContact OD1-CB 3.46Å; D262-R264 VanDerWaalsContact OD1-CG 3.31Å; D262-R264 WeakPolarHBondContact OD1-CG 3.06Å; D262-R264 IonicContact OD1-CZ 3.59Å; D262-R264 PolarHBondContact OD1-N 3.03Å; D262-R264 VanDerWaalsContact OD1-N 3.09Å; D262-R264 IonicContact OD1-NE 2.75Å; D262-R264 PolarHBondContact OD1-NE 3.4Å; D262-R264 IonicContact OD1-NH2 2.84Å; D262-R264 IonicContact OD2-CZ 3.62Å; D262-R264 IonicContact OD2-NE 2.99Å; D262-R264 PolarHBondContact OD2-NE 3.1Å; D262-R264 IonicContact OD2-NH2 2.73Å; D262-R264 PolarHBondContact OD2-NH2 3.11Å
263R95Very high92.7Very high41 Ų4156.3 Ų56.316%0.15531%0.306CS..  trans-99.74.7-177-66.6-162.5175163.2-12.4113.8L261 N265 S266 A269 A272 L295 Y299 S300L261-R263 PolarHBondContact O-N 3.24Å; R263-N265 PolarHBondContact O-N 3.46Å; R263-S266 VanDerWaalsContact O-CB 3.29Å; R263-S266 WeakPolarHBondContact O-CB 3.31Å; R263-S266 PolarHBondContact O-N 2.76Å; R263-A269 HydrophobicContact CB-CB 3.8Å; R263-A272 VanDerWaalsContact C-CB 3.43Å; R263-A272 HydrophobicContact CB-CB 3.91Å; R263-A272 WeakPolarHBondContact O-CB 3.32Å; R263-L295 PolarHBondContact NH1-O 2.84Å; R263-L295 PolarHBondContact NH2-O 3.39Å; R263-Y299 WeakPolarHBondContact CD-O 3.34Å; R263-Y299 PolarHBondContact NH1-O 3.28Å; R263-S300 PolarHBondContact N-OG 2.87Å
264R95.1Very high92.8Very high82 Ų8254.8 Ų54.831%0.30929%0.289SS..THydrogen-bonded Turntrans-57.9-24.7-176.9-68.9177.2-67.7-177.4-1.2113.9D262 A272 N335 G336 F337D262-R264 WeakPolarHBondContact OD1-CB 3.46Å; D262-R264 VanDerWaalsContact OD1-CG 3.31Å; D262-R264 WeakPolarHBondContact OD1-CG 3.06Å; D262-R264 IonicContact OD1-CZ 3.59Å; D262-R264 PolarHBondContact OD1-N 3.03Å; D262-R264 VanDerWaalsContact OD1-N 3.09Å; D262-R264 IonicContact OD1-NE 2.75Å; D262-R264 PolarHBondContact OD1-NE 3.4Å; D262-R264 IonicContact OD1-NH2 2.84Å; D262-R264 IonicContact OD2-CZ 3.62Å; D262-R264 IonicContact OD2-NE 2.99Å; D262-R264 PolarHBondContact OD2-NE 3.1Å; D262-R264 IonicContact OD2-NH2 2.73Å; D262-R264 PolarHBondContact OD2-NH2 3.11Å; R264-A272 WeakPolarHBondContact CG-O 3.48Å; R264-N335 PolarHBondContact NH1-O 3.43Å; R264-N335 PolarHBondContact NH2-O 3.08Å; R264-G336 PolarHBondContact NH1-O 3.48Å; R264-F337 HydrophobicContact CG-CE1 4.46Å; R264-F337 HydrophobicContact CG-CZ 4.19Å
265N88.8Confident92.8Very high156 Ų15654.4 Ų54.483%0.83429%0.286SS*.THydrogen-bonded Turntrans-984175.9-62.9-38000113.9R263R263-N265 PolarHBondContact O-N 3.46Å
266S86Confident92.9Very high53 Ų5352 Ų5237%0.37127%0.273SS..  trans-86.6124.9177.2-178.20000110.3R263 E268 A269R263-S266 VanDerWaalsContact O-CB 3.29Å; R263-S266 WeakPolarHBondContact O-CB 3.31Å; R263-S266 PolarHBondContact O-N 2.76Å; S266-E268 PolarHBondContact O-N 2.67Å; S266-E268 PolarHBondContact OG-N 3.25Å; S266-A269 PolarHBondContact O-N 3.33Å
267L79.1Confident92.9Very high183 Ų18352 Ų5296%0.95827%0.273SS*.THydrogen-bonded Turntrans-67.2-22.9177.5-65.6170.7000112.8
268E77.7Confident92.9Very high185 Ų18552 Ų5286%0.86427%0.273SS*.THydrogen-bonded Turntrans-89.9-11.8-175.5-61.8-179.3172.200113.2S266 T270S266-E268 PolarHBondContact O-N 2.67Å; S266-E268 PolarHBondContact OG-N 3.25Å; E268-T270 PolarHBondContact O-N 3.33Å
269A80.9Confident93Very high15 Ų1552 Ų5212%0.12427%0.273CS..  trans-98.296.4-169.100000112R263 S266 N271 A272 G298R263-A269 HydrophobicContact CB-CB 3.8Å; S266-A269 PolarHBondContact O-N 3.33Å; A269-N271 VanDerWaalsContact C-N 3.31Å; A269-N271 PolarHBondContact O-N 3.35Å; A269-A272 HydrophobicContact CB-CB 3.8Å; A269-A272 VanDerWaalsContact O-CB 3.32Å; A269-A272 WeakPolarHBondContact O-CB 3.32Å; A269-A272 PolarHBondContact O-N 2.97Å; A269-G298 WeakPolarHBondContact CB-O 3.5Å
270T84.3Confident93Very high123 Ų12352 Ų5276%0.75527%0.274SS*.THydrogen-bonded Turntrans-63.1-33.8-17851.50000113.6E268E268-T270 PolarHBondContact O-N 3.33Å
271N94.2Very high93Very high54 Ų5451.5 Ų51.529%0.28927%0.272SS..THydrogen-bonded Turntrans-103.514.1-175.1-65.1-42.1000113.6A269 N273 T274 E297 G298 Y299A269-N271 VanDerWaalsContact C-N 3.31Å; A269-N271 PolarHBondContact O-N 3.35Å; N271-N273 PolarHBondContact O-N 3.22Å; N271-T274 PolarHBondContact O-N 2.82Å; N271-E297 PolarHBondContact ND2-O 3.32Å; N271-G298 CarbonylContact C-O 3.6Å; N271-Y299 HydrophobicContact CB-CD1 3.52Å; N271-Y299 HydrophobicContact CB-CD2 4.12Å; N271-Y299 HydrophobicContact CB-CE1 3.45Å; N271-Y299 VanDerWaalsContact CB-CE1 3.45Å; N271-Y299 HydrophobicContact CB-CE2 4.06Å; N271-Y299 HydrophobicContact CB-CG 3.85Å
272A94.5Very high92.9Very high7 Ų753.8 Ų53.86%0.05828%0.284CS..THydrogen-bonded Turntrans-55.7-28.5-17000000115.9R263 R264 A269 T274 G298 S300R263-A272 VanDerWaalsContact C-CB 3.43Å; R263-A272 HydrophobicContact CB-CB 3.91Å; R263-A272 WeakPolarHBondContact O-CB 3.32Å; R264-A272 WeakPolarHBondContact CG-O 3.48Å; A269-A272 HydrophobicContact CB-CB 3.8Å; A269-A272 VanDerWaalsContact O-CB 3.32Å; A269-A272 WeakPolarHBondContact O-CB 3.32Å; A269-A272 PolarHBondContact O-N 2.97Å; A272-T274 VanDerWaalsContact C-N 3.27Å; A272-T274 PolarHBondContact O-N 3.11Å; A272-G298 PolarHBondContact N-O 3.36Å; A272-S300 WeakPolarHBondContact O-CB 3.29Å; A272-S300 PolarHBondContact O-OG 3.22Å
273N96Very high92.7Very high111 Ų11153.1 Ų53.159%0.59429%0.286SS*.THydrogen-bonded Turntrans-74.6-17.2179.9-70.8-41.1000113.4N271N271-N273 PolarHBondContact O-N 3.22Å
274T98Very high92.7Very high10 Ų1051.6 Ų51.66%0.06128%0.283CS..SBendtrans-92.3126.7172.1-60.40000109.1N271 A272 Y299 S300 N341 V343 K365N271-T274 PolarHBondContact O-N 2.82Å; A272-T274 VanDerWaalsContact C-N 3.27Å; A272-T274 PolarHBondContact O-N 3.11Å; T274-Y299 HydrophobicContact CG2-CD1 3.87Å; T274-Y299 HydrophobicContact CG2-CE1 3.96Å; T274-S300 PolarHBondContact O-N 3.01Å; T274-S300 VanDerWaalsContact O-N 3.16Å; T274-N341 CarbonylContact C-O 3.06Å; T274-N341 VanDerWaalsContact CA-O 3.31Å; T274-N341 WeakPolarHBondContact CA-O 3.47Å; T274-V343 HydrophobicContact CG2-CG2 3.8Å; T274-K365 HydrophobicContact CG2-CD 4.18Å; T274-K365 PolarHBondContact OG1-NZ 3.09Å
275L98.7Very high92.8Very high0 Ų048 Ų480%027%0.27CS..EExtended strand (participates in β ladder)trans-93127.1172.5-178.766.8000109.5F260 V277 S300 L302 A332 F337 N341 I342 V343F260-L275 HydrophobicContact CD2-CD1 4.4Å; F260-L275 HydrophobicContact CE2-CD1 3.94Å; L275-V277 HydrophobicContact CD2-CG2 4.13Å; L275-V277 HydrophobicContact CG-CG2 4.34Å; L275-S300 CarbonylContact C-O 3.54Å; L275-S300 WeakPolarHBondContact CA-O 3.37Å; L275-L302 HydrophobicContact CD1-CB 3.92Å; L275-L302 HydrophobicContact CD2-CB 4.13Å; L275-L302 HydrophobicContact CD2-CD2 4.44Å; L275-L302 HydrophobicContact CG-CB 4.29Å; L275-A332 HydrophobicContact CD2-CB 3.48Å; L275-A332 VanDerWaalsContact CD2-CB 3.48Å; L275-F337 HydrophobicContact CB-CD1 3.53Å; L275-F337 HydrophobicContact CB-CD2 4.31Å; L275-F337 HydrophobicContact CB-CE1 3.64Å; L275-F337 HydrophobicContact CB-CE2 4.4Å; L275-F337 HydrophobicContact CB-CG 3.89Å; L275-F337 HydrophobicContact CB-CZ 4.08Å; L275-F337 HydrophobicContact CD1-CE2 4.24Å; L275-F337 HydrophobicContact CD1-CZ 4.26Å; L275-F337 HydrophobicContact CD2-CB 4.34Å; L275-F337 HydrophobicContact CD2-CD2 3.95Å; L275-F337 HydrophobicContact CD2-CE2 4.41Å; L275-F337 HydrophobicContact CD2-CG 4Å; L275-F337 HydrophobicContact CG-CG 4.49Å; L275-N341 PolarHBondContact N-O 2.66Å; L275-I342 HydrophobicContact CB-CG1 4.28Å; L275-I342 HydrophobicContact CD2-CG1 4.3Å; L275-I342 CarbonylContact O-C 3.59Å; L275-I342 WeakPolarHBondContact O-CA 3.22Å; L275-V343 PolarHBondContact O-N 2.92Å
276V98.7Very high93.3Very high0 Ų040.6 Ų40.60%023%0.23CC..EExtended strand (participates in β ladder)trans-100.2112.8169-172.90000108.8T278 P294 Y299 S300 V301 L302 V343 L345 F538V276-T278 HydrophobicContact CG1-CG2 4.24Å; V276-P294 HydrophobicContact CB-CB 3.76Å; V276-P294 HydrophobicContact CB-CG 4Å; V276-P294 HydrophobicContact CG1-CB 3.91Å; V276-P294 HydrophobicContact CG1-CG 3.82Å; V276-P294 HydrophobicContact CG2-CB 3.69Å; V276-P294 HydrophobicContact CG2-CG 4.47Å; V276-Y299 HydrophobicContact CG2-CD1 3.9Å; V276-Y299 HydrophobicContact CG2-CD2 4.49Å; V276-Y299 HydrophobicContact CG2-CG 3.82Å; V276-S300 PolarHBondContact N-O 3.26Å; V276-V301 HydrophobicContact CB-CG2 4.4Å; V276-V301 WeakPolarHBondContact O-CA 3.46Å; V276-L302 PolarHBondContact O-N 3.06Å; V276-V343 CarbonylContact C-O 3.59Å; V276-V343 VanDerWaalsContact CA-O 3.3Å; V276-V343 WeakPolarHBondContact CA-O 3.49Å; V276-V343 HydrophobicContact CG2-CB 4.44Å; V276-L345 HydrophobicContact CG1-CB 3.62Å; V276-L345 HydrophobicContact CG1-CD2 4.48Å; V276-F538 HydrophobicContact CG1-CZ 4.09Å; V276-F538 HydrophobicContact CG2-CE1 4.27Å; V276-F538 HydrophobicContact CG2-CZ 3.91Å
277V98.9Very high93.8Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-85.7122.1170.5177.50000107.7L275 L302 I325 V328 M329 I342 V343 I344 L345L275-V277 HydrophobicContact CD2-CG2 4.13Å; L275-V277 HydrophobicContact CG-CG2 4.34Å; V277-L302 WeakPolarHBondContact CA-O 3.46Å; V277-L302 HydrophobicContact CG2-CB 4.28Å; V277-L302 HydrophobicContact CG2-CD2 4.4Å; V277-I325 HydrophobicContact CG1-CD1 3.91Å; V277-V328 HydrophobicContact CG1-CG1 3.72Å; V277-M329 HydrophobicContact CG2-SD 4.16Å; V277-I342 HydrophobicContact CG2-CG2 3.81Å; V277-V343 PolarHBondContact N-O 2.85Å; V277-I344 HydrophobicContact CB-CG1 4.38Å; V277-I344 CarbonylContact O-C 3.58Å; V277-I344 WeakPolarHBondContact O-CA 3.42Å; V277-L345 PolarHBondContact O-N 2.83Å
278T98.8Very high94.6Very high0 Ų033.1 Ų33.10%019%0.186CC..EExtended strand (participates in β ladder)trans-104.7130.4-173.859.90000111.2V276 V290 A291 P294 V301 L302 A303 W304 L345V276-T278 HydrophobicContact CG1-CG2 4.24Å; T278-V290 HydrophobicContact CG2-CG2 4.23Å; T278-A291 HydrophobicContact CG2-CB 4.15Å; T278-P294 HydrophobicContact CG2-CG 4.17Å; T278-V301 HydrophobicContact CG2-CG1 4.05Å; T278-L302 PolarHBondContact N-O 2.99Å; T278-L302 VanDerWaalsContact N-O 3.08Å; T278-A303 VanDerWaalsContact OG1-CA 3.29Å; T278-A303 WeakPolarHBondContact OG1-CA 3.43Å; T278-A303 VanDerWaalsContact OG1-CB 3.22Å; T278-A303 WeakPolarHBondContact OG1-CB 3.41Å; T278-W304 PolarHBondContact O-NE1 3.43Å; T278-L345 CarbonylContact C-O 3.58Å; T278-L345 VanDerWaalsContact CA-O 3.3Å; T278-L345 WeakPolarHBondContact CA-O 3.22Å; T278-L345 HydrophobicContact CG2-CD2 4.45Å
279C98.8Very high95.5Very high0 Ų025.3 Ų25.30%016%0.155CC..EExtended strand (participates in β ladder)trans-116.1117.5175.1-550000109.2W304 L345 A346 W347 G350 P353C279-W304 HydrophobicContact CB-CZ2 4.37Å; C279-L345 PolarHBondContact N-O 2.71Å; C279-A346 HydrophobicContact CB-CB 4.07Å; C279-A346 WeakPolarHBondContact O-CA 3.16Å; C279-W347 PolarHBondContact O-N 2.9Å; C279-G350 VanDerWaalsContact CB-O 3.27Å; C279-G350 WeakPolarHBondContact CB-O 3.34Å; C279-P353 HydrophobicContact CB-CG 4.43Å
280E98.3Very high96.3Very high1 Ų125.4 Ų25.41%0.00515%0.154CC..  trans-80.6170.7-172.5-67.7-67.5165.200113.1G289 V290 H306 W347 G350E280-G289 WeakPolarHBondContact OE1-CA 3.13Å; E280-V290 PolarHBondContact OE1-N 2.81Å; E280-V290 PolarHBondContact OE2-N 2.88Å; E280-H306 PolarHBondContact O-NE2 2.96Å; E280-W347 CarbonylContact C-O 3.48Å; E280-G350 WeakPolarHBondContact O-CA 3.31Å; E280-G350 PolarHBondContact O-N 2.98Å
281G97.8Very high96.9Very high0 Ų019.5 Ų19.50%012%0.118CC..  trans-78.9178.6171.500000113.1A283 G284 W347G281-A283 PolarHBondContact O-N 2.9Å; G281-A283 VanDerWaalsContact O-N 3.12Å; G281-G284 PolarHBondContact O-N 3.08Å; G281-W347 VanDerWaalsContact N-CE3 3.29Å
282N94.6Very high97Very high50 Ų5019.3 Ų19.327%0.26711%0.114SC..THydrogen-bonded Turntrans-69.2-12.3-172.172.1-14.2000116.6L214 Y215 P216 G217 F309 I349L214-N282 WeakPolarHBondContact O-CB 3.39Å; L214-N282 PolarHBondContact O-ND2 3.36Å; Y215-N282 HydrophobicContact CD1-CB 4.43Å; P216-N282 VanDerWaalsContact CD-O 3.27Å; P216-N282 WeakPolarHBondContact CD-O 3.5Å; G217-N282 PolarHBondContact N-O 3.04Å; G217-N282 VanDerWaalsContact N-O 3.13Å; N282-F309 WeakPolarHBondContact O-CE1 3.41Å; N282-F309 WeakPolarHBondContact O-CZ 3.4Å; N282-I349 HydrophobicContact CB-CD1 4.41Å; N282-I349 HydrophobicContact CB-CG2 3.83Å
283A92.9Very high97.1Very high45 Ų4519.7 Ų19.737%0.37212%0.115SC..THydrogen-bonded Turntrans-126.312.7169.200000111.3P216 G281 F285P216-A283 HydrophobicContact CG-CB 4.22Å; G281-A283 PolarHBondContact O-N 2.9Å; G281-A283 VanDerWaalsContact O-N 3.12Å; A283-F285 WeakPolarHBondContact O-CD2 3.15Å; A283-F285 WeakPolarHBondContact O-CE2 3.05Å
284G94.8Very high97.1Very high8 Ų814.4 Ų14.48%0.0829%0.087CC..  trans-83.6152.5179.400000111.5G281 F309G281-G284 PolarHBondContact O-N 3.08Å; G284-F309 WeakPolarHBondContact O-CD1 3.44Å
285F97.8Very high97Very high7 Ų714.4 Ų14.43%0.0319%0.086CC..  trans-140.1137.8177-63.9-90.1000107.7Y223 V226 L230 A283 E287 I288 G289 N305 F309Y223-F285 HydrophobicContact CD2-CE1 4.45Å; V226-F285 HydrophobicContact CG2-CD2 4.37Å; V226-F285 HydrophobicContact CG2-CE2 3.86Å; V226-F285 HydrophobicContact CG2-CZ 4.28Å; L230-F285 HydrophobicContact CD1-CB 4.44Å; L230-F285 HydrophobicContact CD1-CD1 3.78Å; L230-F285 HydrophobicContact CD1-CD2 4.27Å; L230-F285 HydrophobicContact CD1-CE1 4.04Å; L230-F285 HydrophobicContact CD1-CG 3.9Å; L230-F285 HydrophobicContact CD1-CZ 4.4Å; L230-F285 HydrophobicContact CD2-CB 3.42Å; L230-F285 VanDerWaalsContact CD2-CB 3.42Å; L230-F285 HydrophobicContact CD2-CD1 4.3Å; L230-F285 HydrophobicContact CD2-CD2 3.91Å; L230-F285 HydrophobicContact CD2-CG 3.63Å; L230-F285 HydrophobicContact CG-CG 4.43Å; A283-F285 WeakPolarHBondContact O-CD2 3.15Å; A283-F285 WeakPolarHBondContact O-CE2 3.05Å; F285-E287 WeakPolarHBondContact CB-OE2 3.34Å; F285-E287 PolarHBondContact O-N 3.31Å; F285-I288 HydrophobicContact CB-CG1 4.4Å; F285-I288 PolarHBondContact O-N 3Å; F285-I288 VanDerWaalsContact O-N 3.15Å; F285-G289 WeakPolarHBondContact O-CA 3.33Å; F285-G289 PolarHBondContact O-N 3.41Å; F285-N305 WeakPolarHBondContact CA-OD1 3.3Å; F285-F309 HydrophobicContact CD1-CB 4.28Å; F285-F309 HydrophobicContact CD1-CD1 4.17Å; F285-F309 HydrophobicContact CE1-CB 3.95Å; F285-F309 AromaticContact CE1-CD1 3.8Å; F285-F309 HydrophobicContact CE1-CD1 3.8Å; F285-F309 HydrophobicContact CE1-CG 4.19Å; F285-F309 HydrophobicContact CZ-CD1 4.1Å
286Y97.8Very high96.7Very high0 Ų015.8 Ų15.80%010%0.101CC..THydrogen-bonded Turntrans-58.5-30.1-174.279.7-106.7000112.2M237 M259 I288 A303 N305M237-Y286 HydrophobicContact CE-CD2 4.2Å; M237-Y286 WeakPolarHBondContact CE-O 3.37Å; M237-Y286 HydrophobicContact SD-CD2 3.71Å; M237-Y286 HydrophobicContact SD-CE2 3.78Å; M259-Y286 HydrophobicContact CB-CD2 3.76Å; M259-Y286 HydrophobicContact CB-CE2 3.36Å; M259-Y286 HydrophobicContact CE-CE2 4.14Å; M259-Y286 HydrophobicContact CG-CE2 4.13Å; Y286-I288 PolarHBondContact O-N 2.69Å; Y286-I288 VanDerWaalsContact O-N 3.17Å; Y286-A303 HydrophobicContact CD2-CB 4.18Å; Y286-A303 HydrophobicContact CG-CB 4.05Å; Y286-N305 HydrophobicContact CD1-CB 4.28Å; Y286-N305 VanDerWaalsContact CD1-CG 3.44Å; Y286-N305 VanDerWaalsContact CD1-ND2 3.31Å; Y286-N305 WeakPolarHBondContact CD1-ND2 3.35Å; Y286-N305 VanDerWaalsContact CE1-ND2 3.32Å; Y286-N305 WeakPolarHBondContact CE1-ND2 3.35Å; Y286-N305 PolarHBondContact N-OD1 2.87Å; Y286-N305 VanDerWaalsContact N-OD1 3.08Å
287E97.8Very high96.4Very high0 Ų019.2 Ų19.20%012%0.117CC..THydrogen-bonded Turntrans-61.2-25.9-175.6-67.786.415900113.4L230 G233 R234 F285 Y292 N305L230-E287 HydrophobicContact CB-CB 4.31Å; L230-E287 HydrophobicContact CB-CG 4.37Å; L230-E287 HydrophobicContact CD2-CB 4.05Å; L230-E287 WeakPolarHBondContact O-CG 3.32Å; G233-E287 CarbonylContact C-O 3.57Å; G233-E287 VanDerWaalsContact CA-O 3.23Å; G233-E287 WeakPolarHBondContact CA-O 3.5Å; R234-E287 HydrophobicContact CB-CG 3.83Å; R234-E287 HydrophobicContact CG-CG 4.42Å; R234-E287 IonicContact CZ-OE1 3.39Å; R234-E287 IonicContact NE-OE1 3.22Å; R234-E287 PolarHBondContact NE-OE1 3.05Å; R234-E287 IonicContact NH2-OE1 2.78Å; R234-E287 PolarHBondContact NH2-OE1 3.32Å; F285-E287 WeakPolarHBondContact CB-OE2 3.34Å; F285-E287 PolarHBondContact O-N 3.31Å; E287-Y292 WeakPolarHBondContact O-CE2 3.42Å; E287-Y292 PolarHBondContact O-OH 2.76Å; E287-N305 PolarHBondContact OE1-ND2 3.16Å; E287-N305 PolarHBondContact OE2-ND2 2.82Å; E287-N305 PolarHBondContact OE2-OD1 3.16Å
288I96.3Very high96.2Very high80 Ų8019.7 Ų19.741%0.4112%0.122SC..THydrogen-bonded Turntrans-137.39.3-174.560.7172.6000113N229 L230 F285 Y286N229-I288 HydrophobicContact CB-CG2 4.43Å; N229-I288 WeakPolarHBondContact O-CG2 3.46Å; L230-I288 HydrophobicContact CD2-CD1 3.69Å; L230-I288 HydrophobicContact CD2-CG1 3.76Å; L230-I288 HydrophobicContact CD2-CG2 4.39Å; F285-I288 HydrophobicContact CB-CG1 4.4Å; F285-I288 PolarHBondContact O-N 3Å; F285-I288 VanDerWaalsContact O-N 3.15Å; Y286-I288 PolarHBondContact O-N 2.69Å; Y286-I288 VanDerWaalsContact O-N 3.17Å
289G95.9Very high96.1Very high21 Ų2120.5 Ų20.522%0.21613%0.125CC..SBendtrans-105.1-147.8-169.400000114.9E280 F285 A291 Y292E280-G289 WeakPolarHBondContact OE1-CA 3.13Å; F285-G289 WeakPolarHBondContact O-CA 3.33Å; F285-G289 PolarHBondContact O-N 3.41Å; G289-A291 PolarHBondContact O-N 3.12Å; G289-A291 VanDerWaalsContact O-N 3.14Å; G289-Y292 WeakPolarHBondContact O-CD2 3.1Å; G289-Y292 PolarHBondContact O-N 3.3Å
290V96.9Very high96.1Very high16 Ų1620.5 Ų20.510%0.09713%0.125CC..THydrogen-bonded Turntrans-66.8-18.1-169.3-550000113.5T278 E280 Y292 V293 P294 L345 W347T278-V290 HydrophobicContact CG2-CG2 4.23Å; E280-V290 PolarHBondContact OE1-N 2.81Å; E280-V290 PolarHBondContact OE2-N 2.88Å; V290-Y292 PolarHBondContact O-N 2.84Å; V290-Y292 VanDerWaalsContact O-N 3.08Å; V290-V293 WeakPolarHBondContact O-CB 3.49Å; V290-V293 PolarHBondContact O-N 2.95Å; V290-P294 VanDerWaalsContact O-CD 3.22Å; V290-P294 WeakPolarHBondContact O-CD 3.41Å; V290-L345 HydrophobicContact CB-CD2 4.27Å; V290-L345 HydrophobicContact CG2-CD2 4.24Å; V290-L345 HydrophobicContact CG2-CG 4.29Å; V290-W347 HydrophobicContact CG1-CB 3.72Å; V290-W347 HydrophobicContact CG1-CD2 4.35Å; V290-W347 HydrophobicContact CG1-CE3 4.19Å; V290-W347 HydrophobicContact CG1-CG 4.18Å
291A97.3Very high96.1Very high0 Ų020.5 Ų20.50%013%0.125CC..THydrogen-bonded Turntrans-54.3-28.8177.800000114.2M237 T278 G289 V293 P294 L295 V301 A303M237-A291 HydrophobicContact CE-CB 4.06Å; T278-A291 HydrophobicContact CG2-CB 4.15Å; G289-A291 PolarHBondContact O-N 3.12Å; G289-A291 VanDerWaalsContact O-N 3.14Å; A291-V293 VanDerWaalsContact C-N 3.26Å; A291-V293 PolarHBondContact O-N 3.13Å; A291-P294 WeakPolarHBondContact O-CD 3.26Å; A291-P294 WeakPolarHBondContact O-CG 3.38Å; A291-L295 WeakPolarHBondContact O-CB 3.32Å; A291-L295 WeakPolarHBondContact O-CD1 3.39Å; A291-L295 WeakPolarHBondContact O-CG 3.34Å; A291-L295 PolarHBondContact O-N 2.92Å; A291-V301 HydrophobicContact CB-CG1 4.11Å; A291-A303 HydrophobicContact CB-CB 3.82Å
292Y96.6Very high96.1Very high50 Ų5020.5 Ų20.520%0.19613%0.125CC..Hα-helixtrans-69.9-20.5178.7-72.3-84.1000114.3G233 K236 M237 L241 E287 G289 V290 G296G233-Y292 PolarHBondContact O-OH 2.83Å; K236-Y292 HydrophobicContact CD-CE1 4.14Å; M237-Y292 HydrophobicContact CE-CD2 4.19Å; M237-Y292 HydrophobicContact CE-CE1 4.28Å; M237-Y292 HydrophobicContact CE-CE2 3.54Å; L241-Y292 HydrophobicContact CD1-CD1 4.4Å; L241-Y292 HydrophobicContact CD1-CE1 3.97Å; E287-Y292 WeakPolarHBondContact O-CE2 3.42Å; E287-Y292 PolarHBondContact O-OH 2.76Å; G289-Y292 WeakPolarHBondContact O-CD2 3.1Å; G289-Y292 PolarHBondContact O-N 3.3Å; V290-Y292 PolarHBondContact O-N 2.84Å; V290-Y292 VanDerWaalsContact O-N 3.08Å; Y292-G296 PolarHBondContact O-N 3.07Å
293V96.8Very high96.3Very high14 Ų1418.1 Ų18.19%0.08511%0.112CC..Hα-helixtrans-67.1-61.5179.2178.80000110.8V290 A291 L295 G296 E297 L533 F538V290-V293 WeakPolarHBondContact O-CB 3.49Å; V290-V293 PolarHBondContact O-N 2.95Å; A291-V293 VanDerWaalsContact C-N 3.26Å; A291-V293 PolarHBondContact O-N 3.13Å; V293-L295 VanDerWaalsContact C-N 3.26Å; V293-L295 PolarHBondContact O-N 2.79Å; V293-G296 WeakPolarHBondContact O-CA 3.46Å; V293-G296 PolarHBondContact O-N 3.34Å; V293-E297 PolarHBondContact O-N 2.86Å; V293-L533 HydrophobicContact CG1-CD2 4.43Å; V293-L533 HydrophobicContact CG2-CB 4.28Å; V293-L533 WeakPolarHBondContact CG2-O 3.43Å; V293-F538 HydrophobicContact CG1-CB 3.58Å; V293-F538 HydrophobicContact CG1-CG 4.06Å
294P96.7Very high96.6Very high0 Ų016 Ų160%010%0.095CC..Hα-helixtrans-64.7-28.7176.126.1-34.9000112.9V276 T278 V290 A291 G296 E297 G298 Y299 V301 L345 F538V276-P294 HydrophobicContact CB-CB 3.76Å; V276-P294 HydrophobicContact CB-CG 4Å; V276-P294 HydrophobicContact CG1-CB 3.91Å; V276-P294 HydrophobicContact CG1-CG 3.82Å; V276-P294 HydrophobicContact CG2-CB 3.69Å; V276-P294 HydrophobicContact CG2-CG 4.47Å; T278-P294 HydrophobicContact CG2-CG 4.17Å; V290-P294 VanDerWaalsContact O-CD 3.22Å; V290-P294 WeakPolarHBondContact O-CD 3.41Å; A291-P294 WeakPolarHBondContact O-CD 3.26Å; A291-P294 WeakPolarHBondContact O-CG 3.38Å; P294-G296 VanDerWaalsContact C-N 3.28Å; P294-G296 PolarHBondContact O-N 3.2Å; P294-E297 CarbonylContact O-C 3.59Å; P294-E297 PolarHBondContact O-N 2.67Å; P294-G298 PolarHBondContact O-N 2.71Å; P294-Y299 HydrophobicContact CB-CD2 4.12Å; P294-Y299 HydrophobicContact CB-CG 4.35Å; P294-Y299 WeakPolarHBondContact O-CB 3.27Å; P294-Y299 WeakPolarHBondContact O-CD2 3.36Å; P294-Y299 PolarHBondContact O-N 2.99Å; P294-Y299 VanDerWaalsContact O-N 3.11Å; P294-V301 HydrophobicContact CB-CG2 3.91Å; P294-V301 HydrophobicContact CG-CG2 3.74Å; P294-L345 HydrophobicContact CG-CD2 4.17Å; P294-F538 HydrophobicContact CB-CD1 4.47Å; P294-F538 HydrophobicContact CB-CE1 3.91Å; P294-F538 HydrophobicContact CB-CZ 4.26Å
295L94.5Very high96.8Very high10 Ų1015.7 Ų15.75%0.0529%0.091CC..Hα-helixtrans-64.7-32.9171.2-72.1171.9000112.5M237 L241 L261 R263 A291 V293 E297 V301M237-L295 HydrophobicContact CE-CD1 4.47Å; L241-L295 HydrophobicContact CD1-CD1 3.99Å; L261-L295 HydrophobicContact CB-CD2 3.95Å; L261-L295 HydrophobicContact CD1-CD1 4.2Å; L261-L295 HydrophobicContact CD1-CD2 4.23Å; L261-L295 HydrophobicContact CD2-CD1 3.99Å; L261-L295 HydrophobicContact CD2-CD2 3.75Å; L261-L295 HydrophobicContact CG-CD2 4.18Å; R263-L295 PolarHBondContact NH1-O 2.84Å; R263-L295 PolarHBondContact NH2-O 3.39Å; A291-L295 WeakPolarHBondContact O-CB 3.32Å; A291-L295 WeakPolarHBondContact O-CD1 3.39Å; A291-L295 WeakPolarHBondContact O-CG 3.34Å; A291-L295 PolarHBondContact O-N 2.92Å; V293-L295 VanDerWaalsContact C-N 3.26Å; V293-L295 PolarHBondContact O-N 2.79Å; L295-E297 VanDerWaalsContact C-N 3.25Å; L295-E297 PolarHBondContact O-N 2.71Å; L295-V301 HydrophobicContact CD2-CB 3.84Å; L295-V301 HydrophobicContact CD2-CG2 3.63Å; L295-V301 HydrophobicContact CG-CB 4.09Å; L295-V301 HydrophobicContact CG-CG2 3.7Å
296G92.4Very high96.8Very high29 Ų2915.4 Ų15.430%0.2999%0.09SC..Hα-helixtrans-65.4-31.2173.800000112.9Y292 V293 P294Y292-G296 PolarHBondContact O-N 3.07Å; V293-G296 WeakPolarHBondContact O-CA 3.46Å; V293-G296 PolarHBondContact O-N 3.34Å; P294-G296 VanDerWaalsContact C-N 3.28Å; P294-G296 PolarHBondContact O-N 3.2Å
297E93.3Very high96.8Very high72 Ų7215.4 Ų15.434%0.3369%0.09SC..THydrogen-bonded Turntrans-96.116.1-176.7-63-54.5120.300113.8N271 V293 P294 L295 Y299 R535N271-E297 PolarHBondContact ND2-O 3.32Å; V293-E297 PolarHBondContact O-N 2.86Å; P294-E297 CarbonylContact O-C 3.59Å; P294-E297 PolarHBondContact O-N 2.67Å; L295-E297 VanDerWaalsContact C-N 3.25Å; L295-E297 PolarHBondContact O-N 2.71Å; E297-Y299 VanDerWaalsContact C-N 3.35Å; E297-Y299 HydrophobicContact CB-CD2 3.66Å; E297-Y299 HydrophobicContact CB-CE2 3.54Å; E297-Y299 PolarHBondContact O-N 3.46Å; E297-R535 HydrophobicContact CG-CB 4.25Å; E297-R535 VanDerWaalsContact OE1-CB 3.28Å; E297-R535 WeakPolarHBondContact OE1-CB 3.31Å
298G93.7Very high96.8Very high11 Ų1116.2 Ų16.211%0.11310%0.098CC..THydrogen-bonded Turntrans77.511.5172.400000115.7A269 N271 A272 P294A269-G298 WeakPolarHBondContact CB-O 3.5Å; N271-G298 CarbonylContact C-O 3.6Å; A272-G298 PolarHBondContact N-O 3.36Å; P294-G298 PolarHBondContact O-N 2.71Å
299Y97Very high96.8Very high17 Ų1712.4 Ų12.47%0.0678%0.079CC..  trans-76.1157177.1-66.8-87.4000112.5R263 N271 T274 V276 P294 E297 F538 L540R263-Y299 WeakPolarHBondContact CD-O 3.34Å; R263-Y299 PolarHBondContact NH1-O 3.28Å; N271-Y299 HydrophobicContact CB-CD1 3.52Å; N271-Y299 HydrophobicContact CB-CD2 4.12Å; N271-Y299 HydrophobicContact CB-CE1 3.45Å; N271-Y299 VanDerWaalsContact CB-CE1 3.45Å; N271-Y299 HydrophobicContact CB-CE2 4.06Å; N271-Y299 HydrophobicContact CB-CG 3.85Å; T274-Y299 HydrophobicContact CG2-CD1 3.87Å; T274-Y299 HydrophobicContact CG2-CE1 3.96Å; V276-Y299 HydrophobicContact CG2-CD1 3.9Å; V276-Y299 HydrophobicContact CG2-CD2 4.49Å; V276-Y299 HydrophobicContact CG2-CG 3.82Å; P294-Y299 HydrophobicContact CB-CD2 4.12Å; P294-Y299 HydrophobicContact CB-CG 4.35Å; P294-Y299 WeakPolarHBondContact O-CB 3.27Å; P294-Y299 WeakPolarHBondContact O-CD2 3.36Å; P294-Y299 PolarHBondContact O-N 2.99Å; P294-Y299 VanDerWaalsContact O-N 3.11Å; E297-Y299 VanDerWaalsContact C-N 3.35Å; E297-Y299 HydrophobicContact CB-CD2 3.66Å; E297-Y299 HydrophobicContact CB-CE2 3.54Å; E297-Y299 PolarHBondContact O-N 3.46Å; Y299-F538 AromaticContact CD2-CE1 3.92Å; Y299-F538 HydrophobicContact CD2-CE1 3.92Å; Y299-F538 HydrophobicContact CE2-CD1 4.12Å; Y299-F538 AromaticContact CE2-CE1 3.64Å; Y299-F538 HydrophobicContact CE2-CE1 3.64Å; Y299-L540 HydrophobicContact CE1-CD1 4.14Å; Y299-L540 HydrophobicContact CE1-CD2 3.7Å; Y299-L540 HydrophobicContact CE1-CG 4.25Å; Y299-L540 WeakPolarHBondContact OH-CD2 3.38Å; Y299-L540 WeakPolarHBondContact OH-CG 3.29Å
300S98.3Very high96.7Very high0 Ų012.3 Ų12.30%08%0.077CC..EExtended strand (participates in β ladder)trans-72.3146.5157.7-68.20000109L261 R263 A272 T274 L275 V276L261-S300 CarbonylContact O-C 3.6Å; L261-S300 VanDerWaalsContact O-CA 3.24Å; L261-S300 WeakPolarHBondContact O-CA 3.31Å; L261-S300 WeakPolarHBondContact O-CB 3.23Å; R263-S300 PolarHBondContact N-OG 2.87Å; A272-S300 WeakPolarHBondContact O-CB 3.29Å; A272-S300 PolarHBondContact O-OG 3.22Å; T274-S300 PolarHBondContact O-N 3.01Å; T274-S300 VanDerWaalsContact O-N 3.16Å; L275-S300 CarbonylContact C-O 3.54Å; L275-S300 WeakPolarHBondContact CA-O 3.37Å; V276-S300 PolarHBondContact N-O 3.26Å
301V98.4Very high96.7Very high0 Ų014 Ų140%08%0.084CC..EExtended strand (participates in β ladder)trans-134.6136.8-176.7174.50000111.7L261 V276 T278 A291 P294 L295 A303L261-V301 HydrophobicContact CD1-CB 4.26Å; L261-V301 HydrophobicContact CD1-CG1 4.44Å; L261-V301 PolarHBondContact N-O 3.27Å; L261-V301 PolarHBondContact O-N 3.46Å; V276-V301 HydrophobicContact CB-CG2 4.4Å; V276-V301 WeakPolarHBondContact O-CA 3.46Å; T278-V301 HydrophobicContact CG2-CG1 4.05Å; A291-V301 HydrophobicContact CB-CG1 4.11Å; P294-V301 HydrophobicContact CB-CG2 3.91Å; P294-V301 HydrophobicContact CG-CG2 3.74Å; L295-V301 HydrophobicContact CD2-CB 3.84Å; L295-V301 HydrophobicContact CD2-CG2 3.63Å; L295-V301 HydrophobicContact CG-CB 4.09Å; L295-V301 HydrophobicContact CG-CG2 3.7Å; V301-A303 HydrophobicContact CG1-CB 4.19Å
302L98.8Very high96.7Very high0 Ų014.4 Ų14.40%09%0.087CC..EExtended strand (participates in β ladder)trans-120106.3168.3177.260.3000108.4C258 F260 L275 V276 V277 T278 V328 F331 A332C258-L302 HydrophobicContact CB-CD1 4.5Å; F260-L302 HydrophobicContact CB-CD1 3.94Å; F260-L302 HydrophobicContact CD2-CB 4.19Å; F260-L302 HydrophobicContact CD2-CD1 4.11Å; F260-L302 HydrophobicContact CG-CD1 4.36Å; L275-L302 HydrophobicContact CD1-CB 3.92Å; L275-L302 HydrophobicContact CD2-CB 4.13Å; L275-L302 HydrophobicContact CD2-CD2 4.44Å; L275-L302 HydrophobicContact CG-CB 4.29Å; V276-L302 PolarHBondContact O-N 3.06Å; V277-L302 WeakPolarHBondContact CA-O 3.46Å; V277-L302 HydrophobicContact CG2-CB 4.28Å; V277-L302 HydrophobicContact CG2-CD2 4.4Å; T278-L302 PolarHBondContact N-O 2.99Å; T278-L302 VanDerWaalsContact N-O 3.08Å; L302-V328 HydrophobicContact CD2-CG1 3.6Å; L302-V328 WeakPolarHBondContact CD2-O 3.46Å; L302-V328 HydrophobicContact CG-CG1 3.97Å; L302-F331 HydrophobicContact CD1-CD1 3.93Å; L302-F331 HydrophobicContact CD1-CE1 3.97Å; L302-F331 HydrophobicContact CD2-CD1 3.94Å; L302-A332 HydrophobicContact CD2-CB 3.88Å
303A98.7Very high96.7Very high0 Ų014.1 Ų14.10%09%0.092CC..EExtended strand (participates in β ladder)trans-111.4147.9-176.900000110.4C258 M259 T278 Y286 A291 V301C258-A303 CarbonylContact C-O 3.56Å; C258-A303 VanDerWaalsContact CA-O 3.24Å; C258-A303 WeakPolarHBondContact CA-O 3.48Å; M259-A303 PolarHBondContact N-O 3.37Å; M259-A303 PolarHBondContact O-N 3.37Å; T278-A303 VanDerWaalsContact OG1-CA 3.29Å; T278-A303 WeakPolarHBondContact OG1-CA 3.43Å; T278-A303 VanDerWaalsContact OG1-CB 3.22Å; T278-A303 WeakPolarHBondContact OG1-CB 3.41Å; Y286-A303 HydrophobicContact CD2-CB 4.18Å; Y286-A303 HydrophobicContact CG-CB 4.05Å; A291-A303 HydrophobicContact CB-CB 3.82Å; V301-A303 HydrophobicContact CG1-CB 4.19Å
304W98.7Very high96.7Very high2 Ų215.5 Ų15.51%0.00811%0.11CC..EExtended strand (participates in β ladder)trans-150.4154.1-17461.9-73.6000110.6L256 C258 T278 C279 A324 I325 V328 P353L256-W304 HydrophobicContact CD1-CE3 4.41Å; C258-W304 HydrophobicContact CB-CB 4.27Å; C258-W304 VanDerWaalsContact SG-CB 3.52Å; T278-W304 PolarHBondContact O-NE1 3.43Å; C279-W304 HydrophobicContact CB-CZ2 4.37Å; W304-A324 HydrophobicContact CE3-CB 4.2Å; W304-A324 HydrophobicContact CH2-CB 4.13Å; W304-A324 HydrophobicContact CZ3-CB 3.53Å; W304-I325 HydrophobicContact CZ2-CB 4.24Å; W304-I325 HydrophobicContact CZ2-CD1 3.95Å; W304-V328 HydrophobicContact CB-CG2 4.07Å; W304-V328 HydrophobicContact CD2-CG2 4.02Å; W304-V328 HydrophobicContact CG-CG1 4.46Å; W304-V328 HydrophobicContact CG-CG2 3.79Å; W304-P353 HydrophobicContact CH2-CB 4.23Å; W304-P353 HydrophobicContact CH2-CG 4.2Å; W304-P353 HydrophobicContact CZ2-CB 4.26Å; W304-P353 HydrophobicContact CZ2-CG 4.19Å
305N98.4Very high96.7Very high1 Ų117.7 Ų17.71%0.00512%0.12CC..PPolyproline II helixtrans-97.9137.6172.8-80.5-33.3000110.2D257 F285 Y286 E287 F309 S312D257-N305 PolarHBondContact O-N 3Å; D257-N305 VanDerWaalsContact O-N 3.1Å; F285-N305 WeakPolarHBondContact CA-OD1 3.3Å; Y286-N305 HydrophobicContact CD1-CB 4.28Å; Y286-N305 VanDerWaalsContact CD1-CG 3.44Å; Y286-N305 VanDerWaalsContact CD1-ND2 3.31Å; Y286-N305 WeakPolarHBondContact CD1-ND2 3.35Å; Y286-N305 VanDerWaalsContact CE1-ND2 3.32Å; Y286-N305 WeakPolarHBondContact CE1-ND2 3.35Å; Y286-N305 PolarHBondContact N-OD1 2.87Å; Y286-N305 VanDerWaalsContact N-OD1 3.08Å; E287-N305 PolarHBondContact OE1-ND2 3.16Å; E287-N305 PolarHBondContact OE2-ND2 2.82Å; E287-N305 PolarHBondContact OE2-OD1 3.16Å; N305-F309 HydrophobicContact CB-CB 3.99Å; N305-S312 PolarHBondContact O-OG 3.34Å
306H98.5Very high96.8Very high1 Ų117.2 Ų17.21%0.00512%0.118CC..PPolyproline II helixtrans-47.3152171.5-64.2-73.9000112.1E280 G308 F309 S312 E321E280-H306 PolarHBondContact O-NE2 2.96Å; H306-G308 PolarHBondContact O-N 3.33Å; H306-F309 HydrophobicContact CB-CB 4.2Å; H306-F309 HydrophobicContact CB-CD1 4.3Å; H306-F309 HydrophobicContact CB-CD2 3.66Å; H306-F309 HydrophobicContact CB-CE2 4.05Å; H306-F309 HydrophobicContact CB-CG 3.81Å; H306-F309 AromaticContact CD2-CE1 3.99Å; H306-F309 WeakPolarHBondContact O-CB 3.44Å; H306-F309 PolarHBondContact O-N 3.31Å; H306-S312 WeakPolarHBondContact O-CB 3.41Å; H306-E321 WeakPolarHBondContact CB-OE1 3.15Å; H306-E321 IonicContact CE1-OE2 3.52Å; H306-E321 PolarHBondContact CE1-OE2 3.3Å; H306-E321 VanDerWaalsContact CE1-OE2 3.31Å; H306-E321 IonicContact CG-OE1 3.57Å; H306-E321 IonicContact CG-OE2 3.67Å; H306-E321 IonicContact ND1-OE1 2.76Å; H306-E321 PolarHBondContact ND1-OE1 3.47Å; H306-E321 IonicContact ND1-OE2 3.4Å; H306-E321 PolarHBondContact ND1-OE2 2.94Å
307P98.3Very high97.1Very high0 Ų018.1 Ų18.10%011%0.112CC..THydrogen-bonded Turntrans-51.6131169-24.237.3000110.8L256 F309 S313 P316 E320 E321 A324L256-P307 HydrophobicContact CD2-CG 4.18Å; P307-F309 VanDerWaalsContact C-N 3.31Å; P307-F309 PolarHBondContact O-N 2.89Å; P307-S313 CarbonylContact C-O 3.15Å; P307-S313 WeakPolarHBondContact CA-O 3.47Å; P307-P316 VanDerWaalsContact O-CD 3.31Å; P307-P316 WeakPolarHBondContact O-CD 3.32Å; P307-E320 HydrophobicContact CB-CB 4.26Å; P307-E320 HydrophobicContact CG-CB 3.98Å; P307-E321 WeakPolarHBondContact CD-OE1 3.41Å; P307-A324 HydrophobicContact CG-CB 3.98Å
308G96.7Very high97.3Very high17 Ų1715 Ų1518%0.17510%0.098CC..THydrogen-bonded Turntrans792.7-175.700000115.8T218 H306 S313 G314T218-G308 WeakPolarHBondContact CA-O 3.17Å; T218-G308 PolarHBondContact OG1-O 2.87Å; T218-G308 VanDerWaalsContact OG1-O 3.06Å; H306-G308 PolarHBondContact O-N 3.33Å; G308-S313 PolarHBondContact N-O 2.95Å; G308-G314 WeakPolarHBondContact CA-O 3.5Å; G308-G314 PolarHBondContact N-O 3.26Å
309F97.4Very high97.4Very high0 Ų019.1 Ų19.10%011%0.114CC..SBendtrans-101.3138.7175.9-79.2-135000111.3Y215 N282 G284 F285 N305 H306 P307 H311 S312 P316Y215-F309 AromaticContact CD1-CE2 3.95Å; Y215-F309 HydrophobicContact CD1-CE2 3.95Å; Y215-F309 AromaticContact CD1-CZ 3.76Å; Y215-F309 HydrophobicContact CD1-CZ 3.76Å; Y215-F309 HydrophobicContact CG-CE2 4.31Å; Y215-F309 HydrophobicContact CG-CZ 4.33Å; N282-F309 WeakPolarHBondContact O-CE1 3.41Å; N282-F309 WeakPolarHBondContact O-CZ 3.4Å; G284-F309 WeakPolarHBondContact O-CD1 3.44Å; F285-F309 HydrophobicContact CD1-CB 4.28Å; F285-F309 HydrophobicContact CD1-CD1 4.17Å; F285-F309 HydrophobicContact CE1-CB 3.95Å; F285-F309 AromaticContact CE1-CD1 3.8Å; F285-F309 HydrophobicContact CE1-CD1 3.8Å; F285-F309 HydrophobicContact CE1-CG 4.19Å; F285-F309 HydrophobicContact CZ-CD1 4.1Å; N305-F309 HydrophobicContact CB-CB 3.99Å; H306-F309 HydrophobicContact CB-CB 4.2Å; H306-F309 HydrophobicContact CB-CD1 4.3Å; H306-F309 HydrophobicContact CB-CD2 3.66Å; H306-F309 HydrophobicContact CB-CE2 4.05Å; H306-F309 HydrophobicContact CB-CG 3.81Å; H306-F309 AromaticContact CD2-CE1 3.99Å; H306-F309 WeakPolarHBondContact O-CB 3.44Å; H306-F309 PolarHBondContact O-N 3.31Å; P307-F309 VanDerWaalsContact C-N 3.31Å; P307-F309 PolarHBondContact O-N 2.89Å; F309-H311 PolarHBondContact O-N 2.84Å; F309-S312 VanDerWaalsContact O-CB 3.28Å; F309-S312 WeakPolarHBondContact O-CB 3.42Å; F309-S312 PolarHBondContact O-N 2.87Å; F309-P316 HydrophobicContact CE2-CG 4.25Å
310G94.2Very high97.5Very high18 Ų1819.5 Ų19.519%0.18612%0.117CC..THydrogen-bonded Turntrans59.9-115174.100000111
311H95.4Very high97.5Very high52 Ų5219.5 Ų19.524%0.24112%0.117CC..THydrogen-bonded Turntrans-105.46.7173.7-59-92.2000114.6F138 R234 R245 D257 F309F138-H311 HydrophobicContact CB-CB 4.21Å; F138-H311 HydrophobicContact CD1-CB 3.63Å; F138-H311 HydrophobicContact CE1-CB 4.43Å; F138-H311 HydrophobicContact CG-CB 4.29Å; R234-H311 PolarHBondContact NH2-CD2 2.84Å; R245-H311 PolarHBondContact NH2-CD2 3.08Å; D257-H311 HydrophobicContact CB-CB 4.06Å; D257-H311 WeakPolarHBondContact OD2-CB 3.32Å; D257-H311 IonicContact OD2-CD2 3.26Å; D257-H311 IonicContact OD2-CG 3.3Å; F309-H311 PolarHBondContact O-N 2.84Å
312S98Very high97.4Very high8 Ų821.8 Ų21.86%0.05613%0.127CC..  trans-71.1142.5165.2-64.50000109.8L255 L256 D257 N305 H306 F309L255-S312 CarbonylContact O-C 3.57Å; L255-S312 VanDerWaalsContact O-CA 3.29Å; L255-S312 WeakPolarHBondContact O-CA 3.36Å; L256-S312 WeakPolarHBondContact CA-OG 3.27Å; D257-S312 PolarHBondContact N-OG 2.73Å; N305-S312 PolarHBondContact O-OG 3.34Å; H306-S312 WeakPolarHBondContact O-CB 3.41Å; F309-S312 VanDerWaalsContact O-CB 3.28Å; F309-S312 WeakPolarHBondContact O-CB 3.42Å; F309-S312 PolarHBondContact O-N 2.87Å
313S97.3Very high97.3Very high44 Ų4422.2 Ų22.231%0.30813%0.131SC..  trans-94.9170.7177.568.40000111.8L255 P307 G308L255-S313 WeakPolarHBondContact CB-OG 3.19Å; L255-S313 PolarHBondContact N-OG 2.83Å; L255-S313 PolarHBondContact O-N 2.81Å; L255-S313 PolarHBondContact O-OG 2.8Å; P307-S313 CarbonylContact C-O 3.15Å; P307-S313 WeakPolarHBondContact CA-O 3.47Å; G308-S313 PolarHBondContact N-O 2.95Å
314G96Very high97.3Very high44 Ų4422.2 Ų22.245%0.45413%0.131SC..SBendtrans89.8-158.3175.700000113G308G308-G314 WeakPolarHBondContact CA-O 3.5Å; G308-G314 PolarHBondContact N-O 3.26Å
315M96.6Very high97.3Very high45 Ų4522.1 Ų22.122%0.22213%0.131CC..  trans-134.9145.6177.6-70.2-63.7-65.800108.4I211 Y212 T218 W317 E320I211-M315 HydrophobicContact CB-CE 4.38Å; I211-M315 HydrophobicContact CG1-CE 3.73Å; I211-M315 HydrophobicContact CG2-CE 3.68Å; Y212-M315 HydrophobicContact CD1-CE 4.41Å; Y212-M315 HydrophobicContact CE1-CE 3.77Å; T218-M315 HydrophobicContact CG2-CE 3.97Å; M315-W317 PolarHBondContact O-N 2.81Å; M315-E320 VanDerWaalsContact O-CB 3.32Å; M315-E320 WeakPolarHBondContact O-CB 2.97Å; M315-E320 WeakPolarHBondContact O-CG 3.15Å
316P97.3Very high97.3Very high0 Ų023 Ų230%014%0.135CC..  trans-81.855.5-172.634.5-36.3000111.6I211 Y215 P307 F309 E321I211-P316 HydrophobicContact CD1-CG 4.09Å; I211-P316 HydrophobicContact CG1-CG 4.44Å; Y215-P316 HydrophobicContact CD1-CB 3.88Å; Y215-P316 HydrophobicContact CD1-CG 3.95Å; Y215-P316 HydrophobicContact CD2-CB 3.77Å; Y215-P316 HydrophobicContact CD2-CG 3.51Å; Y215-P316 HydrophobicContact CE1-CB 4.07Å; Y215-P316 HydrophobicContact CE2-CB 3.98Å; Y215-P316 HydrophobicContact CE2-CG 4.22Å; Y215-P316 VanDerWaalsContact CE2-O 3.31Å; Y215-P316 WeakPolarHBondContact CE2-O 3.46Å; Y215-P316 HydrophobicContact CG-CB 3.73Å; Y215-P316 HydrophobicContact CG-CG 3.36Å; P307-P316 VanDerWaalsContact O-CD 3.31Å; P307-P316 WeakPolarHBondContact O-CD 3.32Å; F309-P316 HydrophobicContact CE2-CG 4.25Å; P316-E321 HydrophobicContact CB-CG 4.49Å
317W97.9Very high97.2Very high49 Ų4922.9 Ų22.919%0.18614%0.135CC..  trans-68.3152170.4-62.4113.9000110A206 I211 M315 E319 E320 E321 M400A206-W317 HydrophobicContact CB-CH2 4.27Å; A206-W317 HydrophobicContact CB-CZ3 4.31Å; I211-W317 HydrophobicContact CB-CH2 3.67Å; I211-W317 HydrophobicContact CB-CZ2 4.17Å; I211-W317 HydrophobicContact CB-CZ3 3.92Å; I211-W317 HydrophobicContact CD1-CD2 4.11Å; I211-W317 HydrophobicContact CD1-CE3 3.73Å; I211-W317 HydrophobicContact CD1-CH2 4.29Å; I211-W317 HydrophobicContact CD1-CZ3 3.83Å; I211-W317 HydrophobicContact CG1-CD2 4.41Å; I211-W317 HydrophobicContact CG1-CE3 4.26Å; I211-W317 HydrophobicContact CG1-CH2 3.97Å; I211-W317 HydrophobicContact CG1-CZ2 4.12Å; I211-W317 HydrophobicContact CG1-CZ3 4.03Å; I211-W317 HydrophobicContact CG2-CH2 4.08Å; I211-W317 HydrophobicContact CG2-CZ2 4.3Å; M315-W317 PolarHBondContact O-N 2.81Å; W317-E319 PolarHBondContact O-N 3Å; W317-E319 VanDerWaalsContact O-N 3.13Å; W317-E320 HydrophobicContact CB-CB 4.37Å; W317-E320 HydrophobicContact CB-CG 4.13Å; W317-E320 CarbonylContact O-C 3.51Å; W317-E320 WeakPolarHBondContact O-CA 3.3Å; W317-E320 WeakPolarHBondContact O-CB 3.35Å; W317-E320 PolarHBondContact O-N 3.22Å; W317-E321 PolarHBondContact O-N 3.27Å; W317-M400 HydrophobicContact CZ3-CG 4.31Å
318P97.8Very high97.3Very high6 Ų622.9 Ų22.94%0.03914%0.135CC..Hα-helixtrans-49-43.5179.8-28.434.8000113.6E320 E321 Q322 Y352 Y399 L402P318-E320 VanDerWaalsContact C-N 3.35Å; P318-E320 PolarHBondContact O-N 3.44Å; P318-E321 WeakPolarHBondContact O-CB 3.19Å; P318-E321 PolarHBondContact O-N 3.1Å; P318-Q322 WeakPolarHBondContact O-CG 3.26Å; P318-Q322 PolarHBondContact O-N 2.81Å; P318-Y352 HydrophobicContact CB-CE1 3.91Å; P318-Y352 WeakPolarHBondContact CB-OH 3.41Å; P318-Y399 WeakPolarHBondContact CD-O 3.48Å; P318-L402 HydrophobicContact CB-CD2 4.3Å; P318-L402 HydrophobicContact CG-CD2 3.99Å
319E96.5Very high97.3Very high97 Ų9722.1 Ų22.145%0.45313%0.127SC..Hα-helixtrans-72.6-25.9178.7-55.977.4-170.100113.5R252 W317 A323R252-E319 WeakPolarHBondContact CD-O 3.42Å; W317-E319 PolarHBondContact O-N 3Å; W317-E319 VanDerWaalsContact O-N 3.13Å; E319-A323 VanDerWaalsContact O-CB 3.31Å; E319-A323 WeakPolarHBondContact O-CB 3.36Å; E319-A323 PolarHBondContact O-N 3.12Å
320E97.9Very high97.3Very high26 Ų2622.2 Ų22.212%0.12113%0.127CC..Hα-helixtrans-75.3-39.4173.6-67-71.6163.400110.6R252 S254 P307 M315 W317 P318 A323 A324R252-E320 WeakPolarHBondContact CD-OE1 3.28Å; R252-E320 IonicContact CZ-OE1 3.53Å; R252-E320 VanDerWaalsContact NE-CD 3.32Å; R252-E320 IonicContact NE-OE1 3.55Å; R252-E320 PolarHBondContact NE-OE1 2.91Å; R252-E320 IonicContact NE-OE2 2.67Å; R252-E320 IonicContact NH2-OE1 3.69Å; S254-E320 WeakPolarHBondContact CB-OE2 3.41Å; S254-E320 PolarHBondContact OG-OE2 3.04Å; P307-E320 HydrophobicContact CB-CB 4.26Å; P307-E320 HydrophobicContact CG-CB 3.98Å; M315-E320 VanDerWaalsContact O-CB 3.32Å; M315-E320 WeakPolarHBondContact O-CB 2.97Å; M315-E320 WeakPolarHBondContact O-CG 3.15Å; W317-E320 HydrophobicContact CB-CB 4.37Å; W317-E320 HydrophobicContact CB-CG 4.13Å; W317-E320 CarbonylContact O-C 3.51Å; W317-E320 WeakPolarHBondContact O-CA 3.3Å; W317-E320 WeakPolarHBondContact O-CB 3.35Å; W317-E320 PolarHBondContact O-N 3.22Å; P318-E320 VanDerWaalsContact C-N 3.35Å; P318-E320 PolarHBondContact O-N 3.44Å; E320-A323 PolarHBondContact O-N 3.35Å; E320-A324 WeakPolarHBondContact O-CB 3.23Å; E320-A324 PolarHBondContact O-N 3.06Å
321E98.3Very high97.5Very high0 Ų021.7 Ų21.70%012%0.12CC..Hα-helixtrans-60.2-45.4172.1-73.2-69.4124.700111.5H306 P307 P316 W317 P318 A324 I325 Y352 P353H306-E321 WeakPolarHBondContact CB-OE1 3.15Å; H306-E321 IonicContact CE1-OE2 3.52Å; H306-E321 PolarHBondContact CE1-OE2 3.3Å; H306-E321 VanDerWaalsContact CE1-OE2 3.31Å; H306-E321 IonicContact CG-OE1 3.57Å; H306-E321 IonicContact CG-OE2 3.67Å; H306-E321 IonicContact ND1-OE1 2.76Å; H306-E321 PolarHBondContact ND1-OE1 3.47Å; H306-E321 IonicContact ND1-OE2 3.4Å; H306-E321 PolarHBondContact ND1-OE2 2.94Å; P307-E321 WeakPolarHBondContact CD-OE1 3.41Å; P316-E321 HydrophobicContact CB-CG 4.49Å; W317-E321 PolarHBondContact O-N 3.27Å; P318-E321 WeakPolarHBondContact O-CB 3.19Å; P318-E321 PolarHBondContact O-N 3.1Å; E321-A324 WeakPolarHBondContact O-CB 3.28Å; E321-A324 PolarHBondContact O-N 3.17Å; E321-I325 WeakPolarHBondContact O-CG2 2.94Å; E321-I325 PolarHBondContact O-N 3.43Å; E321-Y352 HydrophobicContact CB-CD1 4.25Å; E321-Y352 HydrophobicContact CB-CE1 4.36Å; E321-P353 HydrophobicContact CB-CB 4.49Å; E321-P353 WeakPolarHBondContact OE2-CG 3.41Å
322Q97.6Very high97.6Very high47 Ų4719.2 Ų19.222%0.2211%0.108CC..Hα-helixtrans-60.9-48.2174.4-67.6172.414.700111.8P318 A324 I325 D326 Y352 W356P318-Q322 WeakPolarHBondContact O-CG 3.26Å; P318-Q322 PolarHBondContact O-N 2.81Å; Q322-A324 PolarHBondContact O-N 3.08Å; Q322-I325 WeakPolarHBondContact O-CG2 3.27Å; Q322-D326 VanDerWaalsContact O-CB 3.28Å; Q322-D326 WeakPolarHBondContact O-CB 3.37Å; Q322-D326 PolarHBondContact O-N 3.02Å; Q322-Y352 HydrophobicContact CG-CE1 4.2Å; Q322-Y352 PolarHBondContact NE2-OH 3.43Å; Q322-W356 HydrophobicContact CB-CD2 4.04Å; Q322-W356 HydrophobicContact CB-CG 4.36Å; Q322-W356 HydrophobicContact CB-CZ2 4.18Å; Q322-W356 VanDerWaalsContact CD-NE1 3.33Å; Q322-W356 HydrophobicContact CG-CB 4.47Å; Q322-W356 VanDerWaalsContact CG-CD1 3.48Å; Q322-W356 HydrophobicContact CG-CD2 3.93Å; Q322-W356 HydrophobicContact CG-CG 3.72Å
323A96.8Very high97.5Very high10 Ų1020.5 Ų20.58%0.08312%0.115CC..Hα-helixtrans-64.2-29.3177.400000112.3R252 E319 E320 V327R252-A323 HydrophobicContact CG-CB 3.81Å; E319-A323 VanDerWaalsContact O-CB 3.31Å; E319-A323 WeakPolarHBondContact O-CB 3.36Å; E319-A323 PolarHBondContact O-N 3.12Å; E320-A323 PolarHBondContact O-N 3.35Å; A323-V327 PolarHBondContact O-N 3.46Å
324A98.6Very high97.4Very high0 Ų021.4 Ų21.40%012%0.121CC..Hα-helixtrans-72.9-52.717900000112T250 L256 W304 P307 E320 E321 Q322 D326 V327 V328T250-A324 HydrophobicContact CG2-CB 4.38Å; L256-A324 HydrophobicContact CD1-CB 3.67Å; L256-A324 HydrophobicContact CD2-CB 3.9Å; L256-A324 HydrophobicContact CG-CB 4.36Å; W304-A324 HydrophobicContact CE3-CB 4.2Å; W304-A324 HydrophobicContact CH2-CB 4.13Å; W304-A324 HydrophobicContact CZ3-CB 3.53Å; P307-A324 HydrophobicContact CG-CB 3.98Å; E320-A324 WeakPolarHBondContact O-CB 3.23Å; E320-A324 PolarHBondContact O-N 3.06Å; E321-A324 WeakPolarHBondContact O-CB 3.28Å; E321-A324 PolarHBondContact O-N 3.17Å; Q322-A324 PolarHBondContact O-N 3.08Å; A324-D326 VanDerWaalsContact C-N 3.26Å; A324-D326 PolarHBondContact O-N 2.94Å; A324-V327 VanDerWaalsContact O-CG1 3.23Å; A324-V327 WeakPolarHBondContact O-CG1 3.34Å; A324-V327 PolarHBondContact O-N 2.86Å; A324-V328 VanDerWaalsContact O-CG2 3.29Å; A324-V328 WeakPolarHBondContact O-CG2 3.31Å; A324-V328 PolarHBondContact O-N 3.07Å; A324-V328 VanDerWaalsContact O-N 3.11Å
325I98.5Very high97.3Very high0 Ų021.7 Ų21.70%011%0.112CC..Hα-helixtrans-64.9-33.2178-168.859.6000111.9V277 W304 E321 Q322 V328 M329 P353 W356 A357V277-I325 HydrophobicContact CG1-CD1 3.91Å; W304-I325 HydrophobicContact CZ2-CB 4.24Å; W304-I325 HydrophobicContact CZ2-CD1 3.95Å; E321-I325 WeakPolarHBondContact O-CG2 2.94Å; E321-I325 PolarHBondContact O-N 3.43Å; Q322-I325 WeakPolarHBondContact O-CG2 3.27Å; I325-V328 HydrophobicContact CD1-CB 4.35Å; I325-V328 HydrophobicContact CD1-CG1 4.26Å; I325-V328 WeakPolarHBondContact O-CB 3.37Å; I325-V328 PolarHBondContact O-N 3.11Å; I325-M329 HydrophobicContact CG1-CG 4.38Å; I325-M329 VanDerWaalsContact O-CG 3.31Å; I325-M329 WeakPolarHBondContact O-CG 3.47Å; I325-M329 PolarHBondContact O-N 3.27Å; I325-P353 HydrophobicContact CB-CB 3.8Å; I325-P353 HydrophobicContact CG1-CB 4.3Å; I325-P353 HydrophobicContact CG2-CB 3.79Å; I325-P353 WeakPolarHBondContact CG2-O 3.35Å; I325-W356 HydrophobicContact CG2-CE3 3.7Å; I325-W356 HydrophobicContact CG2-CZ3 4.16Å; I325-A357 HydrophobicContact CG1-CB 3.57Å; I325-A357 HydrophobicContact CG2-CB 4.29Å
326D97.6Very high97.2Very high18 Ų1822 Ų2210%0.09613%0.127CC..Hα-helixtrans-59.7-50.1175.7-172.318.9000111.6W147 Q322 A324 V328 M329 Q330 W356 Y361W147-D326 PolarHBondContact NE1-OD2 3.37Å; Q322-D326 VanDerWaalsContact O-CB 3.28Å; Q322-D326 WeakPolarHBondContact O-CB 3.37Å; Q322-D326 PolarHBondContact O-N 3.02Å; A324-D326 VanDerWaalsContact C-N 3.26Å; A324-D326 PolarHBondContact O-N 2.94Å; D326-V328 VanDerWaalsContact C-N 3.29Å; D326-V328 PolarHBondContact O-N 3.02Å; D326-M329 PolarHBondContact O-N 3.03Å; D326-Q330 WeakPolarHBondContact O-CG 3.5Å; D326-Q330 PolarHBondContact O-N 2.71Å; D326-Q330 PolarHBondContact OD1-NE2 3.47Å; D326-W356 HydrophobicContact CB-CH2 3.89Å; D326-W356 HydrophobicContact CB-CZ3 3.77Å; D326-Y361 PolarHBondContact OD1-OH 3.39Å
327V97.6Very high97.2Very high0 Ų022.5 Ų22.50%013%0.129CC..Hα-helixtrans-66.9-31.3178.172.70000112.5Y145 W147 L248 T250 L256 A323 A324 F331Y145-V327 HydrophobicContact CD1-CG2 3.7Å; Y145-V327 HydrophobicContact CE1-CG2 3.93Å; W147-V327 HydrophobicContact CB-CB 4.26Å; W147-V327 HydrophobicContact CB-CG2 3.98Å; L248-V327 HydrophobicContact CB-CG1 4.15Å; L248-V327 HydrophobicContact CB-CG2 4.16Å; L248-V327 HydrophobicContact CD1-CG1 4.43Å; T250-V327 HydrophobicContact CG2-CG1 3.86Å; L256-V327 HydrophobicContact CD1-CG1 3.64Å; A323-V327 PolarHBondContact O-N 3.46Å; A324-V327 VanDerWaalsContact O-CG1 3.23Å; A324-V327 WeakPolarHBondContact O-CG1 3.34Å; A324-V327 PolarHBondContact O-N 2.86Å; V327-F331 VanDerWaalsContact O-CB 3.28Å; V327-F331 WeakPolarHBondContact O-CB 3.41Å; V327-F331 PolarHBondContact O-N 2.95Å
328V98.6Very high97.1Very high0 Ų026 Ų260%015%0.146CC..Hα-helixtrans-63.8-45.2173.9168.80000110.6L248 L256 V277 L302 W304 A324 I325 D326 F331 A332L248-V328 HydrophobicContact CD1-CG2 4.03Å; L256-V328 HydrophobicContact CD1-CG2 4.07Å; V277-V328 HydrophobicContact CG1-CG1 3.72Å; L302-V328 HydrophobicContact CD2-CG1 3.6Å; L302-V328 WeakPolarHBondContact CD2-O 3.46Å; L302-V328 HydrophobicContact CG-CG1 3.97Å; W304-V328 HydrophobicContact CB-CG2 4.07Å; W304-V328 HydrophobicContact CD2-CG2 4.02Å; W304-V328 HydrophobicContact CG-CG1 4.46Å; W304-V328 HydrophobicContact CG-CG2 3.79Å; A324-V328 VanDerWaalsContact O-CG2 3.29Å; A324-V328 WeakPolarHBondContact O-CG2 3.31Å; A324-V328 PolarHBondContact O-N 3.07Å; A324-V328 VanDerWaalsContact O-N 3.11Å; I325-V328 HydrophobicContact CD1-CB 4.35Å; I325-V328 HydrophobicContact CD1-CG1 4.26Å; I325-V328 WeakPolarHBondContact O-CB 3.37Å; I325-V328 PolarHBondContact O-N 3.11Å; D326-V328 VanDerWaalsContact C-N 3.29Å; D326-V328 PolarHBondContact O-N 3.02Å; V328-F331 WeakPolarHBondContact O-CB 3.39Å; V328-F331 PolarHBondContact O-N 2.92Å; V328-A332 PolarHBondContact O-N 3.47Å
329M98.2Very high97Very high0 Ų026.5 Ų26.50%015%0.147CC..Hα-helixtrans-64.3-46.7176-69.5-58.8-68.500111.5V277 I325 D326 F331 A332 L333 I342 I344 A357 Y361 I364V277-M329 HydrophobicContact CG2-SD 4.16Å; I325-M329 HydrophobicContact CG1-CG 4.38Å; I325-M329 VanDerWaalsContact O-CG 3.31Å; I325-M329 WeakPolarHBondContact O-CG 3.47Å; I325-M329 PolarHBondContact O-N 3.27Å; D326-M329 PolarHBondContact O-N 3.03Å; M329-F331 VanDerWaalsContact C-N 3.28Å; M329-F331 PolarHBondContact O-N 3.5Å; M329-A332 WeakPolarHBondContact O-CB 3.34Å; M329-A332 PolarHBondContact O-N 3.43Å; M329-A332 VanDerWaalsContact O-N 3.16Å; M329-L333 WeakPolarHBondContact O-CG 3.41Å; M329-L333 PolarHBondContact O-N 3.41Å; M329-I342 HydrophobicContact CE-CD1 4.04Å; M329-I342 HydrophobicContact CE-CG2 3.99Å; M329-I342 HydrophobicContact SD-CG2 4.29Å; M329-I344 HydrophobicContact SD-CD1 4.15Å; M329-A357 HydrophobicContact CG-CB 4.28Å; M329-Y361 HydrophobicContact CB-CD1 4.38Å; M329-Y361 HydrophobicContact CB-CD2 3.96Å; M329-Y361 HydrophobicContact CB-CE1 3.97Å; M329-Y361 HydrophobicContact CB-CE2 3.52Å; M329-Y361 HydrophobicContact CB-CG 4.38Å; M329-Y361 HydrophobicContact CE-CD1 4.27Å; M329-Y361 HydrophobicContact CE-CD2 4.19Å; M329-Y361 HydrophobicContact CE-CG 3.87Å; M329-Y361 HydrophobicContact CG-CD2 3.9Å; M329-Y361 HydrophobicContact CG-CE2 3.85Å; M329-Y361 HydrophobicContact CG-CG 4.46Å; M329-I364 HydrophobicContact CE-CG2 3.75Å
330Q97Very high97Very high2 Ų227.1 Ų27.11%0.00915%0.15CC..Hα-helixtrans-58.9-40.4174.9-67.8-176.418.800112.1Y145 W147 K148 F151 D326 L333 S334 Y361Y145-Q330 HydrophobicContact CE1-CB 3.8Å; Y145-Q330 WeakPolarHBondContact OH-CB 3.41Å; W147-Q330 VanDerWaalsContact CD1-NE2 3.29Å; K148-Q330 PolarHBondContact O-NE2 3.16Å; K148-Q330 PolarHBondContact O-OE1 2.62Å; F151-Q330 HydrophobicContact CD2-CG 3.83Å; F151-Q330 HydrophobicContact CE2-CG 3.84Å; D326-Q330 WeakPolarHBondContact O-CG 3.5Å; D326-Q330 PolarHBondContact O-N 2.71Å; D326-Q330 PolarHBondContact OD1-NE2 3.47Å; Q330-L333 PolarHBondContact O-N 2.93Å; Q330-S334 WeakPolarHBondContact O-CB 3.38Å; Q330-S334 PolarHBondContact O-N 3.07Å; Q330-Y361 WeakPolarHBondContact CG-OH 3.47Å
331F97.1Very high97Very high7 Ų728.1 Ų28.13%0.03116%0.157CC..Hα-helixtrans-62.5-45.4175.7177.6-105.3000111.6Y145 F246 L248 F260 L302 V327 V328 M329 L333 S334 N335Y145-F331 HydrophobicContact CD1-CB 4.04Å; Y145-F331 HydrophobicContact CD1-CD2 4.36Å; Y145-F331 AromaticContact CD2-CD2 3.9Å; Y145-F331 HydrophobicContact CD2-CD2 3.9Å; Y145-F331 HydrophobicContact CE1-CB 4.34Å; Y145-F331 HydrophobicContact CG-CB 4.23Å; Y145-F331 AromaticContact CG-CD2 3.71Å; Y145-F331 HydrophobicContact CG-CD2 3.71Å; Y145-F331 HydrophobicContact CG-CG 4.46Å; F246-F331 HydrophobicContact CB-CZ 4.29Å; F246-F331 HydrophobicContact CD1-CE2 4.19Å; F246-F331 AromaticContact CD1-CZ 3.92Å; F246-F331 HydrophobicContact CD1-CZ 3.92Å; F246-F331 HydrophobicContact CD2-CE1 4.15Å; F246-F331 AromaticContact CD2-CZ 3.65Å; F246-F331 HydrophobicContact CD2-CZ 3.65Å; F246-F331 HydrophobicContact CE1-CE2 4.44Å; F246-F331 HydrophobicContact CE1-CZ 4.1Å; F246-F331 HydrophobicContact CE2-CE1 4.46Å; F246-F331 AromaticContact CE2-CZ 3.83Å; F246-F331 HydrophobicContact CE2-CZ 3.83Å; F246-F331 HydrophobicContact CG-CE1 4.44Å; F246-F331 HydrophobicContact CG-CE2 4.28Å; F246-F331 AromaticContact CG-CZ 3.69Å; F246-F331 HydrophobicContact CG-CZ 3.69Å; F246-F331 HydrophobicContact CZ-CZ 4.05Å; L248-F331 HydrophobicContact CD1-CB 3.98Å; L248-F331 HydrophobicContact CD1-CD1 4.42Å; L248-F331 HydrophobicContact CD1-CG 4.18Å; L248-F331 HydrophobicContact CD2-CB 4.24Å; L248-F331 HydrophobicContact CD2-CD1 4.31Å; L248-F331 HydrophobicContact CD2-CD2 3.69Å; L248-F331 HydrophobicContact CD2-CE2 4.05Å; L248-F331 HydrophobicContact CD2-CG 3.81Å; F260-F331 HydrophobicContact CB-CE1 4.22Å; F260-F331 HydrophobicContact CD1-CE1 4.27Å; F260-F331 HydrophobicContact CD1-CZ 4.48Å; F260-F331 HydrophobicContact CG-CE1 4.19Å; L302-F331 HydrophobicContact CD1-CD1 3.93Å; L302-F331 HydrophobicContact CD1-CE1 3.97Å; L302-F331 HydrophobicContact CD2-CD1 3.94Å; V327-F331 VanDerWaalsContact O-CB 3.28Å; V327-F331 WeakPolarHBondContact O-CB 3.41Å; V327-F331 PolarHBondContact O-N 2.95Å; V328-F331 WeakPolarHBondContact O-CB 3.39Å; V328-F331 PolarHBondContact O-N 2.92Å; M329-F331 VanDerWaalsContact C-N 3.28Å; M329-F331 PolarHBondContact O-N 3.5Å; F331-L333 VanDerWaalsContact C-N 3.34Å; F331-L333 PolarHBondContact O-N 3.22Å; F331-S334 PolarHBondContact O-N 3.08Å; F331-S334 PolarHBondContact O-OG 3.11Å; F331-N335 WeakPolarHBondContact CD2-ND2 3.28Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.31Å; F331-N335 WeakPolarHBondContact CZ-ND2 3.45Å; F331-N335 PolarHBondContact O-N 2.93Å; F331-N335 VanDerWaalsContact O-N 3.08Å; F331-N335 PolarHBondContact O-ND2 2.74Å
332A98Very high97Very high0 Ų028.1 Ų28.10%016%0.157CC..Hα-helixtrans-55.9-48.1174.900000111.9L275 L302 V328 M329 S334 N335 F337 I342L275-A332 HydrophobicContact CD2-CB 3.48Å; L275-A332 VanDerWaalsContact CD2-CB 3.48Å; L302-A332 HydrophobicContact CD2-CB 3.88Å; V328-A332 PolarHBondContact O-N 3.47Å; M329-A332 WeakPolarHBondContact O-CB 3.34Å; M329-A332 PolarHBondContact O-N 3.43Å; M329-A332 VanDerWaalsContact O-N 3.16Å; A332-S334 VanDerWaalsContact C-N 3.35Å; A332-S334 PolarHBondContact O-N 3.15Å; A332-N335 PolarHBondContact O-N 2.92Å; A332-N335 VanDerWaalsContact O-N 3.16Å; A332-F337 PolarHBondContact O-N 3.26Å; A332-I342 HydrophobicContact CB-CD1 3.98Å
333L96.2Very high97.1Very high36 Ų3625.9 Ų25.919%0.18815%0.146CC..Hα-helixtrans-62.8-40.9177.9-62.6177000111.9F151 M329 Q330 F331 N335 G336 F337 E339 I342 Y361F151-L333 HydrophobicContact CE1-CD1 4.15Å; F151-L333 HydrophobicContact CZ-CD1 3.8Å; M329-L333 WeakPolarHBondContact O-CG 3.41Å; M329-L333 PolarHBondContact O-N 3.41Å; Q330-L333 PolarHBondContact O-N 2.93Å; F331-L333 VanDerWaalsContact C-N 3.34Å; F331-L333 PolarHBondContact O-N 3.22Å; L333-N335 PolarHBondContact O-N 3.08Å; L333-G336 PolarHBondContact O-N 2.97Å; L333-F337 WeakPolarHBondContact CA-O 3.5Å; L333-F337 WeakPolarHBondContact CD2-O 3.44Å; L333-E339 HydrophobicContact CD2-CG 3.95Å; L333-I342 HydrophobicContact CD2-CD1 4.04Å; L333-Y361 HydrophobicContact CD1-CD1 4.15Å; L333-Y361 HydrophobicContact CD1-CE1 3.79Å
334S94.8Very high97.2Very high63 Ų6325.4 Ų25.444%0.44114%0.142SC..Hα-helixtrans-65.3-23.9177.480.20000113.5Y145 Q330 F331 A332 G336Y145-S334 VanDerWaalsContact CE2-OG 3.29Å; Y145-S334 WeakPolarHBondContact CE2-OG 3.27Å; Q330-S334 WeakPolarHBondContact O-CB 3.38Å; Q330-S334 PolarHBondContact O-N 3.07Å; F331-S334 PolarHBondContact O-N 3.08Å; F331-S334 PolarHBondContact O-OG 3.11Å; A332-S334 VanDerWaalsContact C-N 3.35Å; A332-S334 PolarHBondContact O-N 3.15Å; S334-G336 PolarHBondContact O-N 3.22Å
335N94.7Very high97.2Very high50 Ų5025.5 Ų25.527%0.26714%0.143SC..THydrogen-bonded Turntrans-88.513.9173.6-76-87.1000112.8F260 R264 F331 A332 L333 F337F260-N335 HydrophobicContact CE1-CB 4.1Å; F260-N335 HydrophobicContact CZ-CB 4Å; R264-N335 PolarHBondContact NH1-O 3.43Å; R264-N335 PolarHBondContact NH2-O 3.08Å; F331-N335 WeakPolarHBondContact CD2-ND2 3.28Å; F331-N335 WeakPolarHBondContact CE2-ND2 3.31Å; F331-N335 WeakPolarHBondContact CZ-ND2 3.45Å; F331-N335 PolarHBondContact O-N 2.93Å; F331-N335 VanDerWaalsContact O-N 3.08Å; F331-N335 PolarHBondContact O-ND2 2.74Å; A332-N335 PolarHBondContact O-N 2.92Å; A332-N335 VanDerWaalsContact O-N 3.16Å; L333-N335 PolarHBondContact O-N 3.08Å; N335-F337 PolarHBondContact O-N 3.49Å
336G94.4Very high97.2Very high52 Ų5225.5 Ų25.554%0.53614%0.143SC..THydrogen-bonded Turntrans8111.617100000114.9R264 L333 S334R264-G336 PolarHBondContact NH1-O 3.48Å; L333-G336 PolarHBondContact O-N 2.97Å; S334-G336 PolarHBondContact O-N 3.22Å
337F97.2Very high97.2Very high10 Ų1026.2 Ų26.24%0.04414%0.144CC..  trans-74.7144.5162.6-74.8-84.6000109.2F260 R264 L275 A332 L333 N335 I342F260-F337 HydrophobicContact CE2-CD2 4.42Å; F260-F337 AromaticContact CE2-CE2 3.83Å; F260-F337 HydrophobicContact CE2-CE2 3.83Å; F260-F337 HydrophobicContact CZ-CD2 4.3Å; F260-F337 AromaticContact CZ-CE2 3.71Å; F260-F337 HydrophobicContact CZ-CE2 3.71Å; R264-F337 HydrophobicContact CG-CE1 4.46Å; R264-F337 HydrophobicContact CG-CZ 4.19Å; L275-F337 HydrophobicContact CB-CD1 3.53Å; L275-F337 HydrophobicContact CB-CD2 4.31Å; L275-F337 HydrophobicContact CB-CE1 3.64Å; L275-F337 HydrophobicContact CB-CE2 4.4Å; L275-F337 HydrophobicContact CB-CG 3.89Å; L275-F337 HydrophobicContact CB-CZ 4.08Å; L275-F337 HydrophobicContact CD1-CE2 4.24Å; L275-F337 HydrophobicContact CD1-CZ 4.26Å; L275-F337 HydrophobicContact CD2-CB 4.34Å; L275-F337 HydrophobicContact CD2-CD2 3.95Å; L275-F337 HydrophobicContact CD2-CE2 4.41Å; L275-F337 HydrophobicContact CD2-CG 4Å; L275-F337 HydrophobicContact CG-CG 4.49Å; A332-F337 PolarHBondContact O-N 3.26Å; L333-F337 WeakPolarHBondContact CA-O 3.5Å; L333-F337 WeakPolarHBondContact CD2-O 3.44Å; N335-F337 PolarHBondContact O-N 3.49Å; F337-I342 HydrophobicContact CB-CD1 4.33Å; F337-I342 HydrophobicContact CB-CG1 4.25Å
338K96.1Very high97.3Very high123 Ų12326.4 Ų26.454%0.53515%0.146SC..  trans-98.1152171.2-59177.8-178.1179.60108.7E340 N341 I342K338-E340 HydrophobicContact CB-CG 3.89Å; K338-E340 HydrophobicContact CD-CG 4.13Å; K338-E340 WeakPolarHBondContact CD-OE1 3.33Å; K338-E340 IonicContact NZ-OE1 3.65Å; K338-E340 PolarHBondContact NZ-OE1 2.92Å; K338-E340 PolarHBondContact O-N 2.69Å; K338-N341 WeakPolarHBondContact O-CA 3.35Å; K338-N341 PolarHBondContact O-N 3.24Å; K338-I342 WeakPolarHBondContact O-CG1 3.42Å
339E95.3Very high97.3Very high15 Ų1526.7 Ų26.77%0.0715%0.147CC..G310 helixtrans-48-48174.1-72.9172.4-139.900111.8R168 L333 N341 I342 Y361 N363 I364 K365R168-E339 IonicContact CZ-OE1 3.99Å; R168-E339 IonicContact NH1-OE1 3.03Å; R168-E339 IonicContact NH2-OE1 3.05Å; R168-E339 PolarHBondContact NH2-OE1 3.29Å; R168-E339 IonicContact NH2-OE2 2.69Å; L333-E339 HydrophobicContact CD2-CG 3.95Å; E339-N341 PolarHBondContact O-N 3.04Å; E339-I342 PolarHBondContact O-N 2.85Å; E339-Y361 HydrophobicContact CG-CD1 4.28Å; E339-N363 CarbonylContact C-O 3.59Å; E339-N363 HydrophobicContact CB-CB 3.92Å; E339-N363 WeakPolarHBondContact OE2-CB 3.22Å; E339-N363 PolarHBondContact OE2-N 2.96Å; E339-N363 PolarHBondContact OE2-ND2 3.03Å; E339-I364 VanDerWaalsContact O-CA 3.26Å; E339-I364 WeakPolarHBondContact O-CA 3.3Å; E339-K365 PolarHBondContact O-N 3.48Å
340E96.6Very high97.3Very high110 Ų11026.7 Ų26.751%0.51415%0.147SC..G310 helixtrans-58.7-10.1179.270.3-164.7-163.100115.2K338 N363 K365K338-E340 HydrophobicContact CB-CG 3.89Å; K338-E340 HydrophobicContact CD-CG 4.13Å; K338-E340 WeakPolarHBondContact CD-OE1 3.33Å; K338-E340 IonicContact NZ-OE1 3.65Å; K338-E340 PolarHBondContact NZ-OE1 2.92Å; K338-E340 PolarHBondContact O-N 2.69Å; E340-N363 WeakPolarHBondContact CA-O 3.34Å; E340-N363 PolarHBondContact N-O 3.15Å; E340-N363 VanDerWaalsContact N-O 3.08Å; E340-K365 WeakPolarHBondContact O-CB 3.44Å
341N97.8Very high97.4Very high48 Ų4826.6 Ų26.626%0.25715%0.146SC..G310 helixtrans-113.910.4176.1-65.5-59.7000112.9T274 L275 K338 E339T274-N341 CarbonylContact C-O 3.06Å; T274-N341 VanDerWaalsContact CA-O 3.31Å; T274-N341 WeakPolarHBondContact CA-O 3.47Å; L275-N341 PolarHBondContact N-O 2.66Å; K338-N341 WeakPolarHBondContact O-CA 3.35Å; K338-N341 PolarHBondContact O-N 3.24Å; E339-N341 PolarHBondContact O-N 3.04Å
342I98.6Very high97.5Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-107.2129.4178.8-63170.8000109.5L275 V277 M329 A332 L333 F337 K338 E339 I344 I364 K365L275-I342 HydrophobicContact CB-CG1 4.28Å; L275-I342 HydrophobicContact CD2-CG1 4.3Å; L275-I342 CarbonylContact O-C 3.59Å; L275-I342 WeakPolarHBondContact O-CA 3.22Å; V277-I342 HydrophobicContact CG2-CG2 3.81Å; M329-I342 HydrophobicContact CE-CD1 4.04Å; M329-I342 HydrophobicContact CE-CG2 3.99Å; M329-I342 HydrophobicContact SD-CG2 4.29Å; A332-I342 HydrophobicContact CB-CD1 3.98Å; L333-I342 HydrophobicContact CD2-CD1 4.04Å; F337-I342 HydrophobicContact CB-CD1 4.33Å; F337-I342 HydrophobicContact CB-CG1 4.25Å; K338-I342 WeakPolarHBondContact O-CG1 3.42Å; E339-I342 PolarHBondContact O-N 2.85Å; I342-I344 HydrophobicContact CG2-CG1 4.47Å; I342-I364 HydrophobicContact CB-CG2 4.28Å; I342-I364 HydrophobicContact CG2-CG2 4.27Å; I342-I364 WeakPolarHBondContact O-CB 3.43Å; I342-K365 WeakPolarHBondContact O-CA 3.21Å; I342-K365 VanDerWaalsContact O-CB 3.27Å; I342-K365 WeakPolarHBondContact O-CB 3.29Å; I342-K365 PolarHBondContact O-N 3.14Å
343V98.8Very high97.5Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-114.2137.7169.4176.80000107.4T274 L275 V276 V277 K365 G366 L540T274-V343 HydrophobicContact CG2-CG2 3.8Å; L275-V343 PolarHBondContact O-N 2.92Å; V276-V343 CarbonylContact C-O 3.59Å; V276-V343 VanDerWaalsContact CA-O 3.3Å; V276-V343 WeakPolarHBondContact CA-O 3.49Å; V276-V343 HydrophobicContact CG2-CB 4.44Å; V277-V343 PolarHBondContact N-O 2.85Å; V343-K365 HydrophobicContact CG2-CB 3.79Å; V343-K365 HydrophobicContact CG2-CD 4.04Å; V343-K365 HydrophobicContact CG2-CG 4.08Å; V343-G366 WeakPolarHBondContact CA-O 3.46Å; V343-L540 HydrophobicContact CG2-CD2 3.91Å
344I98.9Very high97.6Very high0 Ų024.9 Ų24.90%014%0.137CC..EExtended strand (participates in β ladder)trans-103.3116.8173-51.1179.8000108.4V277 M329 I342 A354 A357 I364 G366 L367 F368V277-I344 HydrophobicContact CB-CG1 4.38Å; V277-I344 CarbonylContact O-C 3.58Å; V277-I344 WeakPolarHBondContact O-CA 3.42Å; M329-I344 HydrophobicContact SD-CD1 4.15Å; I342-I344 HydrophobicContact CG2-CG1 4.47Å; I344-A354 HydrophobicContact CB-CB 4.49Å; I344-A354 HydrophobicContact CG2-CB 3.52Å; I344-A357 HydrophobicContact CD1-CB 3.58Å; I344-I364 HydrophobicContact CD1-CD1 3.94Å; I344-I364 HydrophobicContact CG1-CD1 4.12Å; I344-G366 PolarHBondContact N-O 3.31Å; I344-L367 HydrophobicContact CB-CD1 3.9Å; I344-L367 HydrophobicContact CG2-CD1 4.29Å; I344-F368 PolarHBondContact O-N 3.35Å
345L98.8Very high97.8Very high1 Ų121.9 Ų21.91%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-97.4119.1171.8169.659.5000108.2V276 V277 T278 C279 V290 P294 F368 F538V276-L345 HydrophobicContact CG1-CB 3.62Å; V276-L345 HydrophobicContact CG1-CD2 4.48Å; V277-L345 PolarHBondContact O-N 2.83Å; T278-L345 CarbonylContact C-O 3.58Å; T278-L345 VanDerWaalsContact CA-O 3.3Å; T278-L345 WeakPolarHBondContact CA-O 3.22Å; T278-L345 HydrophobicContact CG2-CD2 4.45Å; C279-L345 PolarHBondContact N-O 2.71Å; V290-L345 HydrophobicContact CB-CD2 4.27Å; V290-L345 HydrophobicContact CG2-CD2 4.24Å; V290-L345 HydrophobicContact CG2-CG 4.29Å; P294-L345 HydrophobicContact CG-CD2 4.17Å; L345-F368 WeakPolarHBondContact CA-O 3.44Å; L345-F368 HydrophobicContact CD1-CB 4.18Å; L345-F368 HydrophobicContact CD1-CD1 3.3Å; L345-F368 HydrophobicContact CD1-CE1 3.97Å; L345-F368 HydrophobicContact CD1-CG 4.04Å; L345-F538 HydrophobicContact CB-CE2 4.25Å; L345-F538 HydrophobicContact CD1-CD2 4.25Å; L345-F538 HydrophobicContact CD1-CE2 4.2Å; L345-F538 HydrophobicContact CD2-CD2 4.25Å; L345-F538 HydrophobicContact CD2-CE2 4.11Å; L345-F538 HydrophobicContact CG-CE2 4.42Å
346A98.8Very high97.9Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-128.1133.5-176.900000111.1C279 A351 A354 F368 L369 D370C279-A346 HydrophobicContact CB-CB 4.07Å; C279-A346 WeakPolarHBondContact O-CA 3.16Å; A346-A351 HydrophobicContact CB-CB 4.36Å; A346-A354 HydrophobicContact CB-CB 3.49Å; A346-A354 VanDerWaalsContact CB-CB 3.49Å; A346-F368 PolarHBondContact N-O 3.26Å; A346-L369 HydrophobicContact CB-CD2 3.95Å; A346-D370 PolarHBondContact O-N 3.49Å
347W98.6Very high98.1Very high33 Ų3318.6 Ų18.613%0.1258%0.084CC..EExtended strand (participates in β ladder)trans-114.6133.7176.8170.355.8000111C279 E280 G281 V290 I349 G350 D370 H529C279-W347 PolarHBondContact O-N 2.9Å; E280-W347 CarbonylContact C-O 3.48Å; G281-W347 VanDerWaalsContact N-CE3 3.29Å; V290-W347 HydrophobicContact CG1-CB 3.72Å; V290-W347 HydrophobicContact CG1-CD2 4.35Å; V290-W347 HydrophobicContact CG1-CE3 4.19Å; V290-W347 HydrophobicContact CG1-CG 4.18Å; W347-I349 PolarHBondContact O-N 2.65Å; W347-G350 PolarHBondContact O-N 3.42Å; W347-D370 CarbonylContact C-O 3.43Å; W347-D370 VanDerWaalsContact CA-O 3.32Å; W347-D370 WeakPolarHBondContact CA-O 3.24Å; W347-H529 AromaticContact CZ2-CD2 3.87Å; W347-H529 AromaticContact CZ2-NE2 3.95Å; W347-H529 AromaticContact NE1-NE2 4Å; W347-H529 PolarHBondContact NE1-O 2.81Å
348S98.4Very high98Very high5 Ų518.1 Ų18.14%0.0358%0.082CC..G310 helixtrans55.3-129.2175.5-169.50000111.4G350 A351 D370 A371 T372 H529S348-G350 PolarHBondContact O-N 3.36Å; S348-G350 VanDerWaalsContact O-N 3.11Å; S348-A351 WeakPolarHBondContact O-CB 3.44Å; S348-A351 PolarHBondContact O-N 2.79Å; S348-D370 PolarHBondContact N-O 3.1Å; S348-A371 WeakPolarHBondContact CA-O 3.35Å; S348-A371 PolarHBondContact N-O 2.91Å; S348-T372 VanDerWaalsContact O-CB 3.32Å; S348-T372 WeakPolarHBondContact O-CB 3.28Å; S348-T372 PolarHBondContact O-OG1 3.16Å; S348-H529 WeakPolarHBondContact CB-NE2 3.1Å; S348-H529 PolarHBondContact OG-CE1 3.16Å; S348-H529 VanDerWaalsContact OG-CE1 3.24Å; S348-H529 PolarHBondContact OG-NE2 3.46Å
349I98.4Very high98Very high5 Ų513.4 Ų13.43%0.0266%0.062CC..G310 helixtrans-57.9-22.5178.4-157.3165000114L214 Y215 N282 W347 A351 Y352 F373 L402L214-I349 HydrophobicContact CD1-CD1 3.47Å; L214-I349 VanDerWaalsContact CD1-CD1 3.47Å; L214-I349 HydrophobicContact CG-CD1 3.76Å; Y215-I349 HydrophobicContact CD1-CD1 4.48Å; Y215-I349 HydrophobicContact CD2-CD1 4.35Å; Y215-I349 HydrophobicContact CE1-CD1 3.91Å; Y215-I349 HydrophobicContact CE1-CG1 4.35Å; Y215-I349 HydrophobicContact CE1-CG2 3.91Å; Y215-I349 HydrophobicContact CE2-CD1 3.75Å; N282-I349 HydrophobicContact CB-CD1 4.41Å; N282-I349 HydrophobicContact CB-CG2 3.83Å; W347-I349 PolarHBondContact O-N 2.65Å; I349-A351 PolarHBondContact O-N 3.34Å; I349-Y352 WeakPolarHBondContact O-CB 3.47Å; I349-Y352 PolarHBondContact O-N 3.1Å; I349-F373 HydrophobicContact CB-CE1 4.3Å; I349-F373 HydrophobicContact CG1-CE1 4.39Å; I349-F373 HydrophobicContact CG1-CZ 4.23Å; I349-L402 HydrophobicContact CD1-CD1 3.49Å; I349-L402 VanDerWaalsContact CD1-CD1 3.49Å; I349-L402 HydrophobicContact CG1-CD1 3.49Å; I349-L402 VanDerWaalsContact CG1-CD1 3.49Å
350G98.7Very high97.9Very high0 Ų014.4 Ų14.40%07%0.067CC..G310 helixtrans-60.2-15.517700000113.4C279 E280 W347 S348 Y352 P353 A354C279-G350 VanDerWaalsContact CB-O 3.27Å; C279-G350 WeakPolarHBondContact CB-O 3.34Å; E280-G350 WeakPolarHBondContact O-CA 3.31Å; E280-G350 PolarHBondContact O-N 2.98Å; W347-G350 PolarHBondContact O-N 3.42Å; S348-G350 PolarHBondContact O-N 3.36Å; S348-G350 VanDerWaalsContact O-N 3.11Å; G350-Y352 PolarHBondContact O-N 2.8Å; G350-P353 VanDerWaalsContact O-CD 3.28Å; G350-P353 WeakPolarHBondContact O-CD 3.34Å; G350-P353 VanDerWaalsContact O-CG 3.29Å; G350-P353 WeakPolarHBondContact O-CG 3.32Å; G350-A354 WeakPolarHBondContact O-CB 3.45Å; G350-A354 PolarHBondContact O-N 3.11Å
351A98.8Very high97.8Very high0 Ų09.3 Ų9.30%04%0.043CC..Hα-helixtrans-65.9-23.2173.200000113.2A346 S348 I349 A354 T355 L369 T372 I404A346-A351 HydrophobicContact CB-CB 4.36Å; S348-A351 WeakPolarHBondContact O-CB 3.44Å; S348-A351 PolarHBondContact O-N 2.79Å; I349-A351 PolarHBondContact O-N 3.34Å; A351-A354 PolarHBondContact O-N 3.38Å; A351-T355 WeakPolarHBondContact O-CB 3.46Å; A351-T355 WeakPolarHBondContact O-CG2 3.28Å; A351-T355 PolarHBondContact O-N 3.37Å; A351-T355 PolarHBondContact O-OG1 2.88Å; A351-L369 HydrophobicContact CB-CD2 3.83Å; A351-T372 HydrophobicContact CB-CG2 3.77Å; A351-T372 WeakPolarHBondContact CB-OG1 3.45Å; A351-I404 HydrophobicContact CB-CD1 3.99Å; A351-I404 HydrophobicContact CB-CG1 4.43Å; A351-I404 HydrophobicContact CB-CG2 4.04Å
352Y98.8Very high97.6Very high7 Ų78.3 Ų8.33%0.0274%0.039CC..Hα-helixtrans-62.6-60.4176.6178.9-99.6000112.6P318 E321 Q322 I349 G350 A354 T355 W356 L402 I404 Q407P318-Y352 HydrophobicContact CB-CE1 3.91Å; P318-Y352 WeakPolarHBondContact CB-OH 3.41Å; E321-Y352 HydrophobicContact CB-CD1 4.25Å; E321-Y352 HydrophobicContact CB-CE1 4.36Å; Q322-Y352 HydrophobicContact CG-CE1 4.2Å; Q322-Y352 PolarHBondContact NE2-OH 3.43Å; I349-Y352 WeakPolarHBondContact O-CB 3.47Å; I349-Y352 PolarHBondContact O-N 3.1Å; G350-Y352 PolarHBondContact O-N 2.8Å; Y352-A354 PolarHBondContact O-N 2.83Å; Y352-T355 PolarHBondContact O-N 3.01Å; Y352-T355 PolarHBondContact O-OG1 2.8Å; Y352-W356 PolarHBondContact O-N 2.98Å; Y352-W356 VanDerWaalsContact O-N 3.12Å; Y352-L402 HydrophobicContact CD1-CD2 3.77Å; Y352-L402 HydrophobicContact CD2-CB 3.8Å; Y352-L402 HydrophobicContact CD2-CD2 3.75Å; Y352-L402 HydrophobicContact CD2-CG 4.35Å; Y352-L402 HydrophobicContact CE1-CD2 3.92Å; Y352-L402 HydrophobicContact CE2-CB 4.27Å; Y352-L402 HydrophobicContact CE2-CD2 3.85Å; Y352-L402 HydrophobicContact CG-CB 4.25Å; Y352-L402 HydrophobicContact CG-CD2 3.68Å; Y352-L402 HydrophobicContact CG-CG 4.45Å; Y352-I404 HydrophobicContact CD2-CG1 4.48Å; Y352-Q407 PolarHBondContact O-OE1 3.48Å
353P98.5Very high97.4Very high0 Ų012.5 Ų12.50%06%0.062CC..Hα-helixtrans-61.2-32.417423.9-33.7000112.3C279 W304 E321 I325 G350 W356 A357C279-P353 HydrophobicContact CB-CG 4.43Å; W304-P353 HydrophobicContact CH2-CB 4.23Å; W304-P353 HydrophobicContact CH2-CG 4.2Å; W304-P353 HydrophobicContact CZ2-CB 4.26Å; W304-P353 HydrophobicContact CZ2-CG 4.19Å; E321-P353 HydrophobicContact CB-CB 4.49Å; E321-P353 WeakPolarHBondContact OE2-CG 3.41Å; I325-P353 HydrophobicContact CB-CB 3.8Å; I325-P353 HydrophobicContact CG1-CB 4.3Å; I325-P353 HydrophobicContact CG2-CB 3.79Å; I325-P353 WeakPolarHBondContact CG2-O 3.35Å; G350-P353 VanDerWaalsContact O-CD 3.28Å; G350-P353 WeakPolarHBondContact O-CD 3.34Å; G350-P353 VanDerWaalsContact O-CG 3.29Å; G350-P353 WeakPolarHBondContact O-CG 3.32Å; P353-W356 PolarHBondContact O-N 2.77Å; P353-A357 WeakPolarHBondContact O-CB 3.45Å; P353-A357 PolarHBondContact O-N 3.32Å
354A98.8Very high97.3Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-67.8-44.8-178.500000113.6I344 A346 G350 A351 Y352 A357 A358 L367I344-A354 HydrophobicContact CB-CB 4.49Å; I344-A354 HydrophobicContact CG2-CB 3.52Å; A346-A354 HydrophobicContact CB-CB 3.49Å; A346-A354 VanDerWaalsContact CB-CB 3.49Å; G350-A354 WeakPolarHBondContact O-CB 3.45Å; G350-A354 PolarHBondContact O-N 3.11Å; A351-A354 PolarHBondContact O-N 3.38Å; Y352-A354 PolarHBondContact O-N 2.83Å; A354-A357 PolarHBondContact O-N 2.99Å; A354-A358 WeakPolarHBondContact O-CB 3.49Å; A354-A358 PolarHBondContact O-N 2.95Å; A354-L367 HydrophobicContact CB-CD1 3.79Å
355T98.5Very high97.2Very high0 Ų015.9 Ų15.90%08%0.077CC..Hα-helixtrans-68-38.4175.4480000111.2A351 Y352 A357 A358 I359 L367 L369 I404 Q407 L408A351-T355 WeakPolarHBondContact O-CB 3.46Å; A351-T355 WeakPolarHBondContact O-CG2 3.28Å; A351-T355 PolarHBondContact O-N 3.37Å; A351-T355 PolarHBondContact O-OG1 2.88Å; Y352-T355 PolarHBondContact O-N 3.01Å; Y352-T355 PolarHBondContact O-OG1 2.8Å; T355-A357 VanDerWaalsContact C-N 3.32Å; T355-A357 PolarHBondContact O-N 3.44Å; T355-A358 WeakPolarHBondContact O-CB 3.33Å; T355-A358 PolarHBondContact O-N 3.19Å; T355-I359 PolarHBondContact O-N 3.3Å; T355-I359 VanDerWaalsContact O-N 3.14Å; T355-L367 HydrophobicContact CG2-CD2 3.8Å; T355-L369 HydrophobicContact CG2-CD1 4.37Å; T355-I404 HydrophobicContact CG2-CG2 3.92Å; T355-Q407 PolarHBondContact OG1-OE1 2.96Å; T355-Q407 VanDerWaalsContact OG1-OE1 3.08Å; T355-L408 HydrophobicContact CG2-CB 4.03Å; T355-L408 HydrophobicContact CG2-CD1 4.22Å
356W97.7Very high97.2Very high33 Ų3315.9 Ų15.913%0.1258%0.076CC..Hα-helixtrans-58.7-45171.2-173.194.9000111.3Q322 I325 D326 Y352 P353 A358 I359 H360 Q407Q322-W356 HydrophobicContact CB-CD2 4.04Å; Q322-W356 HydrophobicContact CB-CG 4.36Å; Q322-W356 HydrophobicContact CB-CZ2 4.18Å; Q322-W356 VanDerWaalsContact CD-NE1 3.33Å; Q322-W356 HydrophobicContact CG-CB 4.47Å; Q322-W356 VanDerWaalsContact CG-CD1 3.48Å; Q322-W356 HydrophobicContact CG-CD2 3.93Å; Q322-W356 HydrophobicContact CG-CG 3.72Å; I325-W356 HydrophobicContact CG2-CE3 3.7Å; I325-W356 HydrophobicContact CG2-CZ3 4.16Å; D326-W356 HydrophobicContact CB-CH2 3.89Å; D326-W356 HydrophobicContact CB-CZ3 3.77Å; Y352-W356 PolarHBondContact O-N 2.98Å; Y352-W356 VanDerWaalsContact O-N 3.12Å; P353-W356 PolarHBondContact O-N 2.77Å; W356-A358 VanDerWaalsContact C-N 3.35Å; W356-A358 PolarHBondContact O-N 3.35Å; W356-I359 WeakPolarHBondContact O-CG1 3.31Å; W356-I359 PolarHBondContact O-N 3.36Å; W356-H360 AromaticContact CD1-CE1 3.77Å; W356-H360 AromaticContact CD2-CE1 3.71Å; W356-H360 AromaticContact CD2-ND1 3.4Å; W356-H360 AromaticContact CE2-CE1 3.17Å; W356-H360 AromaticContact CE2-ND1 3.33Å; W356-H360 VanDerWaalsContact CE2-ND1 3.33Å; W356-H360 AromaticContact CE2-NE2 3.76Å; W356-H360 HydrophobicContact CE3-CB 4.49Å; W356-H360 AromaticContact CE3-ND1 3.75Å; W356-H360 AromaticContact CG-ND1 3.9Å; W356-H360 HydrophobicContact CH2-CB 4.36Å; W356-H360 AromaticContact CH2-CD2 3.95Å; W356-H360 AromaticContact CH2-CG 3.82Å; W356-H360 AromaticContact CH2-ND1 3.92Å; W356-H360 AromaticContact CZ2-CD2 3.79Å; W356-H360 AromaticContact CZ2-CE1 3.45Å; W356-H360 VanDerWaalsContact CZ2-CE1 3.45Å; W356-H360 WeakPolarHBondContact CZ2-CE1 3.32Å; W356-H360 AromaticContact CZ2-CG 3.87Å; W356-H360 AromaticContact CZ2-ND1 3.62Å; W356-H360 AromaticContact CZ2-NE2 3.54Å; W356-H360 HydrophobicContact CZ3-CB 4.17Å; W356-H360 AromaticContact CZ3-CG 3.97Å; W356-H360 AromaticContact CZ3-ND1 3.98Å; W356-H360 AromaticContact NE1-CE1 3.24Å; W356-H360 PolarHBondContact NE1-CE1 3.05Å; W356-H360 AromaticContact NE1-ND1 3.77Å; W356-H360 PolarHBondContact O-N 2.85Å; W356-H360 PolarHBondContact O-ND1 3.08Å; W356-Q407 VanDerWaalsContact CA-OE1 3.25Å; W356-Q407 VanDerWaalsContact CB-OE1 3.3Å
357A97.4Very high97.2Very high0 Ų015.9 Ų15.90%08%0.076CC..Hα-helixtrans-65.4-39.1177.200000111.9I325 M329 I344 P353 A354 T355 I359 H360 Y361I325-A357 HydrophobicContact CG1-CB 3.57Å; I325-A357 HydrophobicContact CG2-CB 4.29Å; M329-A357 HydrophobicContact CG-CB 4.28Å; I344-A357 HydrophobicContact CD1-CB 3.58Å; P353-A357 WeakPolarHBondContact O-CB 3.45Å; P353-A357 PolarHBondContact O-N 3.32Å; A354-A357 PolarHBondContact O-N 2.99Å; T355-A357 VanDerWaalsContact C-N 3.32Å; T355-A357 PolarHBondContact O-N 3.44Å; A357-I359 VanDerWaalsContact C-N 3.33Å; A357-I359 PolarHBondContact O-N 3.49Å; A357-H360 PolarHBondContact O-N 3.06Å; A357-H360 VanDerWaalsContact O-N 3.15Å; A357-Y361 WeakPolarHBondContact O-CB 3.32Å; A357-Y361 WeakPolarHBondContact O-CD2 3.29Å; A357-Y361 PolarHBondContact O-N 3.17Å
358A96.6Very high97.2Very high0 Ų014.3 Ų14.30%07%0.07CC..Hα-helixtrans-59.9-40.8178.500000112.5A354 T355 W356 H360 Y361 P362 I364 L367 Y411A354-A358 WeakPolarHBondContact O-CB 3.49Å; A354-A358 PolarHBondContact O-N 2.95Å; T355-A358 WeakPolarHBondContact O-CB 3.33Å; T355-A358 PolarHBondContact O-N 3.19Å; W356-A358 VanDerWaalsContact C-N 3.35Å; W356-A358 PolarHBondContact O-N 3.35Å; A358-H360 VanDerWaalsContact C-N 3.35Å; A358-H360 PolarHBondContact O-N 3.47Å; A358-Y361 CarbonylContact O-C 3.49Å; A358-P362 VanDerWaalsContact O-CA 3.25Å; A358-P362 WeakPolarHBondContact O-CA 3.2Å; A358-I364 HydrophobicContact CB-CD1 3.79Å; A358-L367 HydrophobicContact CB-CD2 4.26Å; A358-Y411 HydrophobicContact CB-CD1 4Å; A358-Y411 HydrophobicContact CB-CD2 3.68Å; A358-Y411 HydrophobicContact CB-CE1 4.28Å; A358-Y411 HydrophobicContact CB-CE2 3.99Å; A358-Y411 HydrophobicContact CB-CG 3.68Å; A358-Y411 WeakPolarHBondContact O-CD2 3.47Å
359I94.6Very high97.2Very high25 Ų2514 Ų1413%0.1287%0.069CC..Hα-helixtrans-73.1-25.4177.262.4169.9000113.2T355 W356 A357 Q407 C410T355-I359 PolarHBondContact O-N 3.3Å; T355-I359 VanDerWaalsContact O-N 3.14Å; W356-I359 WeakPolarHBondContact O-CG1 3.31Å; W356-I359 PolarHBondContact O-N 3.36Å; A357-I359 VanDerWaalsContact C-N 3.33Å; A357-I359 PolarHBondContact O-N 3.49Å; I359-Q407 WeakPolarHBondContact CG2-O 3.31Å; I359-C410 HydrophobicContact CG2-CB 3.63Å
360H92.9Very high97.2Very high36 Ų3613.9 Ų13.917%0.1677%0.068CC..Hα-helixtrans-91.8-24.2-179.7-71.284.9000113.5A153 W356 A357 A358 P362A153-H360 WeakPolarHBondContact CB-CD2 3.4Å; A153-H360 VanDerWaalsContact CB-NE2 3.28Å; A153-H360 WeakPolarHBondContact CB-NE2 3.47Å; W356-H360 AromaticContact CD1-CE1 3.77Å; W356-H360 AromaticContact CD2-CE1 3.71Å; W356-H360 AromaticContact CD2-ND1 3.4Å; W356-H360 AromaticContact CE2-CE1 3.17Å; W356-H360 AromaticContact CE2-ND1 3.33Å; W356-H360 VanDerWaalsContact CE2-ND1 3.33Å; W356-H360 AromaticContact CE2-NE2 3.76Å; W356-H360 HydrophobicContact CE3-CB 4.49Å; W356-H360 AromaticContact CE3-ND1 3.75Å; W356-H360 AromaticContact CG-ND1 3.9Å; W356-H360 HydrophobicContact CH2-CB 4.36Å; W356-H360 AromaticContact CH2-CD2 3.95Å; W356-H360 AromaticContact CH2-CG 3.82Å; W356-H360 AromaticContact CH2-ND1 3.92Å; W356-H360 AromaticContact CZ2-CD2 3.79Å; W356-H360 AromaticContact CZ2-CE1 3.45Å; W356-H360 VanDerWaalsContact CZ2-CE1 3.45Å; W356-H360 WeakPolarHBondContact CZ2-CE1 3.32Å; W356-H360 AromaticContact CZ2-CG 3.87Å; W356-H360 AromaticContact CZ2-ND1 3.62Å; W356-H360 AromaticContact CZ2-NE2 3.54Å; W356-H360 HydrophobicContact CZ3-CB 4.17Å; W356-H360 AromaticContact CZ3-CG 3.97Å; W356-H360 AromaticContact CZ3-ND1 3.98Å; W356-H360 AromaticContact NE1-CE1 3.24Å; W356-H360 PolarHBondContact NE1-CE1 3.05Å; W356-H360 AromaticContact NE1-ND1 3.77Å; W356-H360 PolarHBondContact O-N 2.85Å; W356-H360 PolarHBondContact O-ND1 3.08Å; A357-H360 PolarHBondContact O-N 3.06Å; A357-H360 VanDerWaalsContact O-N 3.15Å; A358-H360 VanDerWaalsContact C-N 3.35Å; A358-H360 PolarHBondContact O-N 3.47Å; H360-P362 WeakPolarHBondContact O-CD 3.44Å
361Y94.5Very high97.2Very high3 Ų313.9 Ų13.91%0.0127%0.068CC..SBendtrans-122.863.5176.2-61.6-88.3000109.3F151 D326 M329 Q330 L333 E339 A357 A358 N363 I364F151-Y361 HydrophobicContact CD1-CE1 4.47Å; D326-Y361 PolarHBondContact OD1-OH 3.39Å; M329-Y361 HydrophobicContact CB-CD1 4.38Å; M329-Y361 HydrophobicContact CB-CD2 3.96Å; M329-Y361 HydrophobicContact CB-CE1 3.97Å; M329-Y361 HydrophobicContact CB-CE2 3.52Å; M329-Y361 HydrophobicContact CB-CG 4.38Å; M329-Y361 HydrophobicContact CE-CD1 4.27Å; M329-Y361 HydrophobicContact CE-CD2 4.19Å; M329-Y361 HydrophobicContact CE-CG 3.87Å; M329-Y361 HydrophobicContact CG-CD2 3.9Å; M329-Y361 HydrophobicContact CG-CE2 3.85Å; M329-Y361 HydrophobicContact CG-CG 4.46Å; Q330-Y361 WeakPolarHBondContact CG-OH 3.47Å; L333-Y361 HydrophobicContact CD1-CD1 4.15Å; L333-Y361 HydrophobicContact CD1-CE1 3.79Å; E339-Y361 HydrophobicContact CG-CD1 4.28Å; A357-Y361 WeakPolarHBondContact O-CB 3.32Å; A357-Y361 WeakPolarHBondContact O-CD2 3.29Å; A357-Y361 PolarHBondContact O-N 3.17Å; A358-Y361 CarbonylContact O-C 3.49Å; Y361-N363 PolarHBondContact O-N 3.17Å; Y361-I364 WeakPolarHBondContact O-CG2 3.26Å; Y361-I364 PolarHBondContact O-N 3.46Å
362P93.6Very high97.2Very high27 Ų2713.9 Ų13.918%0.1757%0.068CC..THydrogen-bonded Turntrans-68-10.3-165.828.2-37.4000114.7I163 A358 H360 I364I163-P362 HydrophobicContact CD1-CB 4.04Å; A358-P362 VanDerWaalsContact O-CA 3.25Å; A358-P362 WeakPolarHBondContact O-CA 3.2Å; H360-P362 WeakPolarHBondContact O-CD 3.44Å; P362-I364 VanDerWaalsContact C-N 3.31Å
363N94.3Very high97.2Very high88 Ų8813.8 Ų13.847%0.4717%0.068SC..THydrogen-bonded Turntrans-91.911.7175.8-43.7-73.7000112.6E339 E340 Y361E339-N363 CarbonylContact C-O 3.59Å; E339-N363 HydrophobicContact CB-CB 3.92Å; E339-N363 WeakPolarHBondContact OE2-CB 3.22Å; E339-N363 PolarHBondContact OE2-N 2.96Å; E339-N363 PolarHBondContact OE2-ND2 3.03Å; E340-N363 WeakPolarHBondContact CA-O 3.34Å; E340-N363 PolarHBondContact N-O 3.15Å; E340-N363 VanDerWaalsContact N-O 3.08Å; Y361-N363 PolarHBondContact O-N 3.17Å
364I97.3Very high97.2Very high5 Ų514.8 Ų14.83%0.0267%0.073CC..  trans-54.4147.6170.759.6171.3000110.4M329 E339 I342 I344 A358 Y361 P362 G366 Y411M329-I364 HydrophobicContact CE-CG2 3.75Å; E339-I364 VanDerWaalsContact O-CA 3.26Å; E339-I364 WeakPolarHBondContact O-CA 3.3Å; I342-I364 HydrophobicContact CB-CG2 4.28Å; I342-I364 HydrophobicContact CG2-CG2 4.27Å; I342-I364 WeakPolarHBondContact O-CB 3.43Å; I344-I364 HydrophobicContact CD1-CD1 3.94Å; I344-I364 HydrophobicContact CG1-CD1 4.12Å; A358-I364 HydrophobicContact CB-CD1 3.79Å; Y361-I364 WeakPolarHBondContact O-CG2 3.26Å; Y361-I364 PolarHBondContact O-N 3.46Å; P362-I364 VanDerWaalsContact C-N 3.31Å; I364-G366 PolarHBondContact O-N 3.17Å; I364-Y411 HydrophobicContact CD1-CE2 4.36Å; I364-Y411 HydrophobicContact CG1-CE2 3.98Å; I364-Y411 WeakPolarHBondContact CG1-OH 3.43Å
365K98Very high97.2Very high66 Ų6615.8 Ų15.829%0.2878%0.078SC..SBendtrans-59.7-35.7179-171169.7-176.7173.20112.1T274 E339 E340 I342 V343 P414 L540T274-K365 HydrophobicContact CG2-CD 4.18Å; T274-K365 PolarHBondContact OG1-NZ 3.09Å; E339-K365 PolarHBondContact O-N 3.48Å; E340-K365 WeakPolarHBondContact O-CB 3.44Å; I342-K365 WeakPolarHBondContact O-CA 3.21Å; I342-K365 VanDerWaalsContact O-CB 3.27Å; I342-K365 WeakPolarHBondContact O-CB 3.29Å; I342-K365 PolarHBondContact O-N 3.14Å; V343-K365 HydrophobicContact CG2-CB 3.79Å; V343-K365 HydrophobicContact CG2-CD 4.04Å; V343-K365 HydrophobicContact CG2-CG 4.08Å; K365-P414 WeakPolarHBondContact O-CG 3.43Å; K365-L540 HydrophobicContact CD-CD1 4.3Å; K365-L540 VanDerWaalsContact NZ-CD1 3.31Å
366G98.3Very high97.1Very high0 Ų016.5 Ų16.50%08%0.082CC..EExtended strand (participates in β ladder)trans174.6165.9177.100000114V343 I344 I364 P414V343-G366 WeakPolarHBondContact CA-O 3.46Å; I344-G366 PolarHBondContact N-O 3.31Å; I364-G366 PolarHBondContact O-N 3.17Å; G366-P414 CarbonylContact C-O 3.59Å; G366-P414 VanDerWaalsContact CA-O 3.29Å; G366-P414 WeakPolarHBondContact CA-O 3.15Å
367L98.6Very high97.1Very high0 Ų015.7 Ų15.70%08%0.08CC..EExtended strand (participates in β ladder)trans-115.6122176.4-174.865.9000109.6I344 A354 T355 A358 L369 L408 Y411 P414 V415 T416 P541I344-L367 HydrophobicContact CB-CD1 3.9Å; I344-L367 HydrophobicContact CG2-CD1 4.29Å; A354-L367 HydrophobicContact CB-CD1 3.79Å; T355-L367 HydrophobicContact CG2-CD2 3.8Å; A358-L367 HydrophobicContact CB-CD2 4.26Å; L367-L369 HydrophobicContact CD1-CD2 3.78Å; L367-L369 HydrophobicContact CD2-CD1 3.95Å; L367-L369 HydrophobicContact CD2-CD2 3.82Å; L367-L369 HydrophobicContact CD2-CG 3.96Å; L367-L369 HydrophobicContact CG-CD1 4.36Å; L367-L369 HydrophobicContact CG-CD2 3.6Å; L367-L369 HydrophobicContact CG-CG 3.82Å; L367-L408 HydrophobicContact CD2-CD1 3.73Å; L367-Y411 HydrophobicContact CB-CE1 4Å; L367-Y411 HydrophobicContact CD2-CD1 4.47Å; L367-P414 PolarHBondContact N-O 2.92Å; L367-V415 HydrophobicContact CB-CG2 4.45Å; L367-V415 CarbonylContact O-C 3.59Å; L367-V415 WeakPolarHBondContact O-CA 3.37Å; L367-T416 PolarHBondContact O-N 3.09Å; L367-P541 WeakPolarHBondContact O-CG 3.43Å
368F98.8Very high97.2Very high0 Ų017.4 Ų17.40%09%0.091CC..EExtended strand (participates in β ladder)trans-111.6108.3176.9-167.1-74.1000108.9I344 L345 A346 D370 T416 V418 L533 V537 F538 K539 P541I344-F368 PolarHBondContact O-N 3.35Å; L345-F368 WeakPolarHBondContact CA-O 3.44Å; L345-F368 HydrophobicContact CD1-CB 4.18Å; L345-F368 HydrophobicContact CD1-CD1 3.3Å; L345-F368 HydrophobicContact CD1-CE1 3.97Å; L345-F368 HydrophobicContact CD1-CG 4.04Å; A346-F368 PolarHBondContact N-O 3.26Å; F368-D370 HydrophobicContact CE1-CB 4.42Å; F368-T416 CarbonylContact C-O 3.56Å; F368-T416 WeakPolarHBondContact CA-O 3.49Å; F368-T416 HydrophobicContact CD2-CG2 3.92Å; F368-T416 HydrophobicContact CE2-CG2 3.72Å; F368-T416 HydrophobicContact CZ-CG2 4.42Å; F368-V418 HydrophobicContact CD1-CG2 4.39Å; F368-V418 HydrophobicContact CE1-CG2 3.35Å; F368-V418 HydrophobicContact CE2-CG2 4.36Å; F368-V418 HydrophobicContact CZ-CG2 3.33Å; F368-L533 HydrophobicContact CE1-CD2 3.84Å; F368-L533 HydrophobicContact CZ-CD2 4.35Å; F368-V537 HydrophobicContact CZ-CG1 4.5Å; F368-F538 HydrophobicContact CB-CE2 4.25Å; F368-F538 HydrophobicContact CD1-CD2 4.17Å; F368-F538 HydrophobicContact CD1-CE2 4.45Å; F368-F538 AromaticContact CD2-CD2 3.98Å; F368-F538 HydrophobicContact CD2-CD2 3.98Å; F368-F538 HydrophobicContact CD2-CE2 4.13Å; F368-F538 HydrophobicContact CE1-CD2 4.18Å; F368-F538 HydrophobicContact CE2-CD2 4.02Å; F368-F538 HydrophobicContact CG-CD2 4.04Å; F368-F538 HydrophobicContact CG-CE2 4.02Å; F368-F538 HydrophobicContact CZ-CD2 4.1Å; F368-K539 WeakPolarHBondContact CD2-O 3.46Å; F368-K539 VanDerWaalsContact CE2-O 3.32Å; F368-K539 WeakPolarHBondContact CE2-O 3.49Å; F368-P541 HydrophobicContact CB-CG 4.19Å; F368-P541 HydrophobicContact CD2-CG 4.42Å
369L98.8Very high97.2Very high0 Ų018.2 Ų18.20%010%0.095CC..EExtended strand (participates in β ladder)trans-106.6111.8-174.1-61.2-175.8000110.3A346 A351 T355 L367 T372 L408 T416 I417 V418 L445A346-L369 HydrophobicContact CB-CD2 3.95Å; A351-L369 HydrophobicContact CB-CD2 3.83Å; T355-L369 HydrophobicContact CG2-CD1 4.37Å; L367-L369 HydrophobicContact CD1-CD2 3.78Å; L367-L369 HydrophobicContact CD2-CD1 3.95Å; L367-L369 HydrophobicContact CD2-CD2 3.82Å; L367-L369 HydrophobicContact CD2-CG 3.96Å; L367-L369 HydrophobicContact CG-CD1 4.36Å; L367-L369 HydrophobicContact CG-CD2 3.6Å; L367-L369 HydrophobicContact CG-CG 3.82Å; L369-T372 HydrophobicContact CB-CG2 3.88Å; L369-T372 HydrophobicContact CD1-CG2 4.34Å; L369-L408 HydrophobicContact CD1-CD1 4.15Å; L369-L408 HydrophobicContact CD1-CD2 3.96Å; L369-T416 PolarHBondContact N-O 3.35Å; L369-I417 HydrophobicContact CB-CG1 4.43Å; L369-I417 HydrophobicContact CD1-CG1 4.49Å; L369-I417 CarbonylContact O-C 3.5Å; L369-I417 WeakPolarHBondContact O-CA 3.48Å; L369-V418 PolarHBondContact O-N 2.87Å; L369-L445 HydrophobicContact CD1-CD2 4.36Å
370D98.6Very high97.2Very high1 Ų117.5 Ų17.51%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-106.1125.1179.9176.922000111.7A346 W347 S348 F368 T372 V418 R420A346-D370 PolarHBondContact O-N 3.49Å; W347-D370 CarbonylContact C-O 3.43Å; W347-D370 VanDerWaalsContact CA-O 3.32Å; W347-D370 WeakPolarHBondContact CA-O 3.24Å; S348-D370 PolarHBondContact N-O 3.1Å; F368-D370 HydrophobicContact CE1-CB 4.42Å; D370-T372 PolarHBondContact O-N 3.43Å; D370-V418 HydrophobicContact CB-CB 4.27Å; D370-R420 IonicContact OD1-CZ 3.35Å; D370-R420 IonicContact OD1-NE 3.3Å; D370-R420 PolarHBondContact OD1-NE 2.98Å; D370-R420 IonicContact OD1-NH2 2.66Å; D370-R420 PolarHBondContact OD1-NH2 3.34Å; D370-R420 IonicContact OD2-CZ 3.96Å; D370-R420 IonicContact OD2-NE 2.67Å; D370-R420 IonicContact OD2-NH2 3.44Å; D370-R420 PolarHBondContact OD2-NH2 3.12Å
371A98.2Very high97.4Very high0 Ų018.1 Ų18.10%010%0.098CC..SBendtrans47.255.4172.800000112.7S348 V418 R420 L426 H529S348-A371 WeakPolarHBondContact CA-O 3.35Å; S348-A371 PolarHBondContact N-O 2.91Å; A371-V418 PolarHBondContact N-O 3.18Å; A371-R420 HydrophobicContact CB-CB 4.37Å; A371-R420 VanDerWaalsContact CB-CD 3.5Å; A371-R420 HydrophobicContact CB-CG 3.81Å; A371-L426 VanDerWaalsContact C-CD1 3.46Å; A371-L426 WeakPolarHBondContact O-CD1 3.49Å; A371-H529 PolarHBondContact O-CE1 3.42Å
372T98.6Very high97.4Very high0 Ų021.2 Ų21.20%012%0.117CC..  trans-118-178.1-178.9-165.70000111.9S348 A351 L369 D370 L426 T442 L445S348-T372 VanDerWaalsContact O-CB 3.32Å; S348-T372 WeakPolarHBondContact O-CB 3.28Å; S348-T372 PolarHBondContact O-OG1 3.16Å; A351-T372 HydrophobicContact CB-CG2 3.77Å; A351-T372 WeakPolarHBondContact CB-OG1 3.45Å; L369-T372 HydrophobicContact CB-CG2 3.88Å; L369-T372 HydrophobicContact CD1-CG2 4.34Å; D370-T372 PolarHBondContact O-N 3.43Å; T372-L426 WeakPolarHBondContact O-CD1 3.48Å; T372-T442 VanDerWaalsContact O-CA 3.31Å; T372-T442 WeakPolarHBondContact O-CA 3.39Å; T372-T442 WeakPolarHBondContact O-CB 3.3Å; T372-T442 PolarHBondContact O-N 3.27Å; T372-T442 PolarHBondContact O-OG1 3.03Å; T372-L445 HydrophobicContact CG2-CD2 3.5Å
373F98.7Very high97.3Very high6 Ų625.4 Ų25.43%0.02614%0.137CC..  trans-131.6169.3-17057.9-87.9000111.3I349 D375 L376 L379 L402 I404 L426 R441I349-F373 HydrophobicContact CB-CE1 4.3Å; I349-F373 HydrophobicContact CG1-CE1 4.39Å; I349-F373 HydrophobicContact CG1-CZ 4.23Å; F373-D375 WeakPolarHBondContact CD2-O 3.32Å; F373-L376 HydrophobicContact CE2-CB 4.14Å; F373-L376 HydrophobicContact CE2-CD1 4.46Å; F373-L376 HydrophobicContact CZ-CD1 4.42Å; F373-L379 HydrophobicContact CB-CD1 3.93Å; F373-L379 HydrophobicContact CD1-CD1 3.97Å; F373-L379 HydrophobicContact CD2-CD1 3.96Å; F373-L379 HydrophobicContact CE1-CD1 4.47Å; F373-L379 HydrophobicContact CE2-CD1 4.46Å; F373-L379 HydrophobicContact CG-CD1 3.69Å; F373-L402 HydrophobicContact CE2-CB 4.32Å; F373-L402 HydrophobicContact CZ-CB 4.47Å; F373-L402 HydrophobicContact CZ-CD1 4.3Å; F373-I404 HydrophobicContact CD1-CD1 4.17Å; F373-I404 HydrophobicContact CD2-CD1 3.83Å; F373-I404 HydrophobicContact CE1-CD1 3.93Å; F373-I404 HydrophobicContact CE2-CD1 3.57Å; F373-I404 HydrophobicContact CG-CD1 4.13Å; F373-I404 HydrophobicContact CZ-CD1 3.62Å; F373-I404 VanDerWaalsContact O-CB 3.29Å; F373-I404 WeakPolarHBondContact O-CB 3.32Å; F373-I404 WeakPolarHBondContact O-CD1 3.34Å; F373-I404 WeakPolarHBondContact O-CG2 3.3Å; F373-L426 HydrophobicContact CB-CD1 4.4Å; F373-L426 HydrophobicContact CB-CD2 4.48Å; F373-L426 HydrophobicContact CD1-CD1 4.4Å; F373-L426 HydrophobicContact CD1-CD2 3.89Å; F373-R441 HydrophobicContact CB-CB 3.52Å; F373-R441 HydrophobicContact CB-CG 4.4Å
374D98.5Very high97.1Very high21 Ų2124.4 Ų24.411%0.11213%0.129CC..SBendtrans-84.8-47.6179.363.1-47.4000113I404 A405 R441 D444 L445D374-I404 PolarHBondContact O-N 3.37Å; D374-A405 HydrophobicContact CB-CB 3.76Å; D374-A405 PolarHBondContact O-N 2.76Å; D374-R441 IonicContact OD1-CZ 3.88Å; D374-R441 VanDerWaalsContact OD1-CZ 3.3Å; D374-R441 IonicContact OD1-NE 3.38Å; D374-R441 PolarHBondContact OD1-NE 3.37Å; D374-R441 IonicContact OD1-NH2 3.57Å; D374-R441 PolarHBondContact OD1-NH2 2.93Å; D374-R441 VanDerWaalsContact OD1-NH2 3.08Å; D374-R441 IonicContact OD2-CZ 3.5Å; D374-R441 IonicContact OD2-NE 2.71Å; D374-R441 IonicContact OD2-NH2 2.84Å; D374-R441 PolarHBondContact OD2-NH2 3.04Å; D374-D444 HydrophobicContact CB-CB 4.09Å; D374-L445 HydrophobicContact CB-CB 4.05Å; D374-L445 HydrophobicContact CB-CD1 4.5Å
375D98.2Very high96.9Very high21 Ų2128.6 Ų28.611%0.11216%0.157CC..  trans-148.4143.4-174.4-171.5-93000110.9F373 L377 P378 R397F373-D375 WeakPolarHBondContact CD2-O 3.32Å; D375-L377 WeakPolarHBondContact OD1-CB 3.47Å; D375-L377 PolarHBondContact OD1-N 2.74Å; D375-P378 WeakPolarHBondContact OD1-CD 3.4Å; D375-R397 VanDerWaalsContact CG-NH1 3.26Å; D375-R397 IonicContact OD1-CZ 2.68Å; D375-R397 IonicContact OD1-NH1 2.81Å; D375-R397 PolarHBondContact OD1-NH1 2.84Å; D375-R397 IonicContact OD1-NH2 3.5Å; D375-R397 PolarHBondContact OD1-NH2 2.85Å; D375-R397 VanDerWaalsContact OD1-NH2 3.12Å; D375-R397 IonicContact OD2-CZ 3.52Å; D375-R397 IonicContact OD2-NH1 3.98Å; D375-R397 PolarHBondContact OD2-NH1 3.45Å; D375-R397 IonicContact OD2-NH2 3.41Å
376L97.8Very high96.6Very high15 Ų1530.3 Ų30.38%0.07918%0.176CC..Hα-helixtrans-71.6-32.3-177.9-178.163.7000113.3L214 F373 L379 A380 V396 M400 L402L214-L376 HydrophobicContact CD1-CD1 3.61Å; L214-L376 HydrophobicContact CD1-CD2 3.65Å; L214-L376 HydrophobicContact CD1-CG 4.31Å; L214-L376 HydrophobicContact CD2-CD2 3.94Å; L214-L376 HydrophobicContact CG-CD2 4.45Å; F373-L376 HydrophobicContact CE2-CB 4.14Å; F373-L376 HydrophobicContact CE2-CD1 4.46Å; F373-L376 HydrophobicContact CZ-CD1 4.42Å; L376-L379 WeakPolarHBondContact O-CB 3.34Å; L376-L379 PolarHBondContact O-N 3.2Å; L376-L379 VanDerWaalsContact O-N 3.17Å; L376-A380 PolarHBondContact O-N 3.01Å; L376-V396 HydrophobicContact CB-CG1 4.29Å; L376-V396 HydrophobicContact CD2-CG1 4.21Å; L376-V396 HydrophobicContact CG-CG1 4.35Å; L376-M400 HydrophobicContact CD2-CB 4.1Å; L376-M400 WeakPolarHBondContact CD2-O 3.39Å; L376-L402 HydrophobicContact CB-CB 4.09Å; L376-L402 HydrophobicContact CB-CG 4.47Å; L376-L402 HydrophobicContact CD2-CD1 4.21Å; L376-L402 HydrophobicContact CD2-CG 4.16Å; L376-L402 PolarHBondContact N-O 3.42Å
377L97.9Very high96.4Very high15 Ų1533.9 Ų33.98%0.07921%0.213CC..Hα-helixtrans-59.1-48.4-168.5175.663.6000113D375 L379 A380 L381 E393 V396D375-L377 WeakPolarHBondContact OD1-CB 3.47Å; D375-L377 PolarHBondContact OD1-N 2.74Å; L377-L379 PolarHBondContact O-N 3.09Å; L377-A380 PolarHBondContact O-N 3.49Å; L377-A380 VanDerWaalsContact O-N 3.11Å; L377-L381 HydrophobicContact CD1-CD1 4.01Å; L377-L381 HydrophobicContact CD1-CD2 4.16Å; L377-L381 HydrophobicContact CD1-CG 3.83Å; L377-L381 HydrophobicContact CG-CD1 3.97Å; L377-L381 HydrophobicContact CG-CG 4.26Å; L377-L381 WeakPolarHBondContact O-CG 3.24Å; L377-L381 PolarHBondContact O-N 3.48Å; L377-E393 HydrophobicContact CD1-CB 3.92Å; L377-E393 HydrophobicContact CD1-CG 4.16Å; L377-E393 HydrophobicContact CD2-CB 4.44Å; L377-E393 HydrophobicContact CD2-CG 3.82Å; L377-V396 HydrophobicContact CB-CG1 4.13Å; L377-V396 HydrophobicContact CD1-CB 4.26Å; L377-V396 HydrophobicContact CD1-CG1 4.44Å; L377-V396 HydrophobicContact CD1-CG2 4.43Å
378P97.5Very high96.1Very high36 Ų3637.6 Ų37.623%0.23423%0.233CC..Hα-helixtrans-55.9-39.4177.9-2736000113D375 T382 T428D375-P378 WeakPolarHBondContact OD1-CD 3.4Å; P378-T382 WeakPolarHBondContact O-CG2 3.29Å; P378-T428 HydrophobicContact CB-CG2 4.33Å
379L97.2Very high96Very high17 Ų1740.2 Ų40.29%0.08925%0.247CC..Hα-helixtrans-67.7-46.3176.8-65.1168.4000111.1F373 L376 L377 L381 T382 L426 T428 R441F373-L379 HydrophobicContact CB-CD1 3.93Å; F373-L379 HydrophobicContact CD1-CD1 3.97Å; F373-L379 HydrophobicContact CD2-CD1 3.96Å; F373-L379 HydrophobicContact CE1-CD1 4.47Å; F373-L379 HydrophobicContact CE2-CD1 4.46Å; F373-L379 HydrophobicContact CG-CD1 3.69Å; L376-L379 WeakPolarHBondContact O-CB 3.34Å; L376-L379 PolarHBondContact O-N 3.2Å; L376-L379 VanDerWaalsContact O-N 3.17Å; L377-L379 PolarHBondContact O-N 3.09Å; L379-L381 VanDerWaalsContact C-N 3.32Å; L379-L381 PolarHBondContact O-N 3.33Å; L379-T382 PolarHBondContact O-N 3.42Å; L379-T382 VanDerWaalsContact O-N 3.14Å; L379-T382 PolarHBondContact O-OG1 2.83Å; L379-L426 HydrophobicContact CD1-CD2 3.83Å; L379-L426 HydrophobicContact CD2-CD2 4.43Å; L379-T428 HydrophobicContact CD2-CG2 4.15Å; L379-R441 HydrophobicContact CD1-CG 4.26Å; L379-R441 HydrophobicContact CD2-CG 3.55Å; L379-R441 HydrophobicContact CG-CG 3.78Å
380A95.8Very high95.8Very high11 Ų1146.5 Ų46.59%0.09128%0.281CS..Hα-helixtrans-60-42.1-179.400000111.9L376 L377 T382 L383 F384 V392 V396L376-A380 PolarHBondContact O-N 3.01Å; L377-A380 PolarHBondContact O-N 3.49Å; L377-A380 VanDerWaalsContact O-N 3.11Å; A380-T382 PolarHBondContact O-N 2.75Å; A380-L383 WeakPolarHBondContact O-CB 3.49Å; A380-L383 PolarHBondContact O-N 2.75Å; A380-F384 VanDerWaalsContact O-CD2 3.29Å; A380-F384 WeakPolarHBondContact O-CD2 3.18Å; A380-V392 HydrophobicContact CB-CG1 3.98Å; A380-V396 HydrophobicContact CB-CG2 3.75Å
381L96.3Very high95.6Very high49 Ų4947.9 Ų47.926%0.25729%0.288SS..Hα-helixtrans-61.8-25179.2-68.2173.8000113.3L377 L379 L383 N389 V392L377-L381 HydrophobicContact CD1-CD1 4.01Å; L377-L381 HydrophobicContact CD1-CD2 4.16Å; L377-L381 HydrophobicContact CD1-CG 3.83Å; L377-L381 HydrophobicContact CG-CD1 3.97Å; L377-L381 HydrophobicContact CG-CG 4.26Å; L377-L381 WeakPolarHBondContact O-CG 3.24Å; L377-L381 PolarHBondContact O-N 3.48Å; L379-L381 VanDerWaalsContact C-N 3.32Å; L379-L381 PolarHBondContact O-N 3.33Å; L381-L383 VanDerWaalsContact C-N 3.3Å; L381-L383 PolarHBondContact O-N 3Å; L381-N389 HydrophobicContact CD2-CB 3.92Å; L381-V392 HydrophobicContact CD2-CB 4.16Å; L381-V392 HydrophobicContact CD2-CG1 3.97Å
382T94.6Very high95.4Very high68 Ų6848.3 Ų48.342%0.41729%0.29SS..Hα-helixtrans-75.4-17.3175.870.50000114.2P378 L379 A380 T428P378-T382 WeakPolarHBondContact O-CG2 3.29Å; L379-T382 PolarHBondContact O-N 3.42Å; L379-T382 VanDerWaalsContact O-N 3.14Å; L379-T382 PolarHBondContact O-OG1 2.83Å; A380-T382 PolarHBondContact O-N 2.75Å; T382-T428 HydrophobicContact CG2-CG2 3.88Å
383L90.9Very high95.3Very high114 Ų11451.1 Ų51.160%0.59730%0.303SS*.Hα-helixtrans-88.8-17-176.4-61.8177.2000113.3M213 A380 L381M213-L383 HydrophobicContact CE-CB 4.38Å; M213-L383 HydrophobicContact CE-CD1 4.09Å; A380-L383 WeakPolarHBondContact O-CB 3.49Å; A380-L383 PolarHBondContact O-N 2.75Å; L381-L383 VanDerWaalsContact C-N 3.3Å; L381-L383 PolarHBondContact O-N 3Å
384F90.5Very high95.1Very high68 Ų6851.7 Ų51.730%0.29831%0.305SS..SBendtrans-118151.7-175-62.8-80.5000111.5M213 A380 L388 V392M213-F384 HydrophobicContact CE-CE1 4.45Å; M213-F384 HydrophobicContact CE-CE2 4.45Å; M213-F384 HydrophobicContact CE-CZ 3.89Å; M213-F384 HydrophobicContact SD-CE1 4.3Å; M213-F384 HydrophobicContact SD-CZ 3.81Å; A380-F384 VanDerWaalsContact O-CD2 3.29Å; A380-F384 WeakPolarHBondContact O-CD2 3.18Å; F384-L388 HydrophobicContact CB-CB 4.49Å; F384-V392 HydrophobicContact CB-CG2 3.87Å; F384-V392 HydrophobicContact CD1-CG2 4.43Å; F384-V392 HydrophobicContact CD2-CB 4.46Å; F384-V392 HydrophobicContact CD2-CG1 4.02Å; F384-V392 HydrophobicContact CD2-CG2 3.53Å; F384-V392 HydrophobicContact CE2-CG1 4.42Å; F384-V392 HydrophobicContact CE2-CG2 4.19Å; F384-V392 HydrophobicContact CG-CG2 3.68Å
385P92.7Very high95Very high93 Ų9351 Ų5160%0.60430%0.302SS*.  trans-56.8142.4170.6-23.833.5000111.7G387 L388P385-G387 PolarHBondContact O-N 2.84Å; P385-L388 WeakPolarHBondContact O-CB 3.38Å; P385-L388 PolarHBondContact O-N 3.3Å
386S92.8Very high94.9Very high101 Ų10150.1 Ų50.171%0.70630%0.297SS*.G310 helixtrans-56.5-27.1-175.355.60000114.8L388 N389S386-L388 PolarHBondContact O-N 2.67Å; S386-L388 VanDerWaalsContact O-N 3.16Å; S386-N389 WeakPolarHBondContact CA-OD1 3.37Å; S386-N389 WeakPolarHBondContact O-CB 3.28Å; S386-N389 PolarHBondContact O-N 2.82Å; S386-N389 PolarHBondContact O-OD1 3.27Å
387G93.3Very high94.7Very high75 Ų7551.1 Ų51.177%0.77330%0.3SS*.G310 helixtrans-65.7-9.217400000114.8P385P385-G387 PolarHBondContact O-N 2.84Å
388L93.4Very high94.5Very high79 Ų7954.1 Ų54.141%0.41432%0.316SS..G310 helixtrans-105.75.1176.5-59.8-178.2000113.1F384 P385 S386 D390 I391 V392F384-L388 HydrophobicContact CB-CB 4.49Å; P385-L388 WeakPolarHBondContact O-CB 3.38Å; P385-L388 PolarHBondContact O-N 3.3Å; S386-L388 PolarHBondContact O-N 2.67Å; S386-L388 VanDerWaalsContact O-N 3.16Å; L388-D390 PolarHBondContact O-N 2.71Å; L388-I391 HydrophobicContact CB-CG2 3.95Å; L388-I391 HydrophobicContact CD2-CG2 4.15Å; L388-I391 WeakPolarHBondContact O-CG2 3.47Å; L388-I391 PolarHBondContact O-N 3.15Å; L388-V392 HydrophobicContact CB-CG2 4.21Å; L388-V392 VanDerWaalsContact O-CG2 3.29Å; L388-V392 WeakPolarHBondContact O-CG2 3.48Å; L388-V392 PolarHBondContact O-N 2.91Å
389N95.1Very high94.4Very high55 Ų5555.4 Ų55.429%0.29432%0.317SS..Hα-helixtrans-53-50.3-174.3-76.22.7000112.7L381 S386 I391 V392 E393L381-N389 HydrophobicContact CD2-CB 3.92Å; S386-N389 WeakPolarHBondContact CA-OD1 3.37Å; S386-N389 WeakPolarHBondContact O-CB 3.28Å; S386-N389 PolarHBondContact O-N 2.82Å; S386-N389 PolarHBondContact O-OD1 3.27Å; N389-I391 VanDerWaalsContact C-N 3.31Å; N389-I391 PolarHBondContact O-N 3.08Å; N389-V392 PolarHBondContact O-N 2.81Å; N389-E393 WeakPolarHBondContact O-CB 3.48Å; N389-E393 PolarHBondContact O-N 2.72Å
390D94.3Very high94.3Very high132 Ų13255.1 Ų55.171%0.70632%0.315SS*.Hα-helixtrans-59.8-39.4-177.8-62-0.4000113L388 R394L388-D390 PolarHBondContact O-N 2.71Å; D390-R394 WeakPolarHBondContact O-CB 3.06Å; D390-R394 PolarHBondContact O-N 2.85Å
391I94.7Very high94.3Very high30 Ų3056.2 Ų56.215%0.15432%0.319CS..Hα-helixtrans-77.3-35.1179.8-167.668.5000111.2A198 V201 S202 L205 L388 N389 T395A198-I391 HydrophobicContact CB-CD1 4.36Å; A198-I391 WeakPolarHBondContact O-CD1 3.32Å; V201-I391 HydrophobicContact CB-CD1 3.96Å; V201-I391 HydrophobicContact CG1-CD1 3.75Å; V201-I391 HydrophobicContact CG1-CG1 3.8Å; S202-I391 WeakPolarHBondContact OG-CD1 3.31Å; L205-I391 HydrophobicContact CD1-CG1 3.66Å; L205-I391 HydrophobicContact CD1-CG2 4.39Å; L388-I391 HydrophobicContact CB-CG2 3.95Å; L388-I391 HydrophobicContact CD2-CG2 4.15Å; L388-I391 WeakPolarHBondContact O-CG2 3.47Å; L388-I391 PolarHBondContact O-N 3.15Å; N389-I391 VanDerWaalsContact C-N 3.31Å; N389-I391 PolarHBondContact O-N 3.08Å; I391-T395 VanDerWaalsContact O-CB 3.27Å; I391-T395 WeakPolarHBondContact O-CB 3.45Å; I391-T395 PolarHBondContact O-N 2.93Å; I391-T395 PolarHBondContact O-OG1 2.66Å
392V94.9Very high94.4Very high9 Ų954 Ų546%0.05531%0.308CS..Hα-helixtrans-63.7-47.9173.5171.70000109.7A380 L381 F384 L388 N389 T395 V396A380-V392 HydrophobicContact CB-CG1 3.98Å; L381-V392 HydrophobicContact CD2-CB 4.16Å; L381-V392 HydrophobicContact CD2-CG1 3.97Å; F384-V392 HydrophobicContact CB-CG2 3.87Å; F384-V392 HydrophobicContact CD1-CG2 4.43Å; F384-V392 HydrophobicContact CD2-CB 4.46Å; F384-V392 HydrophobicContact CD2-CG1 4.02Å; F384-V392 HydrophobicContact CD2-CG2 3.53Å; F384-V392 HydrophobicContact CE2-CG1 4.42Å; F384-V392 HydrophobicContact CE2-CG2 4.19Å; F384-V392 HydrophobicContact CG-CG2 3.68Å; L388-V392 HydrophobicContact CB-CG2 4.21Å; L388-V392 VanDerWaalsContact O-CG2 3.29Å; L388-V392 WeakPolarHBondContact O-CG2 3.48Å; L388-V392 PolarHBondContact O-N 2.91Å; N389-V392 PolarHBondContact O-N 2.81Å; V392-T395 PolarHBondContact O-N 3.38Å; V392-T395 VanDerWaalsContact O-N 3.14Å; V392-V396 HydrophobicContact CG1-CG2 4.31Å; V392-V396 WeakPolarHBondContact O-CG2 3.47Å; V392-V396 PolarHBondContact O-N 3.3Å
393E95.8Very high94.5Very high58 Ų5851.3 Ų51.327%0.27129%0.291SS..Hα-helixtrans-56.2-52.9176-180175.6164.100111.5L377 N389 T395 V396 R397L377-E393 HydrophobicContact CD1-CB 3.92Å; L377-E393 HydrophobicContact CD1-CG 4.16Å; L377-E393 HydrophobicContact CD2-CB 4.44Å; L377-E393 HydrophobicContact CD2-CG 3.82Å; N389-E393 WeakPolarHBondContact O-CB 3.48Å; N389-E393 PolarHBondContact O-N 2.72Å; E393-T395 VanDerWaalsContact C-N 3.26Å; E393-T395 PolarHBondContact O-N 2.93Å; E393-V396 PolarHBondContact O-N 2.76Å; E393-R397 HydrophobicContact CG-CG 4.27Å; E393-R397 WeakPolarHBondContact O-CB 3.4Å; E393-R397 WeakPolarHBondContact O-CG 3.42Å; E393-R397 PolarHBondContact O-N 3.4Å
394R94.8Very high94.9Very high18 Ų1845.9 Ų45.97%0.06826%0.262CS..Hα-helixtrans-56.3-42.5175.7-178.5-179-67.8-113.3-4.8112.2L192 S193 D199 S202 D390 N398L192-R394 HydrophobicContact CD1-CB 4.05Å; L192-R394 HydrophobicContact CD1-CG 4.13Å; S193-R394 PolarHBondContact O-NH1 2.77Å; S193-R394 PolarHBondContact O-NH2 3.05Å; D199-R394 VanDerWaalsContact CG-NH1 3.33Å; D199-R394 IonicContact OD1-CZ 3.22Å; D199-R394 IonicContact OD1-NH1 3.47Å; D199-R394 PolarHBondContact OD1-NH1 2.82Å; D199-R394 IonicContact OD2-NH1 3.19Å; S202-R394 WeakPolarHBondContact OG-CD 3.5Å; S202-R394 VanDerWaalsContact OG-CG 3.27Å; S202-R394 WeakPolarHBondContact OG-CG 3.45Å; D390-R394 WeakPolarHBondContact O-CB 3.06Å; D390-R394 PolarHBondContact O-N 2.85Å; R394-N398 WeakPolarHBondContact CG-ND2 3.24Å; R394-N398 WeakPolarHBondContact O-CB 3.44Å; R394-N398 VanDerWaalsContact O-CG 3.25Å; R394-N398 PolarHBondContact O-N 2.98Å
395T95.7Very high95.2Very high6 Ų643 Ų434%0.03725%0.252CS..Hα-helixtrans-66.8-44.9-178.4-55.70000111.7S202 L205 A206 I391 V392 E393 Y399 M400S202-T395 VanDerWaalsContact CA-OG1 3.3Å; S202-T395 WeakPolarHBondContact CA-OG1 3.05Å; S202-T395 VanDerWaalsContact CB-OG1 3.31Å; S202-T395 WeakPolarHBondContact CB-OG1 3.36Å; S202-T395 WeakPolarHBondContact O-CG2 3.4Å; S202-T395 PolarHBondContact OG-N 3.1Å; S202-T395 PolarHBondContact OG-OG1 2.67Å; L205-T395 HydrophobicContact CB-CG2 4.06Å; A206-T395 HydrophobicContact CB-CG2 3.88Å; I391-T395 VanDerWaalsContact O-CB 3.27Å; I391-T395 WeakPolarHBondContact O-CB 3.45Å; I391-T395 PolarHBondContact O-N 2.93Å; I391-T395 PolarHBondContact O-OG1 2.66Å; V392-T395 PolarHBondContact O-N 3.38Å; V392-T395 VanDerWaalsContact O-N 3.14Å; E393-T395 VanDerWaalsContact C-N 3.26Å; E393-T395 PolarHBondContact O-N 2.93Å; T395-Y399 WeakPolarHBondContact O-CB 3.49Å; T395-Y399 PolarHBondContact O-N 3.29Å; T395-Y399 VanDerWaalsContact O-N 3.13Å; T395-M400 HydrophobicContact CG2-CE 3.89Å
396V96.1Very high95.4Very high4 Ų440.8 Ų40.82%0.02424%0.235CC..Hα-helixtrans-63.4-53.5177169.70000110L376 L377 A380 V392 E393 N398 Y399 M400 N401L376-V396 HydrophobicContact CB-CG1 4.29Å; L376-V396 HydrophobicContact CD2-CG1 4.21Å; L376-V396 HydrophobicContact CG-CG1 4.35Å; L377-V396 HydrophobicContact CB-CG1 4.13Å; L377-V396 HydrophobicContact CD1-CB 4.26Å; L377-V396 HydrophobicContact CD1-CG1 4.44Å; L377-V396 HydrophobicContact CD1-CG2 4.43Å; A380-V396 HydrophobicContact CB-CG2 3.75Å; V392-V396 HydrophobicContact CG1-CG2 4.31Å; V392-V396 WeakPolarHBondContact O-CG2 3.47Å; V392-V396 PolarHBondContact O-N 3.3Å; E393-V396 PolarHBondContact O-N 2.76Å; V396-N398 VanDerWaalsContact C-N 3.34Å; V396-N398 PolarHBondContact O-N 3.37Å; V396-Y399 PolarHBondContact O-N 2.86Å; V396-M400 CarbonylContact O-C 3.59Å; V396-M400 WeakPolarHBondContact O-CA 3.5Å; V396-M400 PolarHBondContact O-N 2.9Å; V396-N401 WeakPolarHBondContact O-CA 3.37Å; V396-N401 PolarHBondContact O-N 3.48Å
397R95.1Very high95.5Very high36 Ų3636.6 Ų36.614%0.13620%0.204CC..Hα-helixtrans-64-35.4-176-65.8-56.8-172.8-146.5-2.2113.6E189 L192 D375 E393 N401E189-R397 VanDerWaalsContact CD-NE 3.29Å; E189-R397 IonicContact OE1-CZ 3.46Å; E189-R397 IonicContact OE1-NE 2.76Å; E189-R397 PolarHBondContact OE1-NE 3.23Å; E189-R397 IonicContact OE1-NH2 3.31Å; E189-R397 PolarHBondContact OE1-NH2 3.08Å; E189-R397 WeakPolarHBondContact OE2-CD 3.45Å; E189-R397 IonicContact OE2-CZ 3.04Å; E189-R397 IonicContact OE2-NE 2.97Å; E189-R397 PolarHBondContact OE2-NE 2.72Å; E189-R397 IonicContact OE2-NH2 2.9Å; L192-R397 HydrophobicContact CD1-CB 4.25Å; D375-R397 VanDerWaalsContact CG-NH1 3.26Å; D375-R397 IonicContact OD1-CZ 2.68Å; D375-R397 IonicContact OD1-NH1 2.81Å; D375-R397 PolarHBondContact OD1-NH1 2.84Å; D375-R397 IonicContact OD1-NH2 3.5Å; D375-R397 PolarHBondContact OD1-NH2 2.85Å; D375-R397 VanDerWaalsContact OD1-NH2 3.12Å; D375-R397 IonicContact OD2-CZ 3.52Å; D375-R397 IonicContact OD2-NH1 3.98Å; D375-R397 PolarHBondContact OD2-NH1 3.45Å; D375-R397 IonicContact OD2-NH2 3.41Å; E393-R397 HydrophobicContact CG-CG 4.27Å; E393-R397 WeakPolarHBondContact O-CB 3.4Å; E393-R397 WeakPolarHBondContact O-CG 3.42Å; E393-R397 PolarHBondContact O-N 3.4Å; R397-N401 WeakPolarHBondContact CD-OD1 3.47Å; R397-N401 PolarHBondContact NH1-OD1 3.39Å
398N93.4Very high95.7Very high77 Ų7733 Ų3341%0.41217%0.167SC..Hα-helixtrans-85.2-26-178-69.2-8.9000114.4R394 V396R394-N398 WeakPolarHBondContact CG-ND2 3.24Å; R394-N398 WeakPolarHBondContact O-CB 3.44Å; R394-N398 VanDerWaalsContact O-CG 3.25Å; R394-N398 PolarHBondContact O-N 2.98Å; V396-N398 VanDerWaalsContact C-N 3.34Å; V396-N398 PolarHBondContact O-N 3.37Å
399Y95.1Very high95.8Very high64 Ų6430.5 Ų30.525%0.25115%0.154SC..Hα-helixtrans-131.6-20.8-169.4-60.2-75.2000115.4W203 A206 P318 T395 V396W203-Y399 HydrophobicContact CB-CE2 4.25Å; W203-Y399 WeakPolarHBondContact CB-OH 3.31Å; W203-Y399 AromaticContact CD1-CE1 3.86Å; A206-Y399 HydrophobicContact CB-CD1 4.49Å; A206-Y399 HydrophobicContact CB-CD2 3.89Å; A206-Y399 HydrophobicContact CB-CG 3.76Å; P318-Y399 WeakPolarHBondContact CD-O 3.48Å; T395-Y399 WeakPolarHBondContact O-CB 3.49Å; T395-Y399 PolarHBondContact O-N 3.29Å; T395-Y399 VanDerWaalsContact O-N 3.13Å; V396-Y399 PolarHBondContact O-N 2.86Å
400M94.9Very high95.6Very high11 Ų1128.4 Ų28.45%0.05414%0.144CC..  trans-139.436.3-170.5-62.2-179.2-62.800111.1L214 W317 L376 T395 V396 L402L214-M400 HydrophobicContact CB-SD 4.34Å; L214-M400 HydrophobicContact CD2-CB 3.92Å; L214-M400 HydrophobicContact CD2-CG 4Å; L214-M400 HydrophobicContact CD2-SD 3.86Å; W317-M400 HydrophobicContact CZ3-CG 4.31Å; L376-M400 HydrophobicContact CD2-CB 4.1Å; L376-M400 WeakPolarHBondContact CD2-O 3.39Å; T395-M400 HydrophobicContact CG2-CE 3.89Å; V396-M400 CarbonylContact O-C 3.59Å; V396-M400 WeakPolarHBondContact O-CA 3.5Å; V396-M400 PolarHBondContact O-N 2.9Å; M400-L402 PolarHBondContact O-N 3.46Å
401N96.5Very high95.6Very high34 Ų3422.2 Ų22.218%0.18211%0.11CC..  trans-76.786.1-173.3-168.339.1000111.3V396 R397 N403V396-N401 WeakPolarHBondContact O-CA 3.37Å; V396-N401 PolarHBondContact O-N 3.48Å; R397-N401 WeakPolarHBondContact CD-OD1 3.47Å; R397-N401 PolarHBondContact NH1-OD1 3.39Å; N401-N403 PolarHBondContact O-N 3.02Å
402L98Very high95.5Very high1 Ų124.9 Ų24.91%0.00513%0.132CC..  trans-90.487177-47.7-176.3000110.1L214 P318 I349 Y352 F373 L376 M400 I404L214-L402 HydrophobicContact CD1-CD1 4.16Å; L214-L402 HydrophobicContact CD2-CD1 4.1Å; P318-L402 HydrophobicContact CB-CD2 4.3Å; P318-L402 HydrophobicContact CG-CD2 3.99Å; I349-L402 HydrophobicContact CD1-CD1 3.49Å; I349-L402 VanDerWaalsContact CD1-CD1 3.49Å; I349-L402 HydrophobicContact CG1-CD1 3.49Å; I349-L402 VanDerWaalsContact CG1-CD1 3.49Å; Y352-L402 HydrophobicContact CD1-CD2 3.77Å; Y352-L402 HydrophobicContact CD2-CB 3.8Å; Y352-L402 HydrophobicContact CD2-CD2 3.75Å; Y352-L402 HydrophobicContact CD2-CG 4.35Å; Y352-L402 HydrophobicContact CE1-CD2 3.92Å; Y352-L402 HydrophobicContact CE2-CB 4.27Å; Y352-L402 HydrophobicContact CE2-CD2 3.85Å; Y352-L402 HydrophobicContact CG-CB 4.25Å; Y352-L402 HydrophobicContact CG-CD2 3.68Å; Y352-L402 HydrophobicContact CG-CG 4.45Å; F373-L402 HydrophobicContact CE2-CB 4.32Å; F373-L402 HydrophobicContact CZ-CB 4.47Å; F373-L402 HydrophobicContact CZ-CD1 4.3Å; L376-L402 HydrophobicContact CB-CB 4.09Å; L376-L402 HydrophobicContact CB-CG 4.47Å; L376-L402 HydrophobicContact CD2-CD1 4.21Å; L376-L402 HydrophobicContact CD2-CG 4.16Å; L376-L402 PolarHBondContact N-O 3.42Å; M400-L402 PolarHBondContact O-N 3.46Å; L402-I404 PolarHBondContact O-N 3.17Å
403N96.6Very high95.5Very high12 Ų1225.1 Ų25.16%0.06414%0.136CC..  trans-97.467.8-175.266.1-31.3000112.2N401 A405 D406 Q407N401-N403 PolarHBondContact O-N 3.02Å; N403-A405 PolarHBondContact O-N 2.85Å; N403-D406 HydrophobicContact CB-CB 4.21Å; N403-D406 WeakPolarHBondContact CB-OD2 3.31Å; N403-D406 PolarHBondContact ND2-OD2 3.45Å; N403-D406 PolarHBondContact O-N 3.37Å; N403-Q407 WeakPolarHBondContact O-CG 3.17Å; N403-Q407 PolarHBondContact O-N 3.12Å; N403-Q407 PolarHBondContact OD1-NE2 2.96Å
404I98.6Very high95.6Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-63.2-43-172.9-65.5163.2000111.6A351 Y352 T355 F373 D374 L402 Q407 L408 L445A351-I404 HydrophobicContact CB-CD1 3.99Å; A351-I404 HydrophobicContact CB-CG1 4.43Å; A351-I404 HydrophobicContact CB-CG2 4.04Å; Y352-I404 HydrophobicContact CD2-CG1 4.48Å; T355-I404 HydrophobicContact CG2-CG2 3.92Å; F373-I404 HydrophobicContact CD1-CD1 4.17Å; F373-I404 HydrophobicContact CD2-CD1 3.83Å; F373-I404 HydrophobicContact CE1-CD1 3.93Å; F373-I404 HydrophobicContact CE2-CD1 3.57Å; F373-I404 HydrophobicContact CG-CD1 4.13Å; F373-I404 HydrophobicContact CZ-CD1 3.62Å; F373-I404 VanDerWaalsContact O-CB 3.29Å; F373-I404 WeakPolarHBondContact O-CB 3.32Å; F373-I404 WeakPolarHBondContact O-CD1 3.34Å; F373-I404 WeakPolarHBondContact O-CG2 3.3Å; D374-I404 PolarHBondContact O-N 3.37Å; L402-I404 PolarHBondContact O-N 3.17Å; I404-Q407 PolarHBondContact O-N 2.92Å; I404-L408 WeakPolarHBondContact O-CB 3.29Å; I404-L408 PolarHBondContact O-N 2.88Å; I404-L445 HydrophobicContact CG2-CD1 4.08Å
405A98.2Very high95.8Very high9 Ų922.6 Ų22.67%0.07413%0.127CC..Hα-helixtrans-61.4-46.3179.700000112.1D374 N403 Q407 L408 D409 L445D374-A405 HydrophobicContact CB-CB 3.76Å; D374-A405 PolarHBondContact O-N 2.76Å; N403-A405 PolarHBondContact O-N 2.85Å; A405-Q407 PolarHBondContact O-N 3.41Å; A405-L408 PolarHBondContact O-N 3.01Å; A405-L408 VanDerWaalsContact O-N 3.16Å; A405-D409 WeakPolarHBondContact O-CB 3.49Å; A405-D409 PolarHBondContact O-N 2.88Å; A405-L445 HydrophobicContact CB-CD1 3.96Å
406D95.4Very high95.9Very high46 Ų4622.8 Ų22.825%0.24613%0.128CC..Hα-helixtrans-57-39.9176.6-71.3-31.3000112.5R158 N403R158-D406 IonicContact CZ-OD1 3.85Å; R158-D406 IonicContact CZ-OD2 3.64Å; R158-D406 IonicContact NE-OD1 3.15Å; R158-D406 IonicContact NH2-OD1 2.7Å; R158-D406 PolarHBondContact NH2-OD1 3.22Å; R158-D406 IonicContact NH2-OD2 3.64Å; R158-D406 PolarHBondContact NH2-OD2 2.93Å; N403-D406 HydrophobicContact CB-CB 4.21Å; N403-D406 WeakPolarHBondContact CB-OD2 3.31Å; N403-D406 PolarHBondContact ND2-OD2 3.45Å; N403-D406 PolarHBondContact O-N 3.37Å
407Q96.6Very high96Very high12 Ų1222.6 Ų22.66%0.05613%0.127CC..Hα-helixtrans-73.9-40.5179.6-65.3177.530.600111Y352 T355 W356 I359 N403 I404 A405 C410Y352-Q407 PolarHBondContact O-OE1 3.48Å; T355-Q407 PolarHBondContact OG1-OE1 2.96Å; T355-Q407 VanDerWaalsContact OG1-OE1 3.08Å; W356-Q407 VanDerWaalsContact CA-OE1 3.25Å; W356-Q407 VanDerWaalsContact CB-OE1 3.3Å; I359-Q407 WeakPolarHBondContact CG2-O 3.31Å; N403-Q407 WeakPolarHBondContact O-CG 3.17Å; N403-Q407 PolarHBondContact O-N 3.12Å; N403-Q407 PolarHBondContact OD1-NE2 2.96Å; I404-Q407 PolarHBondContact O-N 2.92Å; A405-Q407 PolarHBondContact O-N 3.41Å; Q407-C410 WeakPolarHBondContact O-CB 3.32Å; Q407-C410 PolarHBondContact O-N 3.46Å
408L97.2Very high96.2Very high0 Ų020.9 Ų20.90%012%0.12CC..Hα-helixtrans-64.3-40.6178.3-176.260.9000111.9T355 L367 L369 I404 A405 C410 Y411 V415 I417 L445 F449T355-L408 HydrophobicContact CG2-CB 4.03Å; T355-L408 HydrophobicContact CG2-CD1 4.22Å; L367-L408 HydrophobicContact CD2-CD1 3.73Å; L369-L408 HydrophobicContact CD1-CD1 4.15Å; L369-L408 HydrophobicContact CD1-CD2 3.96Å; I404-L408 WeakPolarHBondContact O-CB 3.29Å; I404-L408 PolarHBondContact O-N 2.88Å; A405-L408 PolarHBondContact O-N 3.01Å; A405-L408 VanDerWaalsContact O-N 3.16Å; L408-C410 PolarHBondContact O-N 2.84Å; L408-Y411 PolarHBondContact O-N 3.46Å; L408-V415 HydrophobicContact CD1-CG1 4.09Å; L408-V415 HydrophobicContact CD1-CG2 3.9Å; L408-I417 HydrophobicContact CD2-CD1 4.32Å; L408-L445 HydrophobicContact CD2-CD1 3.67Å; L408-L445 HydrophobicContact CD2-CD2 4.48Å; L408-L445 HydrophobicContact CD2-CG 4.11Å; L408-F449 HydrophobicContact CD1-CD2 4.42Å; L408-F449 HydrophobicContact CD2-CB 3.99Å; L408-F449 HydrophobicContact CD2-CD2 3.88Å; L408-F449 HydrophobicContact CD2-CG 4.06Å; L408-F449 HydrophobicContact CG-CD2 3.79Å; L408-F449 HydrophobicContact CG-CE2 4.42Å; L408-F449 HydrophobicContact CG-CG 4.46Å
409D94.1Very high96.4Very high26 Ų2617.2 Ų17.214%0.13910%0.101CC..Hα-helixtrans-60.6-30.3178.3-73.6-7.2000111.6A405 Y411 S448 F449 H452A405-D409 WeakPolarHBondContact O-CB 3.49Å; A405-D409 PolarHBondContact O-N 2.88Å; D409-Y411 VanDerWaalsContact C-N 3.32Å; D409-Y411 PolarHBondContact O-N 3.07Å; D409-S448 PolarHBondContact OD2-OG 3.44Å; D409-F449 WeakPolarHBondContact OD1-CA 3.42Å; D409-H452 HydrophobicContact CB-CB 4.01Å; D409-H452 PolarHBondContact O-CD2 2.98Å; D409-H452 PolarHBondContact O-NE2 3.26Å
410C92.2Very high96.5Very high12 Ų1214.4 Ų14.48%0.0819%0.09CC..THydrogen-bonded Turntrans-77.9-8.6174.6-77.30000114.8C156 I359 Q407 L408C156-C410 HydrophobicContact CB-CB 3.78Å; C156-C410 WeakPolarHBondContact CB-SG 3.4Å; C156-C410 WeakPolarHBondContact SG-CB 3.47Å; C156-C410 CovalentContact SG-SG 2.04Å; C156-C410 PolarHBondContact SG-SG 2.87Å; I359-C410 HydrophobicContact CG2-CB 3.63Å; Q407-C410 WeakPolarHBondContact O-CB 3.32Å; Q407-C410 PolarHBondContact O-N 3.46Å; L408-C410 PolarHBondContact O-N 2.84Å
411Y95Very high96.4Very high1 Ų114.9 Ų14.90%0.0049%0.092CC..  trans-100.5117.6-179174.6-116.7000111A358 I364 L367 L408 D409 G413 P414 V415 R453A358-Y411 HydrophobicContact CB-CD1 4Å; A358-Y411 HydrophobicContact CB-CD2 3.68Å; A358-Y411 HydrophobicContact CB-CE1 4.28Å; A358-Y411 HydrophobicContact CB-CE2 3.99Å; A358-Y411 HydrophobicContact CB-CG 3.68Å; A358-Y411 WeakPolarHBondContact O-CD2 3.47Å; I364-Y411 HydrophobicContact CD1-CE2 4.36Å; I364-Y411 HydrophobicContact CG1-CE2 3.98Å; I364-Y411 WeakPolarHBondContact CG1-OH 3.43Å; L367-Y411 HydrophobicContact CB-CE1 4Å; L367-Y411 HydrophobicContact CD2-CD1 4.47Å; L408-Y411 PolarHBondContact O-N 3.46Å; D409-Y411 VanDerWaalsContact C-N 3.32Å; D409-Y411 PolarHBondContact O-N 3.07Å; Y411-G413 WeakPolarHBondContact OH-CA 3.41Å; Y411-P414 WeakPolarHBondContact CE1-O 3.22Å; Y411-V415 HydrophobicContact CD1-CG2 3.68Å; Y411-V415 HydrophobicContact CE1-CG2 3.72Å; Y411-R453 PolarHBondContact O-NH2 3.2Å
412S92.1Very high96.3Very high87 Ų8719.2 Ų19.261%0.60811%0.106SC*.  trans-90.8-7.5-177.463.50000114.6R453S412-R453 PolarHBondContact O-NH1 3.18Å; S412-R453 PolarHBondContact O-NH2 2.82Å
413G95Very high96.3Very high13 Ų1319.2 Ų19.213%0.13411%0.106CC..SBendtrans-79-174.3-177.900000113.8Y411 R453Y411-G413 WeakPolarHBondContact OH-CA 3.41Å; G413-R453 PolarHBondContact O-NH2 3.14Å
414P97.7Very high96.2Very high22 Ų2221.5 Ų21.514%0.14312%0.116CC..  trans-64.2135.4-178.9-27.439.1000113.4K365 G366 L367 Y411 P541 P543K365-P414 WeakPolarHBondContact O-CG 3.43Å; G366-P414 CarbonylContact C-O 3.59Å; G366-P414 VanDerWaalsContact CA-O 3.29Å; G366-P414 WeakPolarHBondContact CA-O 3.15Å; L367-P414 PolarHBondContact N-O 2.92Å; Y411-P414 WeakPolarHBondContact CE1-O 3.22Å; P414-P541 HydrophobicContact CB-CB 3.78Å; P414-P543 HydrophobicContact CG-CB 4.19Å
415V98.4Very high96.1Very high1 Ų125.3 Ų25.31%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-135.9132.7-178.3179.60000110.3L367 L408 Y411 I417 F449 H521L367-V415 HydrophobicContact CB-CG2 4.45Å; L367-V415 CarbonylContact O-C 3.59Å; L367-V415 WeakPolarHBondContact O-CA 3.37Å; L408-V415 HydrophobicContact CD1-CG1 4.09Å; L408-V415 HydrophobicContact CD1-CG2 3.9Å; Y411-V415 HydrophobicContact CD1-CG2 3.68Å; Y411-V415 HydrophobicContact CE1-CG2 3.72Å; V415-I417 HydrophobicContact CG1-CD1 4.39Å; V415-I417 HydrophobicContact CG1-CG1 3.94Å; V415-F449 HydrophobicContact CB-CE1 4.45Å; V415-F449 HydrophobicContact CB-CE2 4.17Å; V415-F449 HydrophobicContact CB-CZ 3.8Å; V415-F449 HydrophobicContact CG1-CE2 4.41Å; V415-F449 HydrophobicContact CG1-CZ 4.2Å; V415-F449 HydrophobicContact CG2-CE2 3.96Å; V415-F449 HydrophobicContact CG2-CZ 4.05Å; V415-H521 PolarHBondContact O-ND1 2.96Å
416T98.5Very high96Very high11 Ų1125.1 Ų25.17%0.06713%0.134CC..EExtended strand (participates in β ladder)trans-122.6131.1166.5-59.50000109.3L367 F368 L369 H521 I523 P541L367-T416 PolarHBondContact O-N 3.09Å; F368-T416 CarbonylContact C-O 3.56Å; F368-T416 WeakPolarHBondContact CA-O 3.49Å; F368-T416 HydrophobicContact CD2-CG2 3.92Å; F368-T416 HydrophobicContact CE2-CG2 3.72Å; F368-T416 HydrophobicContact CZ-CG2 4.42Å; L369-T416 PolarHBondContact N-O 3.35Å; T416-H521 CarbonylContact C-O 3.6Å; T416-H521 VanDerWaalsContact CA-O 3.29Å; T416-H521 WeakPolarHBondContact CA-O 3.17Å; T416-I523 HydrophobicContact CG2-CD1 3.73Å; T416-I523 HydrophobicContact CG2-CG1 4.07Å; T416-P541 WeakPolarHBondContact OG1-CA 3.44Å; T416-P541 WeakPolarHBondContact OG1-CB 3.4Å
417I98.6Very high96.1Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-115.6117.8178.3-57.2172.1000108.4L369 L408 V415 T442 L445 I446 F449 H521 V522 I523L369-I417 HydrophobicContact CB-CG1 4.43Å; L369-I417 HydrophobicContact CD1-CG1 4.49Å; L369-I417 CarbonylContact O-C 3.5Å; L369-I417 WeakPolarHBondContact O-CA 3.48Å; L408-I417 HydrophobicContact CD2-CD1 4.32Å; V415-I417 HydrophobicContact CG1-CD1 4.39Å; V415-I417 HydrophobicContact CG1-CG1 3.94Å; I417-T442 HydrophobicContact CG2-CG2 3.69Å; I417-L445 HydrophobicContact CD1-CD2 4.47Å; I417-L445 HydrophobicContact CD1-CG 4.45Å; I417-I446 HydrophobicContact CD1-CG1 4.02Å; I417-I446 HydrophobicContact CG2-CD1 4.31Å; I417-I446 HydrophobicContact CG2-CG1 4.02Å; I417-F449 HydrophobicContact CD1-CD1 4.22Å; I417-H521 PolarHBondContact N-O 2.79Å; I417-V522 HydrophobicContact CB-CG2 4.48Å; I417-V522 CarbonylContact O-C 3.54Å; I417-V522 VanDerWaalsContact O-CA 3.29Å; I417-V522 WeakPolarHBondContact O-CA 3.38Å; I417-I523 PolarHBondContact O-N 3.1Å
418V98.4Very high96.1Very high0 Ų024.8 Ų24.80%013%0.134CC..EExtended strand (participates in β ladder)trans-88.4113.8169.6-1770000108.7F368 L369 D370 A371 R420 I523 A525 L533 V537F368-V418 HydrophobicContact CD1-CG2 4.39Å; F368-V418 HydrophobicContact CE1-CG2 3.35Å; F368-V418 HydrophobicContact CE2-CG2 4.36Å; F368-V418 HydrophobicContact CZ-CG2 3.33Å; L369-V418 PolarHBondContact O-N 2.87Å; D370-V418 HydrophobicContact CB-CB 4.27Å; A371-V418 PolarHBondContact N-O 3.18Å; V418-R420 HydrophobicContact CG1-CG 4.46Å; V418-I523 CarbonylContact C-O 3.5Å; V418-I523 WeakPolarHBondContact CA-O 3.27Å; V418-I523 HydrophobicContact CG2-CB 4.35Å; V418-I523 HydrophobicContact CG2-CD1 4.49Å; V418-A525 HydrophobicContact CG1-CB 3.78Å; V418-L533 HydrophobicContact CG1-CD1 4.21Å; V418-V537 HydrophobicContact CG1-CG1 4.29Å; V418-V537 HydrophobicContact CG2-CG1 3.98Å
419R97.5Very high96Very high0 Ų027.1 Ų27.10%015%0.147CC..EExtended strand (participates in β ladder)trans-95.2111.2175.1-179.4-178.8174.8-101.3-1.3109.3N421 L437 T442 N443 I446 L470 V522 I523 D524 A525R419-N421 PolarHBondContact O-N 3.37Å; R419-L437 PolarHBondContact NH2-O 3.37Å; R419-T442 HydrophobicContact CB-CG2 4.2Å; R419-T442 HydrophobicContact CG-CG2 4.31Å; R419-N443 PolarHBondContact NE-OD1 2.92Å; R419-N443 PolarHBondContact NH2-OD1 3.26Å; R419-N443 VanDerWaalsContact NH2-OD1 3.14Å; R419-I446 HydrophobicContact CB-CD1 4.19Å; R419-I446 HydrophobicContact CG-CD1 4.41Å; R419-L470 PolarHBondContact NH2-O 2.87Å; R419-V522 HydrophobicContact CB-CG1 4.05Å; R419-I523 PolarHBondContact N-O 3.34Å; R419-D524 WeakPolarHBondContact CD-OD1 3.44Å; R419-D524 IonicContact CZ-OD1 2.66Å; R419-D524 IonicContact NE-OD1 3.33Å; R419-D524 IonicContact NH1-OD1 3.58Å; R419-D524 PolarHBondContact NH1-OD1 3.4Å; R419-D524 WeakPolarHBondContact O-CA 3.44Å; R419-A525 PolarHBondContact O-N 3.5Å
420R96.8Very high96Very high4 Ų431.7 Ų31.72%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-85.5110.7176.5-65.3-167.6-172.6-159.74.1110D370 A371 V418 R422 D423 I440 A525 L527 T528 H529 S531D370-R420 IonicContact OD1-CZ 3.35Å; D370-R420 IonicContact OD1-NE 3.3Å; D370-R420 PolarHBondContact OD1-NE 2.98Å; D370-R420 IonicContact OD1-NH2 2.66Å; D370-R420 PolarHBondContact OD1-NH2 3.34Å; D370-R420 IonicContact OD2-CZ 3.96Å; D370-R420 IonicContact OD2-NE 2.67Å; D370-R420 IonicContact OD2-NH2 3.44Å; D370-R420 PolarHBondContact OD2-NH2 3.12Å; A371-R420 HydrophobicContact CB-CB 4.37Å; A371-R420 VanDerWaalsContact CB-CD 3.5Å; A371-R420 HydrophobicContact CB-CG 3.81Å; V418-R420 HydrophobicContact CG1-CG 4.46Å; R420-R422 VanDerWaalsContact C-N 3.26Å; R420-R422 PolarHBondContact O-N 3.2Å; R420-D423 HydrophobicContact CB-CB 4.25Å; R420-D423 WeakPolarHBondContact O-CB 3.45Å; R420-D423 PolarHBondContact O-N 3.07Å; R420-I440 WeakPolarHBondContact O-CD1 3.46Å; R420-A525 WeakPolarHBondContact CA-O 3.23Å; R420-L527 HydrophobicContact CB-CB 4.46Å; R420-L527 WeakPolarHBondContact CB-O 3.17Å; R420-L527 HydrophobicContact CG-CB 4.14Å; R420-T528 WeakPolarHBondContact CD-O 3.48Å; R420-T528 PolarHBondContact NH1-O 3.03Å; R420-H529 PolarHBondContact NH1-O 3.37Å; R420-S531 PolarHBondContact NH1-O 3.3Å; R420-S531 PolarHBondContact NH2-O 3.26Å
421N94.3Very high96.1Very high21 Ų2137.8 Ų37.811%0.11220%0.197CC..THydrogen-bonded Turntrans-76.6-7-170.970.55.7000114.3R419 L437 A525 D526R419-N421 PolarHBondContact O-N 3.37Å; N421-L437 HydrophobicContact CB-CD1 3.77Å; N421-L437 WeakPolarHBondContact O-CD1 3.34Å; N421-A525 PolarHBondContact N-O 3.2Å; N421-A525 PolarHBondContact OD1-O 3.29Å; N421-D526 WeakPolarHBondContact OD1-CA 3.34Å; N421-D526 PolarHBondContact OD1-OD1 3.08Å
422R94.4Very high96Very high126 Ų12640 Ų4048%0.47521%0.213SC..THydrogen-bonded Turntrans-110.621.1171.7-52.3-176.6-172.6-179.71.7112.4R420 E424 Q436 D526 L527 T528R420-R422 VanDerWaalsContact C-N 3.26Å; R420-R422 PolarHBondContact O-N 3.2Å; R422-E424 PolarHBondContact O-N 3.35Å; R422-Q436 PolarHBondContact O-NE2 3.38Å; R422-D526 IonicContact CZ-OD1 3.3Å; R422-D526 IonicContact CZ-OD2 2.9Å; R422-D526 IonicContact NE-OD1 3.22Å; R422-D526 PolarHBondContact NE-OD1 2.98Å; R422-D526 IonicContact NE-OD2 3.49Å; R422-D526 IonicContact NH2-OD1 2.67Å; R422-D526 PolarHBondContact NH2-OD1 3.33Å; R422-D526 IonicContact NH2-OD2 3.64Å; R422-D526 PolarHBondContact NH2-OD2 3.38Å; R422-L527 WeakPolarHBondContact CB-O 3.26Å; R422-L527 PolarHBondContact N-O 2.94Å; R422-T528 HydrophobicContact CB-CG2 4.14Å
423D96.6Very high95.9Very high0 Ų043.8 Ų43.80%022%0.223CC..  trans-62.8110.2-176.3-162.3-46.7000111.4R420 I425 L426 S427 Q436 I440 H529R420-D423 HydrophobicContact CB-CB 4.25Å; R420-D423 WeakPolarHBondContact O-CB 3.45Å; R420-D423 PolarHBondContact O-N 3.07Å; D423-I425 PolarHBondContact OD1-N 3.08Å; D423-L426 PolarHBondContact OD1-N 2.87Å; D423-S427 PolarHBondContact O-OG 3.47Å; D423-Q436 VanDerWaalsContact C-NE2 3.34Å; D423-Q436 PolarHBondContact O-NE2 3.47Å; D423-I440 HydrophobicContact CB-CD1 4.2Å; D423-I440 HydrophobicContact CB-CG1 4.4Å; D423-I440 HydrophobicContact CB-CG2 4.22Å; D423-H529 VanDerWaalsContact CG-ND1 3.33Å; D423-H529 WeakPolarHBondContact OD1-CB 3.43Å; D423-H529 IonicContact OD1-CG 3.75Å; D423-H529 IonicContact OD1-ND1 3.08Å; D423-H529 PolarHBondContact OD1-ND1 3.2Å; D423-H529 IonicContact OD2-CE1 3.46Å; D423-H529 IonicContact OD2-CG 3.56Å; D423-H529 IonicContact OD2-ND1 3.12Å; D423-H529 PolarHBondContact OD2-ND1 3.17Å
424E95Very high95.8Very high60 Ų6047 Ų4728%0.2824%0.243SC..SBendtrans-90.3-9.7-177.675-75.3-173.200113.3R422 K430 T528 H529R422-E424 PolarHBondContact O-N 3.35Å; E424-K430 WeakPolarHBondContact O-CE 3.43Å; E424-K430 PolarHBondContact O-NZ 3.42Å; E424-T528 WeakPolarHBondContact OE2-CB 3.49Å; E424-H529 PolarHBondContact OE2-N 3.39Å
425I96Very high95.6Very high81 Ų8147.8 Ų47.842%0.41525%0.25SC..SBendtrans-98.8-45.8-174.7-59.8-58.9000110.3D423 S427 H529D423-I425 PolarHBondContact OD1-N 3.08Å; I425-S427 VanDerWaalsContact C-N 3.31Å; I425-S427 PolarHBondContact O-N 3.26Å; I425-H529 HydrophobicContact CB-CB 3.86Å; I425-H529 HydrophobicContact CG1-CB 3.49Å; I425-H529 VanDerWaalsContact CG1-CB 3.49Å
426L97.2Very high95.5Very high4 Ų449.7 Ų49.72%0.02126%0.258CS..SBendtrans-90.79.5-176.1-57.8-173.3000114A371 T372 F373 L379 D423 I440 R441A371-L426 VanDerWaalsContact C-CD1 3.46Å; A371-L426 WeakPolarHBondContact O-CD1 3.49Å; T372-L426 WeakPolarHBondContact O-CD1 3.48Å; F373-L426 HydrophobicContact CB-CD1 4.4Å; F373-L426 HydrophobicContact CB-CD2 4.48Å; F373-L426 HydrophobicContact CD1-CD1 4.4Å; F373-L426 HydrophobicContact CD1-CD2 3.89Å; L379-L426 HydrophobicContact CD1-CD2 3.83Å; L379-L426 HydrophobicContact CD2-CD2 4.43Å; D423-L426 PolarHBondContact OD1-N 2.87Å; L426-I440 HydrophobicContact CB-CG2 4.43Å; L426-I440 CarbonylContact O-C 3.5Å; L426-I440 WeakPolarHBondContact O-CA 3.4Å; L426-R441 WeakPolarHBondContact O-CG 3.5Å; L426-R441 PolarHBondContact O-N 3.26Å
427S97Very high95.4Very high1 Ų149.6 Ų49.61%0.00726%0.257CS..BIsolated β-bridgetrans-91.8128.5175-65.40000111.6D423 I425 K430 Q436 I440D423-S427 PolarHBondContact O-OG 3.47Å; I425-S427 VanDerWaalsContact C-N 3.31Å; I425-S427 PolarHBondContact O-N 3.26Å; S427-K430 VanDerWaalsContact O-CE 3.32Å; S427-K430 WeakPolarHBondContact O-CE 3.25Å; S427-Q436 VanDerWaalsContact CB-CG 3.47Å; S427-Q436 WeakPolarHBondContact OG-CG 3.31Å; S427-Q436 PolarHBondContact OG-O 3.09Å; S427-I440 VanDerWaalsContact OG-CG1 3.25Å; S427-I440 WeakPolarHBondContact OG-CG1 3.4Å
428T96.7Very high95.3Very high50 Ų5051.9 Ų51.931%0.30728%0.276SS..SBendtrans-88.4-13.3179.958.90000114.6P378 L379 T382 S439 R441P378-T428 HydrophobicContact CB-CG2 4.33Å; L379-T428 HydrophobicContact CD2-CG2 4.15Å; T382-T428 HydrophobicContact CG2-CG2 3.88Å; T428-S439 PolarHBondContact N-O 2.9Å; T428-S439 VanDerWaalsContact N-O 3.16Å; T428-S439 PolarHBondContact N-OG 3.33Å; T428-S439 WeakPolarHBondContact OG1-CB 3.49Å; T428-R441 HydrophobicContact CG2-CG 4.16Å
429N95.5Very high95.2Very high50 Ų5052.6 Ų52.627%0.26728%0.281SS..  trans-124127170.7-176.6-50.7000109.2D431 S435 Q436 S439N429-D431 PolarHBondContact ND2-OD2 3.2Å; N429-D431 VanDerWaalsContact OD1-CB 3.29Å; N429-D431 WeakPolarHBondContact OD1-CB 3.42Å; N429-D431 VanDerWaalsContact OD1-CG 3.26Å; N429-D431 PolarHBondContact OD1-N 3.07Å; N429-D431 PolarHBondContact OD1-OD2 2.81Å; N429-S435 WeakPolarHBondContact OD1-CB 3.32Å; N429-Q436 WeakPolarHBondContact O-CA 3.49Å; N429-Q436 PolarHBondContact O-N 3.39Å; N429-S439 PolarHBondContact N-OG 2.59Å; N429-S439 PolarHBondContact O-OG 3.15Å
430K93.2Very high95.2Very high122 Ų12252.6 Ų52.653%0.5328%0.281SS..  trans-119.718.2-177.9-53.1-174.7-168.9-168.40112.7E424 S427 S432E424-K430 WeakPolarHBondContact O-CE 3.43Å; E424-K430 PolarHBondContact O-NZ 3.42Å; S427-K430 VanDerWaalsContact O-CE 3.32Å; S427-K430 WeakPolarHBondContact O-CE 3.25Å; K430-S432 VanDerWaalsContact C-N 3.34Å; K430-S432 PolarHBondContact O-N 2.81Å
431D93.9Very high95.2Very high140 Ų14053.9 Ų53.975%0.74929%0.286SS*.SBendtrans-70.7-31.6-174.4-60.7-30.8000112.3N429N429-D431 PolarHBondContact ND2-OD2 3.2Å; N429-D431 VanDerWaalsContact OD1-CB 3.29Å; N429-D431 WeakPolarHBondContact OD1-CB 3.42Å; N429-D431 VanDerWaalsContact OD1-CG 3.26Å; N429-D431 PolarHBondContact OD1-N 3.07Å; N429-D431 PolarHBondContact OD1-OD2 2.81Å
432S93.9Very high95.4Very high48 Ų4852.9 Ų52.934%0.33628%0.281SS..SBendtrans-150.2163.8177.481.60000110.5K430 S434 S435 Q436K430-S432 VanDerWaalsContact C-N 3.34Å; K430-S432 PolarHBondContact O-N 2.81Å; S432-S434 VanDerWaalsContact C-N 3.29Å; S432-S434 PolarHBondContact O-N 3.36Å; S432-S434 PolarHBondContact OG-N 3.39Å; S432-S434 PolarHBondContact OG-OG 2.74Å; S432-S435 PolarHBondContact O-N 2.82Å; S432-S435 WeakPolarHBondContact OG-CB 3.43Å; S432-S435 PolarHBondContact OG-N 3.06Å; S432-S435 PolarHBondContact OG-OG 3.02Å; S432-Q436 WeakPolarHBondContact O-CB 3.39Å; S432-Q436 PolarHBondContact O-N 3.13Å
433M90.4Very high95.6Very high165 Ų16547.1 Ų47.181%0.81326%0.259SS*.Hα-helixtrans-60.5-37.4176.3-68.8-179.76700112.6L437M433-L437 WeakPolarHBondContact O-CB 3.48Å; M433-L437 PolarHBondContact O-N 2.93Å
434S91.9Very high95.6Very high80 Ų8048.2 Ų48.256%0.55927%0.265SS*.Hα-helixtrans-72.1-41.5178.354.20000111.7S432 Q436 L437 A438S432-S434 VanDerWaalsContact C-N 3.29Å; S432-S434 PolarHBondContact O-N 3.36Å; S432-S434 PolarHBondContact OG-N 3.39Å; S432-S434 PolarHBondContact OG-OG 2.74Å; S434-Q436 VanDerWaalsContact C-N 3.29Å; S434-Q436 PolarHBondContact O-N 2.95Å; S434-L437 PolarHBondContact O-N 2.93Å; S434-A438 WeakPolarHBondContact O-CB 3.24Å; S434-A438 PolarHBondContact O-N 3.34Å
435S94.5Very high95.8Very high40 Ų4045.4 Ų45.428%0.2825%0.252SS..Hα-helixtrans-64.4-36.4174.9-57.20000111.7N429 S432 S439N429-S435 WeakPolarHBondContact OD1-CB 3.32Å; S432-S435 PolarHBondContact O-N 2.82Å; S432-S435 WeakPolarHBondContact OG-CB 3.43Å; S432-S435 PolarHBondContact OG-N 3.06Å; S432-S435 PolarHBondContact OG-OG 3.02Å; S435-S439 VanDerWaalsContact O-CB 3.22Å; S435-S439 WeakPolarHBondContact O-CB 3.34Å; S435-S439 PolarHBondContact O-N 2.94Å; S435-S439 VanDerWaalsContact O-N 3.1Å; S435-S439 PolarHBondContact O-OG 3.46Å
436Q95.6Very high95.9Very high40 Ų4041.5 Ų41.519%0.18723%0.232CC..Hα-helixtrans-60.3-57.1172.8-171.2-178.7-42.300110.5R422 D423 S427 N429 S432 S434 A438 S439 I440R422-Q436 PolarHBondContact O-NE2 3.38Å; D423-Q436 VanDerWaalsContact C-NE2 3.34Å; D423-Q436 PolarHBondContact O-NE2 3.47Å; S427-Q436 VanDerWaalsContact CB-CG 3.47Å; S427-Q436 WeakPolarHBondContact OG-CG 3.31Å; S427-Q436 PolarHBondContact OG-O 3.09Å; N429-Q436 WeakPolarHBondContact O-CA 3.49Å; N429-Q436 PolarHBondContact O-N 3.39Å; S432-Q436 WeakPolarHBondContact O-CB 3.39Å; S432-Q436 PolarHBondContact O-N 3.13Å; S434-Q436 VanDerWaalsContact C-N 3.29Å; S434-Q436 PolarHBondContact O-N 2.95Å; Q436-A438 VanDerWaalsContact C-N 3.29Å; Q436-A438 PolarHBondContact O-N 3.27Å; Q436-S439 CarbonylContact O-C 3.58Å; Q436-S439 PolarHBondContact O-N 3.27Å; Q436-S439 PolarHBondContact O-OG 2.99Å; Q436-S439 VanDerWaalsContact O-OG 3.13Å; Q436-I440 WeakPolarHBondContact O-CG1 3.33Å; Q436-I440 PolarHBondContact O-N 3.21Å
437L96.1Very high95.9Very high10 Ų1041.6 Ų41.65%0.05223%0.233CC..Hα-helixtrans-55.6-41.9179.6-177.361.3000113.6R419 N421 M433 S434 S439 I440 N443 S471 F472 T473R419-L437 PolarHBondContact NH2-O 3.37Å; N421-L437 HydrophobicContact CB-CD1 3.77Å; N421-L437 WeakPolarHBondContact O-CD1 3.34Å; M433-L437 WeakPolarHBondContact O-CB 3.48Å; M433-L437 PolarHBondContact O-N 2.93Å; S434-L437 PolarHBondContact O-N 2.93Å; L437-S439 VanDerWaalsContact C-N 3.28Å; L437-S439 PolarHBondContact O-N 3.09Å; L437-I440 HydrophobicContact CD1-CD1 3.89Å; L437-N443 PolarHBondContact O-ND2 3.42Å; L437-S471 WeakPolarHBondContact CD2-O 3.41Å; L437-F472 VanDerWaalsContact CD2-C 3.41Å; L437-T473 HydrophobicContact CD2-CG2 3.73Å
438A95.8Very high95.9Very high47 Ų4743.2 Ų43.239%0.38824%0.244SC..Hα-helixtrans-66.1-30.6178.100000112.9S434 Q436 N443S434-A438 WeakPolarHBondContact O-CB 3.24Å; S434-A438 PolarHBondContact O-N 3.34Å; Q436-A438 VanDerWaalsContact C-N 3.29Å; Q436-A438 PolarHBondContact O-N 3.27Å; A438-N443 PolarHBondContact O-ND2 2.83Å; A438-N443 VanDerWaalsContact O-ND2 3.07Å
439S96.7Very high95.9Very high16 Ų1641 Ų4111%0.11223%0.23CC..Hα-helixtrans-102.57.6-172.568.80000114.8T428 N429 S435 Q436 L437 R441T428-S439 PolarHBondContact N-O 2.9Å; T428-S439 VanDerWaalsContact N-O 3.16Å; T428-S439 PolarHBondContact N-OG 3.33Å; T428-S439 WeakPolarHBondContact OG1-CB 3.49Å; N429-S439 PolarHBondContact N-OG 2.59Å; N429-S439 PolarHBondContact O-OG 3.15Å; S435-S439 VanDerWaalsContact O-CB 3.22Å; S435-S439 WeakPolarHBondContact O-CB 3.34Å; S435-S439 PolarHBondContact O-N 2.94Å; S435-S439 VanDerWaalsContact O-N 3.1Å; S435-S439 PolarHBondContact O-OG 3.46Å; Q436-S439 CarbonylContact O-C 3.58Å; Q436-S439 PolarHBondContact O-N 3.27Å; Q436-S439 PolarHBondContact O-OG 2.99Å; Q436-S439 VanDerWaalsContact O-OG 3.13Å; L437-S439 VanDerWaalsContact C-N 3.28Å; L437-S439 PolarHBondContact O-N 3.09Å; S439-R441 PolarHBondContact O-N 3.37Å
440I97.4Very high95.9Very high0 Ų038.6 Ų38.60%022%0.217CC..BIsolated β-bridgetrans-61.9121.6171.8-57.9172.4000108.9R420 D423 L426 S427 Q436 L437 T442 N443R420-I440 WeakPolarHBondContact O-CD1 3.46Å; D423-I440 HydrophobicContact CB-CD1 4.2Å; D423-I440 HydrophobicContact CB-CG1 4.4Å; D423-I440 HydrophobicContact CB-CG2 4.22Å; L426-I440 HydrophobicContact CB-CG2 4.43Å; L426-I440 CarbonylContact O-C 3.5Å; L426-I440 WeakPolarHBondContact O-CA 3.4Å; S427-I440 VanDerWaalsContact OG-CG1 3.25Å; S427-I440 WeakPolarHBondContact OG-CG1 3.4Å; Q436-I440 WeakPolarHBondContact O-CG1 3.33Å; Q436-I440 PolarHBondContact O-N 3.21Å; L437-I440 HydrophobicContact CD1-CD1 3.89Å; I440-T442 WeakPolarHBondContact CG2-OG1 3.35Å; I440-T442 PolarHBondContact O-N 3.05Å; I440-T442 VanDerWaalsContact O-N 3.11Å; I440-N443 WeakPolarHBondContact O-CB 3.36Å; I440-N443 VanDerWaalsContact O-CG 3.23Å; I440-N443 PolarHBondContact O-N 3.46Å; I440-N443 PolarHBondContact O-ND2 3.37Å
441R98.1Very high95.9Very high31 Ų3138.2 Ų38.212%0.11721%0.213CC..Hα-helixtrans-62.9-18-179.2-64.7-49.1-60.6170.8-6.3114.9F373 D374 L379 L426 T428 S439 N443 D444 L445F373-R441 HydrophobicContact CB-CB 3.52Å; F373-R441 HydrophobicContact CB-CG 4.4Å; D374-R441 IonicContact OD1-CZ 3.88Å; D374-R441 VanDerWaalsContact OD1-CZ 3.3Å; D374-R441 IonicContact OD1-NE 3.38Å; D374-R441 PolarHBondContact OD1-NE 3.37Å; D374-R441 IonicContact OD1-NH2 3.57Å; D374-R441 PolarHBondContact OD1-NH2 2.93Å; D374-R441 VanDerWaalsContact OD1-NH2 3.08Å; D374-R441 IonicContact OD2-CZ 3.5Å; D374-R441 IonicContact OD2-NE 2.71Å; D374-R441 IonicContact OD2-NH2 2.84Å; D374-R441 PolarHBondContact OD2-NH2 3.04Å; L379-R441 HydrophobicContact CD1-CG 4.26Å; L379-R441 HydrophobicContact CD2-CG 3.55Å; L379-R441 HydrophobicContact CG-CG 3.78Å; L426-R441 WeakPolarHBondContact O-CG 3.5Å; L426-R441 PolarHBondContact O-N 3.26Å; T428-R441 HydrophobicContact CG2-CG 4.16Å; S439-R441 PolarHBondContact O-N 3.37Å; R441-N443 PolarHBondContact O-N 2.98Å; R441-D444 IonicContact CZ-OD1 3.57Å; R441-D444 IonicContact CZ-OD2 3.8Å; R441-D444 IonicContact NE-OD2 2.69Å; R441-D444 IonicContact NH1-OD1 3.98Å; R441-D444 PolarHBondContact NH1-OD1 2.97Å; R441-D444 IonicContact NH1-OD2 3.42Å; R441-D444 PolarHBondContact NH1-OD2 3.48Å; R441-D444 IonicContact NH2-OD1 3.67Å; R441-D444 PolarHBondContact NH2-OD1 3.27Å; R441-D444 IonicContact NH2-OD2 2.62Å; R441-D444 PolarHBondContact O-N 2.89Å; R441-L445 PolarHBondContact O-N 3.41Å; R441-L445 VanDerWaalsContact O-N 3.14Å
442T98.4Very high95.8Very high0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-58.6-30.8167.6-41.50000111.9T372 I417 R419 I440 L445 I446T372-T442 VanDerWaalsContact O-CA 3.31Å; T372-T442 WeakPolarHBondContact O-CA 3.39Å; T372-T442 WeakPolarHBondContact O-CB 3.3Å; T372-T442 PolarHBondContact O-N 3.27Å; T372-T442 PolarHBondContact O-OG1 3.03Å; I417-T442 HydrophobicContact CG2-CG2 3.69Å; R419-T442 HydrophobicContact CB-CG2 4.2Å; R419-T442 HydrophobicContact CG-CG2 4.31Å; I440-T442 WeakPolarHBondContact CG2-OG1 3.35Å; I440-T442 PolarHBondContact O-N 3.05Å; I440-T442 VanDerWaalsContact O-N 3.11Å; T442-L445 PolarHBondContact O-N 3.02Å; T442-I446 HydrophobicContact CG2-CD1 4.08Å; T442-I446 HydrophobicContact CG2-CG1 4.47Å; T442-I446 WeakPolarHBondContact O-CD1 3.35Å; T442-I446 VanDerWaalsContact O-CG1 3.24Å; T442-I446 WeakPolarHBondContact O-CG1 3.49Å; T442-I446 PolarHBondContact O-N 3.29Å
443N97.8Very high95.8Very high4 Ų435.3 Ų35.32%0.02119%0.187CC..Hα-helixtrans-61.3-47.7175.4-60.9-14.9000110.7R419 L437 A438 I440 R441 L445 I446 V447 L470R419-N443 PolarHBondContact NE-OD1 2.92Å; R419-N443 PolarHBondContact NH2-OD1 3.26Å; R419-N443 VanDerWaalsContact NH2-OD1 3.14Å; L437-N443 PolarHBondContact O-ND2 3.42Å; A438-N443 PolarHBondContact O-ND2 2.83Å; A438-N443 VanDerWaalsContact O-ND2 3.07Å; I440-N443 WeakPolarHBondContact O-CB 3.36Å; I440-N443 VanDerWaalsContact O-CG 3.23Å; I440-N443 PolarHBondContact O-N 3.46Å; I440-N443 PolarHBondContact O-ND2 3.37Å; R441-N443 PolarHBondContact O-N 2.98Å; N443-L445 VanDerWaalsContact C-N 3.32Å; N443-L445 PolarHBondContact O-N 3.26Å; N443-I446 PolarHBondContact O-N 2.93Å; N443-V447 VanDerWaalsContact O-CG2 3.25Å; N443-V447 WeakPolarHBondContact O-CG2 3.46Å; N443-V447 PolarHBondContact O-N 3.47Å; N443-L470 HydrophobicContact CB-CB 4.39Å; N443-L470 HydrophobicContact CB-CD1 4.04Å
444D97.7Very high95.9Very high24 Ų2428.5 Ų28.513%0.12815%0.152CC..Hα-helixtrans-62.9-38.8177.9-64-94000112.1D374 R441 V447 S448 R467D374-D444 HydrophobicContact CB-CB 4.09Å; R441-D444 IonicContact CZ-OD1 3.57Å; R441-D444 IonicContact CZ-OD2 3.8Å; R441-D444 IonicContact NE-OD2 2.69Å; R441-D444 IonicContact NH1-OD1 3.98Å; R441-D444 PolarHBondContact NH1-OD1 2.97Å; R441-D444 IonicContact NH1-OD2 3.42Å; R441-D444 PolarHBondContact NH1-OD2 3.48Å; R441-D444 IonicContact NH2-OD1 3.67Å; R441-D444 PolarHBondContact NH2-OD1 3.27Å; R441-D444 IonicContact NH2-OD2 2.62Å; R441-D444 PolarHBondContact O-N 2.89Å; D444-V447 PolarHBondContact O-N 3.4Å; D444-S448 WeakPolarHBondContact O-CB 3.49Å; D444-S448 PolarHBondContact O-N 2.91Å; D444-R467 IonicContact OD1-CZ 2.69Å; D444-R467 IonicContact OD1-NH1 3.69Å; D444-R467 PolarHBondContact OD1-NH1 3.48Å; D444-R467 IonicContact OD1-NH2 3.64Å
445L98.5Very high95.9Very high0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-61.7-47.7175.217967.5000111.4L369 T372 D374 I404 A405 L408 I417 R441 T442 N443 V447 S448 F449L369-L445 HydrophobicContact CD1-CD2 4.36Å; T372-L445 HydrophobicContact CG2-CD2 3.5Å; D374-L445 HydrophobicContact CB-CB 4.05Å; D374-L445 HydrophobicContact CB-CD1 4.5Å; I404-L445 HydrophobicContact CG2-CD1 4.08Å; A405-L445 HydrophobicContact CB-CD1 3.96Å; L408-L445 HydrophobicContact CD2-CD1 3.67Å; L408-L445 HydrophobicContact CD2-CD2 4.48Å; L408-L445 HydrophobicContact CD2-CG 4.11Å; I417-L445 HydrophobicContact CD1-CD2 4.47Å; I417-L445 HydrophobicContact CD1-CG 4.45Å; R441-L445 PolarHBondContact O-N 3.41Å; R441-L445 VanDerWaalsContact O-N 3.14Å; T442-L445 PolarHBondContact O-N 3.02Å; N443-L445 VanDerWaalsContact C-N 3.32Å; N443-L445 PolarHBondContact O-N 3.26Å; L445-V447 VanDerWaalsContact C-N 3.33Å; L445-V447 PolarHBondContact O-N 3.04Å; L445-S448 PolarHBondContact O-N 3.3Å; L445-F449 VanDerWaalsContact O-CB 3.28Å; L445-F449 WeakPolarHBondContact O-CB 3.42Å; L445-F449 PolarHBondContact O-N 3Å
446I98Very high95.7Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-60.3-45.2178.4-70.2161.8000110.5I417 R419 T442 N443 F449 L450 L466 L470 F518 V522I417-I446 HydrophobicContact CD1-CG1 4.02Å; I417-I446 HydrophobicContact CG2-CD1 4.31Å; I417-I446 HydrophobicContact CG2-CG1 4.02Å; R419-I446 HydrophobicContact CB-CD1 4.19Å; R419-I446 HydrophobicContact CG-CD1 4.41Å; T442-I446 HydrophobicContact CG2-CD1 4.08Å; T442-I446 HydrophobicContact CG2-CG1 4.47Å; T442-I446 WeakPolarHBondContact O-CD1 3.35Å; T442-I446 VanDerWaalsContact O-CG1 3.24Å; T442-I446 WeakPolarHBondContact O-CG1 3.49Å; T442-I446 PolarHBondContact O-N 3.29Å; N443-I446 PolarHBondContact O-N 2.93Å; I446-F449 PolarHBondContact O-N 2.91Å; I446-L450 HydrophobicContact CG2-CD1 3.71Å; I446-L450 HydrophobicContact CG2-CG 4.33Å; I446-L450 WeakPolarHBondContact O-CB 3.41Å; I446-L450 WeakPolarHBondContact O-CG 3.38Å; I446-L450 PolarHBondContact O-N 3.5Å; I446-L466 HydrophobicContact CG2-CD2 4.44Å; I446-L470 HydrophobicContact CB-CD1 4.45Å; I446-L470 HydrophobicContact CG2-CD1 4.24Å; I446-F518 HydrophobicContact CD1-CE2 4.45Å; I446-F518 HydrophobicContact CG2-CD2 4.01Å; I446-F518 HydrophobicContact CG2-CE2 4.02Å; I446-V522 HydrophobicContact CD1-CG1 3.77Å; I446-V522 HydrophobicContact CD1-CG2 3.96Å; I446-V522 HydrophobicContact CG1-CG2 3.9Å; I446-V522 HydrophobicContact CG2-CG2 3.94Å
447V97Very high95.5Very high5 Ų528.2 Ų28.23%0.0315%0.146CC..Hα-helixtrans-63.9-45.4179.6172.70000110.8N443 D444 L445 R451 A463 L466 R467 L470N443-V447 VanDerWaalsContact O-CG2 3.25Å; N443-V447 WeakPolarHBondContact O-CG2 3.46Å; N443-V447 PolarHBondContact O-N 3.47Å; D444-V447 PolarHBondContact O-N 3.4Å; L445-V447 VanDerWaalsContact C-N 3.33Å; L445-V447 PolarHBondContact O-N 3.04Å; V447-R451 WeakPolarHBondContact O-CB 3.36Å; V447-R451 PolarHBondContact O-N 3.47Å; V447-A463 HydrophobicContact CG1-CB 4.03Å; V447-L466 HydrophobicContact CB-CD2 4.49Å; V447-L466 HydrophobicContact CG2-CD2 3.8Å; V447-L466 HydrophobicContact CG2-CG 3.99Å; V447-R467 HydrophobicContact CG2-CG 3.74Å; V447-L470 HydrophobicContact CG2-CD1 4.17Å
448S96.4Very high95.3Very high36 Ų3627.9 Ų27.925%0.25214%0.144SC..Hα-helixtrans-57.7-52175.9-161.60000110.9D409 D444 L445 L450 R451 H452D409-S448 PolarHBondContact OD2-OG 3.44Å; D444-S448 WeakPolarHBondContact O-CB 3.49Å; D444-S448 PolarHBondContact O-N 2.91Å; L445-S448 PolarHBondContact O-N 3.3Å; S448-L450 PolarHBondContact O-N 3.41Å; S448-R451 PolarHBondContact O-N 2.72Å; S448-H452 WeakPolarHBondContact O-CB 3.47Å; S448-H452 PolarHBondContact O-N 3.19Å
449F96.7Very high94.9Very high2 Ų229 Ų291%0.00914%0.144CC..Hα-helixtrans-59.9-51-177.3172.4-109.6000112.7L408 D409 V415 I417 L445 I446 H452 R453 H521L408-F449 HydrophobicContact CD1-CD2 4.42Å; L408-F449 HydrophobicContact CD2-CB 3.99Å; L408-F449 HydrophobicContact CD2-CD2 3.88Å; L408-F449 HydrophobicContact CD2-CG 4.06Å; L408-F449 HydrophobicContact CG-CD2 3.79Å; L408-F449 HydrophobicContact CG-CE2 4.42Å; L408-F449 HydrophobicContact CG-CG 4.46Å; D409-F449 WeakPolarHBondContact OD1-CA 3.42Å; V415-F449 HydrophobicContact CB-CE1 4.45Å; V415-F449 HydrophobicContact CB-CE2 4.17Å; V415-F449 HydrophobicContact CB-CZ 3.8Å; V415-F449 HydrophobicContact CG1-CE2 4.41Å; V415-F449 HydrophobicContact CG1-CZ 4.2Å; V415-F449 HydrophobicContact CG2-CE2 3.96Å; V415-F449 HydrophobicContact CG2-CZ 4.05Å; I417-F449 HydrophobicContact CD1-CD1 4.22Å; L445-F449 VanDerWaalsContact O-CB 3.28Å; L445-F449 WeakPolarHBondContact O-CB 3.42Å; L445-F449 PolarHBondContact O-N 3Å; I446-F449 PolarHBondContact O-N 2.91Å; F449-H452 PolarHBondContact O-N 3.31Å; F449-R453 HydrophobicContact CE2-CB 4.45Å; F449-R453 HydrophobicContact CZ-CG 4.47Å; F449-R453 WeakPolarHBondContact O-CB 3.37Å; F449-R453 PolarHBondContact O-N 3.37Å; F449-H521 HydrophobicContact CE1-CB 4.06Å; F449-H521 AromaticContact CE1-CD2 3.82Å; F449-H521 AromaticContact CE1-CG 3.64Å; F449-H521 AromaticContact CE1-ND1 3.78Å; F449-H521 AromaticContact CZ-CE1 3.93Å; F449-H521 AromaticContact CZ-ND1 3.97Å
450L95.5Very high94.5Very high0 Ų033.1 Ų33.10%017%0.165CC..Hα-helixtrans-68.4-36.8-177.9-70.4176000112.1I446 S448 Y454 F458 L466 F518I446-L450 HydrophobicContact CG2-CD1 3.71Å; I446-L450 HydrophobicContact CG2-CG 4.33Å; I446-L450 WeakPolarHBondContact O-CB 3.41Å; I446-L450 WeakPolarHBondContact O-CG 3.38Å; I446-L450 PolarHBondContact O-N 3.5Å; S448-L450 PolarHBondContact O-N 3.41Å; L450-Y454 HydrophobicContact CD2-CD2 4.01Å; L450-Y454 HydrophobicContact CD2-CE2 4.01Å; L450-Y454 PolarHBondContact O-N 3.27Å; L450-F458 HydrophobicContact CB-CD1 4.12Å; L450-F458 HydrophobicContact CB-CD2 3.83Å; L450-F458 HydrophobicContact CB-CE1 4.16Å; L450-F458 HydrophobicContact CB-CE2 3.85Å; L450-F458 HydrophobicContact CB-CG 3.96Å; L450-F458 HydrophobicContact CB-CZ 4.02Å; L450-F458 HydrophobicContact CD1-CE1 3.96Å; L450-F458 HydrophobicContact CD1-CE2 4.33Å; L450-F458 HydrophobicContact CD1-CZ 3.76Å; L450-F458 HydrophobicContact CD2-CE2 4.24Å; L450-F458 HydrophobicContact CD2-CZ 4.4Å; L450-F458 HydrophobicContact CG-CE2 4.36Å; L450-F458 HydrophobicContact CG-CZ 4.28Å; L450-F458 WeakPolarHBondContact O-CD2 3.35Å; L450-L466 HydrophobicContact CD1-CD2 3.88Å; L450-F518 HydrophobicContact CD1-CB 4.21Å; L450-F518 HydrophobicContact CD1-CD2 4.13Å
451R94.1Very high94Very high114 Ų11438.6 Ų38.643%0.4320%0.198SC..Hα-helixtrans-62.3-45173.4177.7177.5172.11509.9111.9V447 S448 P455 F458 D460V447-R451 WeakPolarHBondContact O-CB 3.36Å; V447-R451 PolarHBondContact O-N 3.47Å; S448-R451 PolarHBondContact O-N 2.72Å; R451-P455 WeakPolarHBondContact O-CA 3.31Å; R451-F458 HydrophobicContact CB-CB 4.31Å; R451-D460 IonicContact CZ-OD1 2.73Å; R451-D460 IonicContact NH1-OD1 3.75Å; R451-D460 PolarHBondContact NH1-OD1 2.79Å; R451-D460 IonicContact NH2-OD1 3.94Å; R451-D460 PolarHBondContact NH2-OD1 3.18Å; R451-D460 IonicContact NH2-OD2 3.7Å
452H92.3Very high93.5Very high64 Ų6438 Ų3830%0.29620%0.197SC..Hα-helixtrans-70.4-42.6178.9-166.691.9000111.7D409 S448 F449D409-H452 HydrophobicContact CB-CB 4.01Å; D409-H452 PolarHBondContact O-CD2 2.98Å; D409-H452 PolarHBondContact O-NE2 3.26Å; S448-H452 WeakPolarHBondContact O-CB 3.47Å; S448-H452 PolarHBondContact O-N 3.19Å; F449-H452 PolarHBondContact O-N 3.31Å
453R92.2Very high93Very high64 Ų6438.2 Ų38.224%0.24220%0.198CC..Hα-helixtrans-73.6-37.5-175.3-174.265.777.4114.31.2113.1Y411 S412 G413 F449Y411-R453 PolarHBondContact O-NH2 3.2Å; S412-R453 PolarHBondContact O-NH1 3.18Å; S412-R453 PolarHBondContact O-NH2 2.82Å; G413-R453 PolarHBondContact O-NH2 3.14Å; F449-R453 HydrophobicContact CE2-CB 4.45Å; F449-R453 HydrophobicContact CZ-CG 4.47Å; F449-R453 WeakPolarHBondContact O-CB 3.37Å; F449-R453 PolarHBondContact O-N 3.37Å
454Y93Very high92.6Very high21 Ų2143.9 Ų43.98%0.08222%0.224CC..  trans-131.963.3-175.1-50-74.8000111.5L450 L456 I457 F458 F496 L517 H521L450-Y454 HydrophobicContact CD2-CD2 4.01Å; L450-Y454 HydrophobicContact CD2-CE2 4.01Å; L450-Y454 PolarHBondContact O-N 3.27Å; Y454-L456 PolarHBondContact O-N 3.27Å; Y454-L456 VanDerWaalsContact O-N 3.11Å; Y454-I457 PolarHBondContact O-N 3.23Å; Y454-F458 HydrophobicContact CD2-CE2 4.35Å; Y454-F458 PolarHBondContact O-N 3.42Å; Y454-F496 HydrophobicContact CD1-CB 4.16Å; Y454-F496 HydrophobicContact CD1-CD2 4.48Å; Y454-F496 HydrophobicContact CE1-CD2 4.31Å; Y454-L517 HydrophobicContact CD1-CD1 4.03Å; Y454-L517 HydrophobicContact CD1-CD2 4.22Å; Y454-L517 HydrophobicContact CD2-CB 4.45Å; Y454-L517 HydrophobicContact CD2-CD1 3.94Å; Y454-L517 HydrophobicContact CD2-CD2 4.33Å; Y454-L517 HydrophobicContact CD2-CG 4.48Å; Y454-L517 HydrophobicContact CE1-CD1 4.48Å; Y454-L517 HydrophobicContact CE1-CD2 3.83Å; Y454-L517 HydrophobicContact CE2-CB 4.4Å; Y454-L517 HydrophobicContact CE2-CD1 4.39Å; Y454-L517 HydrophobicContact CE2-CD2 3.95Å; Y454-L517 HydrophobicContact CE2-CG 4.49Å; Y454-L517 HydrophobicContact CG-CD1 3.74Å; Y454-L517 HydrophobicContact CG-CD2 4.45Å; Y454-H521 AromaticContact CE2-CD2 3.87Å; Y454-H521 AromaticContact CE2-NE2 3.53Å; Y454-H521 AromaticContact CZ-NE2 3.6Å; Y454-H521 PolarHBondContact OH-NE2 3.02Å
455P91.8Very high92.1Very high84 Ų8445.6 Ų45.655%0.54523%0.233SC..THydrogen-bonded Turntrans-65-19.9-171.526.4-36.3000114.2R451 I457R451-P455 WeakPolarHBondContact O-CA 3.31Å; P455-I457 VanDerWaalsContact C-N 3.3Å
456L91.1Very high91.7Very high70 Ų7045.7 Ų45.737%0.36623%0.233SC..THydrogen-bonded Turntrans-78-16.1174.9-63.6177.2000113.2Y454 F496 S497 M502Y454-L456 PolarHBondContact O-N 3.27Å; Y454-L456 VanDerWaalsContact O-N 3.11Å; L456-F496 WeakPolarHBondContact CD1-O 3.35Å; L456-S497 WeakPolarHBondContact CD1-O 3.34Å; L456-M502 HydrophobicContact CB-CB 4.2Å; L456-M502 HydrophobicContact CB-CG 4.13Å; L456-M502 HydrophobicContact CD1-CB 4.4Å; L456-M502 HydrophobicContact CD1-CG 4.16Å
457I90.2Very high91.5Very high0 Ų049.8 Ų49.80%025%0.249CC..THydrogen-bonded Turntrans-106.4-43178-57.4-59.5000110.6Y454 P455 D459 M502 I505 H510 I513 A514 L517Y454-I457 PolarHBondContact O-N 3.23Å; P455-I457 VanDerWaalsContact C-N 3.3Å; I457-D459 PolarHBondContact O-N 3.18Å; I457-M502 HydrophobicContact CD1-CG 4.4Å; I457-M502 HydrophobicContact CD1-SD 3.53Å; I457-M502 VanDerWaalsContact CD1-SD 3.53Å; I457-I505 HydrophobicContact CD1-CD1 4.27Å; I457-H510 PolarHBondContact O-NE2 2.96Å; I457-I513 HydrophobicContact CD1-CB 4.46Å; I457-I513 HydrophobicContact CD1-CG2 3.67Å; I457-I513 HydrophobicContact CG1-CG2 3.93Å; I457-I513 HydrophobicContact CG2-CG2 4.22Å; I457-A514 HydrophobicContact CG2-CB 3.62Å; I457-L517 HydrophobicContact CB-CD1 4.29Å; I457-L517 HydrophobicContact CG1-CD1 4.05Å; I457-L517 HydrophobicContact CG2-CD1 4.17Å
458F91.9Very high91.1Very high3 Ų351.1 Ų51.11%0.01326%0.264CS..SBendtrans-103.371.7-178-65.2-88.1000110.3L450 R451 Y454 F462 L466 A514 L517L450-F458 HydrophobicContact CB-CD1 4.12Å; L450-F458 HydrophobicContact CB-CD2 3.83Å; L450-F458 HydrophobicContact CB-CE1 4.16Å; L450-F458 HydrophobicContact CB-CE2 3.85Å; L450-F458 HydrophobicContact CB-CG 3.96Å; L450-F458 HydrophobicContact CB-CZ 4.02Å; L450-F458 HydrophobicContact CD1-CE1 3.96Å; L450-F458 HydrophobicContact CD1-CE2 4.33Å; L450-F458 HydrophobicContact CD1-CZ 3.76Å; L450-F458 HydrophobicContact CD2-CE2 4.24Å; L450-F458 HydrophobicContact CD2-CZ 4.4Å; L450-F458 HydrophobicContact CG-CE2 4.36Å; L450-F458 HydrophobicContact CG-CZ 4.28Å; L450-F458 WeakPolarHBondContact O-CD2 3.35Å; R451-F458 HydrophobicContact CB-CB 4.31Å; Y454-F458 HydrophobicContact CD2-CE2 4.35Å; Y454-F458 PolarHBondContact O-N 3.42Å; F458-F462 AromaticContact CD1-CD1 3.6Å; F458-F462 HydrophobicContact CD1-CD1 3.6Å; F458-F462 HydrophobicContact CD1-CE1 4.12Å; F458-F462 AromaticContact CE1-CD1 3.79Å; F458-F462 HydrophobicContact CE1-CD1 3.79Å; F458-F462 AromaticContact CE1-CE1 3.81Å; F458-F462 HydrophobicContact CE1-CE1 3.81Å; F458-F462 HydrophobicContact CG-CD1 4.47Å; F458-L466 HydrophobicContact CD1-CD2 3.91Å; F458-L466 HydrophobicContact CE1-CD2 3.77Å; F458-A514 HydrophobicContact CE1-CB 3.98Å; F458-A514 HydrophobicContact CE2-CB 4.43Å; F458-A514 HydrophobicContact CZ-CB 3.76Å; F458-L517 HydrophobicContact CE2-CB 4.11Å; F458-L517 HydrophobicContact CE2-CD1 3.99Å; F458-L517 HydrophobicContact CZ-CB 4.37Å
459D88.5Confident90.8Very high72 Ų7249.9 Ų49.939%0.38525%0.254SS..  trans-74.9-179.5169.268.810.2000111.6I457 V461 F462 A463I457-D459 PolarHBondContact O-N 3.18Å; D459-V461 PolarHBondContact O-N 3.24Å; D459-V461 PolarHBondContact OD1-N 3.48Å; D459-V461 VanDerWaalsContact OD1-N 3.15Å; D459-F462 PolarHBondContact O-N 3.34Å; D459-F462 WeakPolarHBondContact OD1-CB 3.38Å; D459-F462 PolarHBondContact OD1-N 3Å; D459-A463 VanDerWaalsContact O-CB 3.24Å; D459-A463 WeakPolarHBondContact O-CB 3.49Å; D459-A463 PolarHBondContact O-N 2.97Å
460D87.5Confident90.7Very high101 Ų10149.8 Ų49.854%0.5425%0.253SS..Hα-helixtrans-58.8-36.5-179-71.6-43.7000112.6R451 E464R451-D460 IonicContact CZ-OD1 2.73Å; R451-D460 IonicContact NH1-OD1 3.75Å; R451-D460 PolarHBondContact NH1-OD1 2.79Å; R451-D460 IonicContact NH2-OD1 3.94Å; R451-D460 PolarHBondContact NH2-OD1 3.18Å; R451-D460 IonicContact NH2-OD2 3.7Å; D460-E464 WeakPolarHBondContact O-CG 3.44Å; D460-E464 PolarHBondContact O-N 3.36Å
461V87.1Confident90.6Very high116 Ų11651.5 Ų51.570%0.70327%0.265SS*.Hα-helixtrans-70.3-44.9-179.4179.50000110.2D459 E464 L465D459-V461 PolarHBondContact O-N 3.24Å; D459-V461 PolarHBondContact OD1-N 3.48Å; D459-V461 VanDerWaalsContact OD1-N 3.15Å; V461-E464 PolarHBondContact O-N 2.85Å; V461-L465 PolarHBondContact O-N 3.09Å; V461-L465 VanDerWaalsContact O-N 3.14Å
462F86.7Confident90.5Very high19 Ų1948.9 Ų48.98%0.08326%0.257CS..Hα-helixtrans-73.8-32.3-178.9-154.7-79.2000112.2F458 D459 E464 L465 L466 H510 K511 A514F458-F462 AromaticContact CD1-CD1 3.6Å; F458-F462 HydrophobicContact CD1-CD1 3.6Å; F458-F462 HydrophobicContact CD1-CE1 4.12Å; F458-F462 AromaticContact CE1-CD1 3.79Å; F458-F462 HydrophobicContact CE1-CD1 3.79Å; F458-F462 AromaticContact CE1-CE1 3.81Å; F458-F462 HydrophobicContact CE1-CE1 3.81Å; F458-F462 HydrophobicContact CG-CD1 4.47Å; D459-F462 PolarHBondContact O-N 3.34Å; D459-F462 WeakPolarHBondContact OD1-CB 3.38Å; D459-F462 PolarHBondContact OD1-N 3Å; F462-E464 VanDerWaalsContact C-N 3.32Å; F462-E464 PolarHBondContact O-N 3.14Å; F462-L465 HydrophobicContact CD2-CD2 4.17Å; F462-L465 HydrophobicContact CE2-CD2 3.81Å; F462-L465 HydrophobicContact CZ-CD2 4.06Å; F462-L465 WeakPolarHBondContact O-CB 3.34Å; F462-L465 PolarHBondContact O-N 2.91Å; F462-L466 WeakPolarHBondContact O-CB 3.39Å; F462-L466 PolarHBondContact O-N 3.45Å; F462-H510 AromaticContact CD2-CD2 3.83Å; F462-H510 AromaticContact CD2-NE2 3.76Å; F462-H510 AromaticContact CE2-CD2 3.99Å; F462-K511 HydrophobicContact CE2-CG 3.83Å; F462-K511 HydrophobicContact CZ-CG 4.4Å; F462-A514 HydrophobicContact CD1-CB 3.99Å; F462-A514 HydrophobicContact CE1-CB 3.14Å; F462-A514 HydrophobicContact CE2-CB 3.99Å; F462-A514 HydrophobicContact CZ-CB 3.14Å
463A88.6Confident90.4Very high3 Ų347.9 Ų47.93%0.02526%0.255CS..Hα-helixtrans-60.2-41.9173.200000111.5V447 D459 L466 R467V447-A463 HydrophobicContact CG1-CB 4.03Å; D459-A463 VanDerWaalsContact O-CB 3.24Å; D459-A463 WeakPolarHBondContact O-CB 3.49Å; D459-A463 PolarHBondContact O-N 2.97Å; A463-L466 PolarHBondContact O-N 3.4Å; A463-R467 WeakPolarHBondContact O-CG 3.35Å; A463-R467 PolarHBondContact O-N 2.9Å
464E88.9Confident90.2Very high123 Ų12346.8 Ų46.858%0.57526%0.256SS*.Hα-helixtrans-67.3-38.9174.3-70.2-56.7117.800112.2D460 V461 F462 L466 R467 G468D460-E464 WeakPolarHBondContact O-CG 3.44Å; D460-E464 PolarHBondContact O-N 3.36Å; V461-E464 PolarHBondContact O-N 2.85Å; F462-E464 VanDerWaalsContact C-N 3.32Å; F462-E464 PolarHBondContact O-N 3.14Å; E464-L466 VanDerWaalsContact C-N 3.35Å; E464-L466 PolarHBondContact O-N 3Å; E464-R467 PolarHBondContact O-N 2.97Å; E464-R467 WeakPolarHBondContact OE1-CD 3.35Å; E464-R467 IonicContact OE1-NE 3.24Å; E464-G468 PolarHBondContact O-N 3.06Å
465L87.6Confident90Very high61 Ų6150.7 Ų50.732%0.31928%0.282SS..Hα-helixtrans-61-43.7172.7-178.665.6000111.6V461 F462 G468 W469 F481V461-L465 PolarHBondContact O-N 3.09Å; V461-L465 VanDerWaalsContact O-N 3.14Å; F462-L465 HydrophobicContact CD2-CD2 4.17Å; F462-L465 HydrophobicContact CE2-CD2 3.81Å; F462-L465 HydrophobicContact CZ-CD2 4.06Å; F462-L465 WeakPolarHBondContact O-CB 3.34Å; F462-L465 PolarHBondContact O-N 2.91Å; L465-G468 PolarHBondContact O-N 3.37Å; L465-W469 WeakPolarHBondContact O-CB 3.49Å; L465-W469 PolarHBondContact O-N 2.85Å; L465-F481 HydrophobicContact CD1-CE1 4.47Å
466L91.1Very high89.9Confident1 Ų149.7 Ų49.71%0.00527%0.272CS..Hα-helixtrans-62.1-42.7176.6173.861.8000111.2I446 V447 L450 F458 F462 A463 E464 G468 W469 L470 F518I446-L466 HydrophobicContact CG2-CD2 4.44Å; V447-L466 HydrophobicContact CB-CD2 4.49Å; V447-L466 HydrophobicContact CG2-CD2 3.8Å; V447-L466 HydrophobicContact CG2-CG 3.99Å; L450-L466 HydrophobicContact CD1-CD2 3.88Å; F458-L466 HydrophobicContact CD1-CD2 3.91Å; F458-L466 HydrophobicContact CE1-CD2 3.77Å; F462-L466 WeakPolarHBondContact O-CB 3.39Å; F462-L466 PolarHBondContact O-N 3.45Å; A463-L466 PolarHBondContact O-N 3.4Å; E464-L466 VanDerWaalsContact C-N 3.35Å; E464-L466 PolarHBondContact O-N 3Å; L466-G468 PolarHBondContact O-N 2.98Å; L466-W469 HydrophobicContact CD1-CE3 3.57Å; L466-W469 HydrophobicContact CD1-CZ3 3.99Å; L466-W469 PolarHBondContact O-N 3.49Å; L466-L470 HydrophobicContact CD1-CD1 3.99Å; L466-L470 HydrophobicContact CD1-CG 3.99Å; L466-L470 HydrophobicContact CG-CD1 3.98Å; L466-L470 HydrophobicContact CG-CG 4.4Å; L466-L470 WeakPolarHBondContact O-CB 3.29Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.43Å; L466-L470 PolarHBondContact O-N 3.26Å; L466-F518 HydrophobicContact CD1-CD2 4.15Å
467R92.1Very high89.9Confident87 Ų8746.8 Ų46.833%0.32826%0.257SS..Hα-helixtrans-58.8-46.8173.3-73.5177.9-177.2-75.2-0.7111.7D444 V447 A463 E464 W469 L470 S471D444-R467 IonicContact OD1-CZ 2.69Å; D444-R467 IonicContact OD1-NH1 3.69Å; D444-R467 PolarHBondContact OD1-NH1 3.48Å; D444-R467 IonicContact OD1-NH2 3.64Å; V447-R467 HydrophobicContact CG2-CG 3.74Å; A463-R467 WeakPolarHBondContact O-CG 3.35Å; A463-R467 PolarHBondContact O-N 2.9Å; E464-R467 PolarHBondContact O-N 2.97Å; E464-R467 WeakPolarHBondContact OE1-CD 3.35Å; E464-R467 IonicContact OE1-NE 3.24Å; R467-W469 VanDerWaalsContact C-N 3.32Å; R467-W469 PolarHBondContact O-N 2.95Å; R467-L470 PolarHBondContact O-N 2.88Å; R467-S471 PolarHBondContact O-N 3.48Å
468G90Very high89.7Confident33 Ų3350.6 Ų50.634%0.3428%0.28SS..Hα-helixtrans-57.1-45.6174.100000111.7E464 L465 L466 S471 F472E464-G468 PolarHBondContact O-N 3.06Å; L465-G468 PolarHBondContact O-N 3.37Å; L466-G468 PolarHBondContact O-N 2.98Å; G468-S471 WeakPolarHBondContact O-CB 3.43Å; G468-S471 PolarHBondContact O-N 3.28Å; G468-S471 PolarHBondContact O-OG 3.36Å; G468-F472 WeakPolarHBondContact O-CD2 3.2Å; G468-F472 WeakPolarHBondContact O-CE2 3.24Å
469W90Very high89.5Confident10 Ų1056.1 Ų56.14%0.03831%0.308CS..Hα-helixtrans-65.9-41.1179.6-176.746.1000112.8L465 L466 R467 S471 F472 R477 F481 E485 Y515 F518L465-W469 WeakPolarHBondContact O-CB 3.49Å; L465-W469 PolarHBondContact O-N 2.85Å; L466-W469 HydrophobicContact CD1-CE3 3.57Å; L466-W469 HydrophobicContact CD1-CZ3 3.99Å; L466-W469 PolarHBondContact O-N 3.49Å; R467-W469 VanDerWaalsContact C-N 3.32Å; R467-W469 PolarHBondContact O-N 2.95Å; W469-S471 PolarHBondContact O-N 2.99Å; W469-F472 PolarHBondContact O-N 3.26Å; W469-R477 VanDerWaalsContact CD1-CD 3.4Å; W469-R477 VanDerWaalsContact CD1-CG 3.44Å; W469-R477 HydrophobicContact CG-CG 4.43Å; W469-R477 VanDerWaalsContact NE1-CG 3.27Å; W469-R477 WeakPolarHBondContact O-CD 3.38Å; W469-F481 AromaticContact CD1-CD2 3.43Å; W469-F481 VanDerWaalsContact CD1-CD2 3.43Å; W469-F481 AromaticContact CD1-CE2 3.72Å; W469-F481 AromaticContact CD1-CG 3.89Å; W469-F481 HydrophobicContact CG-CD2 4.49Å; W469-E485 WeakPolarHBondContact CZ2-OE1 3.44Å; W469-Y515 AromaticContact CH2-CD2 3.25Å; W469-Y515 HydrophobicContact CH2-CD2 3.25Å; W469-Y515 AromaticContact CH2-CE2 3.55Å; W469-Y515 HydrophobicContact CH2-CE2 3.55Å; W469-Y515 HydrophobicContact CH2-CG 4.33Å; W469-Y515 AromaticContact CZ2-CD2 3.42Å; W469-Y515 HydrophobicContact CZ2-CD2 3.42Å; W469-Y515 VanDerWaalsContact CZ2-CD2 3.42Å; W469-Y515 AromaticContact CZ2-CE2 3.41Å; W469-Y515 HydrophobicContact CZ2-CE2 3.41Å; W469-Y515 VanDerWaalsContact CZ2-CE2 3.41Å; W469-Y515 HydrophobicContact CZ3-CD2 4.18Å; W469-F518 HydrophobicContact CH2-CB 4.31Å; W469-F518 AromaticContact CH2-CD1 3.16Å; W469-F518 HydrophobicContact CH2-CD1 3.16Å; W469-F518 AromaticContact CH2-CE1 3.48Å; W469-F518 HydrophobicContact CH2-CE1 3.48Å; W469-F518 VanDerWaalsContact CH2-CE1 3.48Å; W469-F518 AromaticContact CH2-CG 3.77Å; W469-F518 HydrophobicContact CH2-CG 3.77Å; W469-F518 HydrophobicContact CH2-CZ 4.33Å; W469-F518 HydrophobicContact CZ2-CD1 4.3Å; W469-F518 HydrophobicContact CZ2-CE1 4.27Å; W469-F518 HydrophobicContact CZ3-CB 3.89Å; W469-F518 AromaticContact CZ3-CD1 3.41Å; W469-F518 HydrophobicContact CZ3-CD1 3.41Å; W469-F518 VanDerWaalsContact CZ3-CD1 3.41Å; W469-F518 HydrophobicContact CZ3-CD2 4.04Å; W469-F518 AromaticContact CZ3-CE1 3.86Å; W469-F518 HydrophobicContact CZ3-CE1 3.86Å; W469-F518 HydrophobicContact CZ3-CE2 4.47Å; W469-F518 AromaticContact CZ3-CG 3.48Å; W469-F518 HydrophobicContact CZ3-CG 3.48Å; W469-F518 VanDerWaalsContact CZ3-CG 3.48Å; W469-F518 HydrophobicContact CZ3-CZ 4.37Å
470L93.8Very high89.4Confident0 Ų056.8 Ų56.80%031%0.311CS..Hα-helixtrans-66.2-19175.4-70171.8000113.2R419 N443 I446 V447 L466 R467 F472 F518R419-L470 PolarHBondContact NH2-O 2.87Å; N443-L470 HydrophobicContact CB-CB 4.39Å; N443-L470 HydrophobicContact CB-CD1 4.04Å; I446-L470 HydrophobicContact CB-CD1 4.45Å; I446-L470 HydrophobicContact CG2-CD1 4.24Å; V447-L470 HydrophobicContact CG2-CD1 4.17Å; L466-L470 HydrophobicContact CD1-CD1 3.99Å; L466-L470 HydrophobicContact CD1-CG 3.99Å; L466-L470 HydrophobicContact CG-CD1 3.98Å; L466-L470 HydrophobicContact CG-CG 4.4Å; L466-L470 WeakPolarHBondContact O-CB 3.29Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.43Å; L466-L470 PolarHBondContact O-N 3.26Å; R467-L470 PolarHBondContact O-N 2.88Å; L470-F472 PolarHBondContact O-N 2.79Å; L470-F518 HydrophobicContact CD2-CE2 3.61Å; L470-F518 HydrophobicContact CD2-CZ 3.82Å
471S93.6Very high89.3Confident36 Ų3654.1 Ų54.125%0.25230%0.295SS..THydrogen-bonded Turntrans-69.8-6.6174.179.60000114.3L437 R467 G468 W469L437-S471 WeakPolarHBondContact CD2-O 3.41Å; R467-S471 PolarHBondContact O-N 3.48Å; G468-S471 WeakPolarHBondContact O-CB 3.43Å; G468-S471 PolarHBondContact O-N 3.28Å; G468-S471 PolarHBondContact O-OG 3.36Å; W469-S471 PolarHBondContact O-N 2.99Å
472F92.4Very high89Confident59 Ų5951.8 Ų51.826%0.25928%0.283SS..SBendtrans-106.8151.7-179.7-68.6-87.5000112.2L437 G468 W469 L470 D476 R477 N480 F481L437-F472 VanDerWaalsContact CD2-C 3.41Å; G468-F472 WeakPolarHBondContact O-CD2 3.2Å; G468-F472 WeakPolarHBondContact O-CE2 3.24Å; W469-F472 PolarHBondContact O-N 3.26Å; L470-F472 PolarHBondContact O-N 2.79Å; F472-D476 HydrophobicContact CB-CB 3.99Å; F472-D476 HydrophobicContact CD1-CB 3.76Å; F472-D476 HydrophobicContact CG-CB 4.34Å; F472-R477 HydrophobicContact CB-CG 3.49Å; F472-R477 VanDerWaalsContact CB-CG 3.49Å; F472-N480 HydrophobicContact CE1-CB 4.36Å; F472-F481 AromaticContact CD2-CE2 3.69Å; F472-F481 HydrophobicContact CD2-CE2 3.69Å; F472-F481 HydrophobicContact CD2-CZ 4.31Å; F472-F481 AromaticContact CE2-CE2 3.77Å; F472-F481 HydrophobicContact CE2-CE2 3.77Å; F472-F481 HydrophobicContact CE2-CZ 4.03Å; F472-F481 HydrophobicContact CG-CE2 4.37Å; F472-F481 HydrophobicContact CZ-CE2 4.47Å
473T90.7Very high88.6Confident42 Ų4257.5 Ų57.526%0.25831%0.314SS..  trans-70.3159169.871.10000109.9L437 V475 D476 R477L437-T473 HydrophobicContact CD2-CG2 3.73Å; T473-V475 PolarHBondContact O-N 2.83Å; T473-V475 VanDerWaalsContact O-N 3.13Å; T473-D476 WeakPolarHBondContact CB-OD2 3.33Å; T473-D476 WeakPolarHBondContact CG2-OD2 3.42Å; T473-D476 PolarHBondContact O-N 2.85Å; T473-D476 PolarHBondContact OG1-N 3.49Å; T473-D476 VanDerWaalsContact OG1-N 3.15Å; T473-D476 PolarHBondContact OG1-OD2 3.17Å; T473-R477 VanDerWaalsContact O-CG 3.32Å; T473-R477 WeakPolarHBondContact O-CG 3.41Å; T473-R477 PolarHBondContact O-N 2.95Å
474P87.8Confident88Confident41 Ų4158.1 Ų58.127%0.26632%0.317SS..Hα-helixtrans-52.1-37.3175.1-2936.4000113.6R477 V478 D524P474-R477 PolarHBondContact O-N 2.71Å; P474-V478 WeakPolarHBondContact O-CG2 3.43Å; P474-V478 PolarHBondContact O-N 3.28Å; P474-D524 HydrophobicContact CG-CB 3.71Å
475V88.7Confident87.2Confident104 Ų10453.9 Ų53.963%0.6330%0.297SS*.Hα-helixtrans-66.6-46.5176.5178.60000111.1T473 R477 V478 I479T473-V475 PolarHBondContact O-N 2.83Å; T473-V475 VanDerWaalsContact O-N 3.13Å; V475-R477 VanDerWaalsContact C-N 3.26Å; V475-R477 PolarHBondContact O-N 3.36Å; V475-V478 PolarHBondContact O-N 2.76Å; V475-I479 HydrophobicContact CG1-CD1 4.45Å; V475-I479 PolarHBondContact O-N 2.77Å
476D90.4Very high86.2Confident62 Ų6254.8 Ų54.833%0.33231%0.314SS..Hα-helixtrans-67.9-29.2179.3-58.6-46.6000111.8F472 T473 I479 N480F472-D476 HydrophobicContact CB-CB 3.99Å; F472-D476 HydrophobicContact CD1-CB 3.76Å; F472-D476 HydrophobicContact CG-CB 4.34Å; T473-D476 WeakPolarHBondContact CB-OD2 3.33Å; T473-D476 WeakPolarHBondContact CG2-OD2 3.42Å; T473-D476 PolarHBondContact O-N 2.85Å; T473-D476 PolarHBondContact OG1-N 3.49Å; T473-D476 VanDerWaalsContact OG1-N 3.15Å; T473-D476 PolarHBondContact OG1-OD2 3.17Å; D476-I479 PolarHBondContact O-N 3.05Å; D476-N480 WeakPolarHBondContact O-CB 3.24Å; D476-N480 PolarHBondContact O-N 3.5Å; D476-N480 PolarHBondContact O-ND2 2.72Å
477R89.5Confident85Confident10 Ų1055.4 Ų55.44%0.03832%0.318CS..Hα-helixtrans-65.7-39.4176.2-71.5-179.1-22.1-151.9-6.7112.1W469 F472 T473 P474 V475 I479 N480 F481 E485 D524W469-R477 VanDerWaalsContact CD1-CD 3.4Å; W469-R477 VanDerWaalsContact CD1-CG 3.44Å; W469-R477 HydrophobicContact CG-CG 4.43Å; W469-R477 VanDerWaalsContact NE1-CG 3.27Å; W469-R477 WeakPolarHBondContact O-CD 3.38Å; F472-R477 HydrophobicContact CB-CG 3.49Å; F472-R477 VanDerWaalsContact CB-CG 3.49Å; T473-R477 VanDerWaalsContact O-CG 3.32Å; T473-R477 WeakPolarHBondContact O-CG 3.41Å; T473-R477 PolarHBondContact O-N 2.95Å; P474-R477 PolarHBondContact O-N 2.71Å; V475-R477 VanDerWaalsContact C-N 3.26Å; V475-R477 PolarHBondContact O-N 3.36Å; R477-I479 PolarHBondContact O-N 2.97Å; R477-N480 PolarHBondContact O-N 3.41Å; R477-F481 CarbonylContact O-C 3.6Å; R477-F481 WeakPolarHBondContact O-CA 3.21Å; R477-F481 WeakPolarHBondContact O-CB 3.4Å; R477-F481 PolarHBondContact O-N 3.1Å; R477-E485 HydrophobicContact CB-CG 4.37Å; R477-E485 WeakPolarHBondContact CB-OE1 3.23Å; R477-E485 IonicContact NE-OE1 3.01Å; R477-E485 PolarHBondContact NE-OE1 2.88Å; R477-D524 IonicContact CZ-OD2 2.92Å; R477-D524 IonicContact NH1-OD1 3.61Å; R477-D524 IonicContact NH1-OD2 3.24Å; R477-D524 PolarHBondContact NH1-OD2 2.96Å; R477-D524 IonicContact NH2-OD2 3.83Å; R477-D524 PolarHBondContact NH2-OD2 2.91Å
478V87.1Confident83.3Confident80 Ų8059.1 Ų59.149%0.48534%0.344SS..Hα-helixtrans-61.6-35.3173.41760000111.4P474 V475 P482 E485P474-V478 WeakPolarHBondContact O-CG2 3.43Å; P474-V478 PolarHBondContact O-N 3.28Å; V475-V478 PolarHBondContact O-N 2.76Å; V478-P482 WeakPolarHBondContact O-CA 3.32Å; V478-E485 HydrophobicContact CG2-CB 4.04Å; V478-E485 HydrophobicContact CG2-CG 3.99Å
479I88.1Confident81.9Confident119 Ų11960.8 Ų60.861%0.6134%0.343SS*.Hα-helixtrans-76.5-44.4179.7-62.7169.4000111.6V475 D476 R477V475-I479 HydrophobicContact CG1-CD1 4.45Å; V475-I479 PolarHBondContact O-N 2.77Å; D476-I479 PolarHBondContact O-N 3.05Å; R477-I479 PolarHBondContact O-N 2.97Å
480N86.4Confident80.5Confident85 Ų8563.8 Ų63.846%0.45538%0.377SS..Hα-helixtrans-87.9-22.7-172.9-70.1-83.2000113.2F472 D476 R477F472-N480 HydrophobicContact CE1-CB 4.36Å; D476-N480 WeakPolarHBondContact O-CB 3.24Å; D476-N480 PolarHBondContact O-N 3.5Å; D476-N480 PolarHBondContact O-ND2 2.72Å; R477-N480 PolarHBondContact O-N 3.41Å
481F84.3Confident79.3Confident45 Ų4565.3 Ų65.320%0.19738%0.384CS..  trans-135.953.7-177.3-51.3-88.8000112.3L465 W469 F472 R477 D483 L484 E485L465-F481 HydrophobicContact CD1-CE1 4.47Å; W469-F481 AromaticContact CD1-CD2 3.43Å; W469-F481 VanDerWaalsContact CD1-CD2 3.43Å; W469-F481 AromaticContact CD1-CE2 3.72Å; W469-F481 AromaticContact CD1-CG 3.89Å; W469-F481 HydrophobicContact CG-CD2 4.49Å; F472-F481 AromaticContact CD2-CE2 3.69Å; F472-F481 HydrophobicContact CD2-CE2 3.69Å; F472-F481 HydrophobicContact CD2-CZ 4.31Å; F472-F481 AromaticContact CE2-CE2 3.77Å; F472-F481 HydrophobicContact CE2-CE2 3.77Å; F472-F481 HydrophobicContact CE2-CZ 4.03Å; F472-F481 HydrophobicContact CG-CE2 4.37Å; F472-F481 HydrophobicContact CZ-CE2 4.47Å; R477-F481 CarbonylContact O-C 3.6Å; R477-F481 WeakPolarHBondContact O-CA 3.21Å; R477-F481 WeakPolarHBondContact O-CB 3.4Å; R477-F481 PolarHBondContact O-N 3.1Å; F481-D483 PolarHBondContact O-N 3.42Å; F481-L484 HydrophobicContact CB-CB 4.19Å; F481-L484 HydrophobicContact CB-CD1 3.86Å; F481-L484 HydrophobicContact CB-CG 4.06Å; F481-L484 HydrophobicContact CD1-CD1 4.02Å; F481-L484 HydrophobicContact CG-CD1 4.19Å; F481-L484 PolarHBondContact O-N 3.43Å; F481-E485 PolarHBondContact O-N 2.9Å
482P81.6Confident77.8Confident68 Ų6867.9 Ų67.944%0.44240%0.401SS..Hα-helixtrans-58.6-34.8-174.224.5-34.9000113.1V478 L484 E485 A486V478-P482 WeakPolarHBondContact O-CA 3.32Å; P482-L484 VanDerWaalsContact C-N 3.28Å; P482-L484 PolarHBondContact O-N 3.43Å; P482-E485 PolarHBondContact O-N 3.41Å; P482-A486 VanDerWaalsContact O-CB 3.27Å; P482-A486 WeakPolarHBondContact O-CB 3.14Å; P482-A486 PolarHBondContact O-N 2.9Å
483D77.3Confident76.2Confident139 Ų13971.6 Ų71.674%0.74343%0.429SS*.Hα-helixtrans-67.2-27.5179.7-63.1-28.8000113.2F481F481-D483 PolarHBondContact O-N 3.42Å
484L76.1Confident75.2Confident16 Ų1671.6 Ų71.68%0.08443%0.429CS..Hα-helixtrans-79-49.5176.9-60-175.2000110.4F481 P482 A486 S487 K511 Y515F481-L484 HydrophobicContact CB-CB 4.19Å; F481-L484 HydrophobicContact CB-CD1 3.86Å; F481-L484 HydrophobicContact CB-CG 4.06Å; F481-L484 HydrophobicContact CD1-CD1 4.02Å; F481-L484 HydrophobicContact CG-CD1 4.19Å; F481-L484 PolarHBondContact O-N 3.43Å; P482-L484 VanDerWaalsContact C-N 3.28Å; P482-L484 PolarHBondContact O-N 3.43Å; L484-A486 VanDerWaalsContact C-N 3.34Å; L484-A486 PolarHBondContact O-N 3.27Å; L484-S487 WeakPolarHBondContact O-CB 2.97Å; L484-S487 PolarHBondContact O-N 3.23Å; L484-S487 PolarHBondContact O-OG 3.43Å; L484-K511 HydrophobicContact CD2-CB 3.4Å; L484-K511 VanDerWaalsContact CD2-CB 3.4Å; L484-K511 HydrophobicContact CD2-CD 4.08Å; L484-K511 HydrophobicContact CD2-CG 3.85Å; L484-Y515 HydrophobicContact CB-CD2 4.14Å; L484-Y515 WeakPolarHBondContact O-CD1 3.31Å
485E72.6Confident74.7Confident33 Ų3373.6 Ų73.615%0.15444%0.437CS..Hα-helixtrans-72.6-23.4-174-65.3-83.5176.900113W469 R477 V478 F481 P482 S487 Y515W469-E485 WeakPolarHBondContact CZ2-OE1 3.44Å; R477-E485 HydrophobicContact CB-CG 4.37Å; R477-E485 WeakPolarHBondContact CB-OE1 3.23Å; R477-E485 IonicContact NE-OE1 3.01Å; R477-E485 PolarHBondContact NE-OE1 2.88Å; V478-E485 HydrophobicContact CG2-CB 4.04Å; V478-E485 HydrophobicContact CG2-CG 3.99Å; F481-E485 PolarHBondContact O-N 2.9Å; P482-E485 PolarHBondContact O-N 3.41Å; E485-S487 PolarHBondContact O-N 3.3Å; E485-Y515 HydrophobicContact CB-CE2 4.46Å; E485-Y515 VanDerWaalsContact CD-CE2 3.42Å; E485-Y515 HydrophobicContact CG-CE2 4.04Å; E485-Y515 WeakPolarHBondContact OE2-CE2 3.4Å; E485-Y515 VanDerWaalsContact OE2-CZ 3.3Å; E485-Y515 PolarHBondContact OE2-OH 3.43Å
486A67.5Low74.4Confident81 Ų8169.4 Ų69.467%0.66941%0.41SS*.THydrogen-bonded Turntrans-76.9-5.9175.600000114P482 L484 N488P482-A486 VanDerWaalsContact O-CB 3.27Å; P482-A486 WeakPolarHBondContact O-CB 3.14Å; P482-A486 PolarHBondContact O-N 2.9Å; L484-A486 VanDerWaalsContact C-N 3.34Å; L484-A486 PolarHBondContact O-N 3.27Å; A486-N488 PolarHBondContact O-N 2.97Å
487S65.4Low74Confident14 Ų1470.7 Ų70.710%0.09842%0.424CS..  trans-83.995.9-172.169.20000113.1L484 E485 E489 Y515L484-S487 WeakPolarHBondContact O-CB 2.97Å; L484-S487 PolarHBondContact O-N 3.23Å; L484-S487 PolarHBondContact O-OG 3.43Å; E485-S487 PolarHBondContact O-N 3.3Å; S487-E489 VanDerWaalsContact C-N 3.29Å; S487-E489 PolarHBondContact O-N 3.43Å; S487-Y515 WeakPolarHBondContact OG-CD1 3.41Å
488N55.6Low73.7Confident164 Ų16472.3 Ų72.388%0.87743%0.434SS*.  trans-9242169.6-77.2-18.9000112.1A486 G490A486-N488 PolarHBondContact O-N 2.97Å; N488-G490 PolarHBondContact O-N 2.95Å
489E60.9Low73.6Confident69 Ų6972.1 Ų72.132%0.32244%0.436SS..  trans-77.6127.2-177.5-74.1-171.1156.500111.6S487 F491 R512S487-E489 VanDerWaalsContact C-N 3.29Å; S487-E489 PolarHBondContact O-N 3.43Å; E489-F491 VanDerWaalsContact C-N 3.32Å; E489-F491 HydrophobicContact CB-CD2 3.72Å; E489-F491 HydrophobicContact CB-CE2 3.36Å; E489-F491 HydrophobicContact CB-CZ 3.93Å; E489-F491 HydrophobicContact CG-CE2 4.26Å; E489-F491 HydrophobicContact CG-CZ 4.49Å; E489-F491 PolarHBondContact O-N 2.87Å; E489-F491 WeakPolarHBondContact OE2-CE2 3.43Å; E489-F491 WeakPolarHBondContact OE2-CZ 3.43Å; E489-R512 VanDerWaalsContact CD-NH1 3.3Å; E489-R512 IonicContact OE1-CZ 2.69Å; E489-R512 IonicContact OE1-NH1 3.42Å; E489-R512 PolarHBondContact OE1-NH1 2.89Å; E489-R512 IonicContact OE1-NH2 2.71Å; E489-R512 PolarHBondContact OE1-NH2 2.9Å; E489-R512 IonicContact OE2-CZ 2.74Å; E489-R512 VanDerWaalsContact OE2-CZ 3.22Å; E489-R512 IonicContact OE2-NE 3.37Å; E489-R512 PolarHBondContact OE2-NE 2.79Å; E489-R512 IonicContact OE2-NH1 3.14Å; E489-R512 PolarHBondContact OE2-NH1 3.36Å; E489-R512 IonicContact OE2-NH2 3.04Å; E489-R512 PolarHBondContact OE2-NH2 3.31Å
490G60.6Low73.5Confident72 Ų7268.9 Ų68.974%0.74243%0.427SS*.  trans-76.977.917400000111.3N488 S492N488-G490 PolarHBondContact O-N 2.95Å; G490-S492 PolarHBondContact O-N 3.46Å
491F68.2Low73.4Confident33 Ų3370 Ų7015%0.14543%0.428CS..  trans-81.313.8174.4-70.3-69.4000114E489 V493 T494 F496 R512 I513 F516E489-F491 VanDerWaalsContact C-N 3.32Å; E489-F491 HydrophobicContact CB-CD2 3.72Å; E489-F491 HydrophobicContact CB-CE2 3.36Å; E489-F491 HydrophobicContact CB-CZ 3.93Å; E489-F491 HydrophobicContact CG-CE2 4.26Å; E489-F491 HydrophobicContact CG-CZ 4.49Å; E489-F491 PolarHBondContact O-N 2.87Å; E489-F491 WeakPolarHBondContact OE2-CE2 3.43Å; E489-F491 WeakPolarHBondContact OE2-CZ 3.43Å; F491-V493 PolarHBondContact O-N 2.85Å; F491-T494 WeakPolarHBondContact O-CB 3.4Å; F491-T494 PolarHBondContact O-N 2.73Å; F491-T494 PolarHBondContact O-OG1 3.46Å; F491-T494 VanDerWaalsContact O-OG1 3.08Å; F491-F496 HydrophobicContact CB-CE1 4.36Å; F491-F496 HydrophobicContact CB-CZ 3.94Å; F491-R512 HydrophobicContact CE2-CB 4.29Å; F491-I513 HydrophobicContact CD1-CD1 4.48Å; F491-I513 HydrophobicContact CD1-CG1 3.98Å; F491-I513 HydrophobicContact CD2-CG1 3.98Å; F491-I513 HydrophobicContact CE1-CD1 4.06Å; F491-I513 HydrophobicContact CE1-CG1 3.66Å; F491-I513 HydrophobicContact CE2-CG1 3.64Å; F491-I513 HydrophobicContact CG-CG1 4.12Å; F491-I513 HydrophobicContact CZ-CD1 4.21Å; F491-I513 HydrophobicContact CZ-CG1 3.46Å; F491-I513 VanDerWaalsContact CZ-CG1 3.46Å; F491-F516 HydrophobicContact CB-CD1 3.8Å; F491-F516 HydrophobicContact CB-CE1 3.87Å; F491-F516 HydrophobicContact CB-CG 4.25Å; F491-F516 HydrophobicContact CB-CZ 4.38Å; F491-F516 HydrophobicContact CD2-CB 4.12Å; F491-F516 HydrophobicContact CD2-CD1 4.39Å; F491-F516 HydrophobicContact CD2-CG 4.19Å
492S62.7Low73.4Confident89 Ų8968.6 Ų68.662%0.62242%0.422SS*.THydrogen-bonded Turntrans-59.1-10.4-171.759.90000115.9G490G490-S492 PolarHBondContact O-N 3.46Å
493V59.9Low73.5Confident138 Ų13869.9 Ų69.984%0.83643%0.433SS*.THydrogen-bonded Turntrans-115.68.9-179-159.80000112F491F491-V493 PolarHBondContact O-N 2.85Å
494T68.4Low73.8Confident42 Ų4271.5 Ų71.526%0.25843%0.433SS..  trans-87.6121.6-175.8-46.30000110.6F491 F496 M502F491-T494 WeakPolarHBondContact O-CB 3.4Å; F491-T494 PolarHBondContact O-N 2.73Å; F491-T494 PolarHBondContact O-OG1 3.46Å; F491-T494 VanDerWaalsContact O-OG1 3.08Å; T494-F496 HydrophobicContact CG2-CD1 4.02Å; T494-F496 HydrophobicContact CG2-CE1 3.89Å; T494-F496 VanDerWaalsContact O-CD2 3.31Å; T494-F496 WeakPolarHBondContact O-CD2 3.43Å; T494-F496 WeakPolarHBondContact O-CE2 3.37Å; T494-F496 PolarHBondContact O-N 3.12Å; T494-F496 VanDerWaalsContact O-N 3.09Å; T494-M502 HydrophobicContact CG2-CE 3.9Å
495D77.5Confident74.2Confident82 Ų8272.9 Ų72.944%0.43944%0.44SS..  trans-74.296.8165.8-177.20.7000109.5S497 D498D495-S497 PolarHBondContact O-N 2.95Å; D495-S497 VanDerWaalsContact OD1-CB 3.31Å; D495-S497 WeakPolarHBondContact OD1-CB 3.32Å; D495-S497 PolarHBondContact OD1-N 3.14Å; D495-S497 PolarHBondContact OD1-OG 3.28Å; D495-S497 PolarHBondContact OD2-OG 2.95Å; D495-D498 HydrophobicContact CB-CB 4.5Å; D495-D498 PolarHBondContact O-N 3Å
496F83.1Confident74.8Confident16 Ų1674.2 Ų74.27%0.0745%0.453CS..THydrogen-bonded Turntrans-70.1-7.3178.4-56-69.7000113.4Y454 L456 F491 T494 M502 I513 F516 L517Y454-F496 HydrophobicContact CD1-CB 4.16Å; Y454-F496 HydrophobicContact CD1-CD2 4.48Å; Y454-F496 HydrophobicContact CE1-CD2 4.31Å; L456-F496 WeakPolarHBondContact CD1-O 3.35Å; F491-F496 HydrophobicContact CB-CE1 4.36Å; F491-F496 HydrophobicContact CB-CZ 3.94Å; T494-F496 HydrophobicContact CG2-CD1 4.02Å; T494-F496 HydrophobicContact CG2-CE1 3.89Å; T494-F496 VanDerWaalsContact O-CD2 3.31Å; T494-F496 WeakPolarHBondContact O-CD2 3.43Å; T494-F496 WeakPolarHBondContact O-CE2 3.37Å; T494-F496 PolarHBondContact O-N 3.12Å; T494-F496 VanDerWaalsContact O-N 3.09Å; F496-M502 HydrophobicContact CD1-SD 4.42Å; F496-I513 HydrophobicContact CD1-CG2 3.69Å; F496-I513 HydrophobicContact CE1-CB 4.47Å; F496-I513 HydrophobicContact CE1-CG1 4.37Å; F496-I513 HydrophobicContact CE1-CG2 3.39Å; F496-I513 HydrophobicContact CZ-CG2 4.36Å; F496-F516 HydrophobicContact CE2-CE1 4.38Å; F496-F516 HydrophobicContact CZ-CD1 4.14Å; F496-F516 HydrophobicContact CZ-CE1 4.01Å; F496-L517 HydrophobicContact CD1-CD1 4.41Å; F496-L517 HydrophobicContact CD2-CD2 3.93Å; F496-L517 HydrophobicContact CE2-CD2 3.63Å; F496-L517 HydrophobicContact CG-CD1 4.46Å; F496-L517 HydrophobicContact CZ-CD2 3.96Å; F496-L517 HydrophobicContact CZ-CG 4.43Å
497S80.7Confident75.6Confident89 Ų8976.9 Ų76.962%0.62245%0.452SS*.THydrogen-bonded Turntrans-86.4-11.4175.178.80000113.2L456 D495 S499L456-S497 WeakPolarHBondContact CD1-O 3.34Å; D495-S497 PolarHBondContact O-N 2.95Å; D495-S497 VanDerWaalsContact OD1-CB 3.31Å; D495-S497 WeakPolarHBondContact OD1-CB 3.32Å; D495-S497 PolarHBondContact OD1-N 3.14Å; D495-S497 PolarHBondContact OD1-OG 3.28Å; D495-S497 PolarHBondContact OD2-OG 2.95Å; S497-S499 PolarHBondContact O-N 2.78Å
498D84.6Confident76.4Confident45 Ų4579.5 Ų79.524%0.24147%0.47CS..  trans-76.792.1179.5-172.5-20000111.3D495 A500 K501 M502D495-D498 HydrophobicContact CB-CB 4.5Å; D495-D498 PolarHBondContact O-N 3Å; D498-A500 PolarHBondContact O-N 3.27Å; D498-A500 VanDerWaalsContact O-N 3.12Å; D498-A500 WeakPolarHBondContact OD1-CB 3.38Å; D498-A500 PolarHBondContact OD1-N 2.87Å; D498-K501 HydrophobicContact CB-CB 4.14Å; D498-K501 HydrophobicContact CB-CD 3.99Å; D498-K501 HydrophobicContact CB-CG 4.22Å; D498-K501 PolarHBondContact O-N 3.23Å; D498-K501 PolarHBondContact OD1-N 3.21Å; D498-K501 WeakPolarHBondContact OD2-CD 3.46Å; D498-K501 WeakPolarHBondContact OD2-CE 3.49Å; D498-K501 VanDerWaalsContact OD2-CG 3.32Å; D498-K501 WeakPolarHBondContact OD2-CG 3.37Å; D498-K501 IonicContact OD2-NZ 3.97Å; D498-K501 PolarHBondContact OD2-NZ 2.95Å; D498-K501 VanDerWaalsContact OD2-NZ 3.14Å; D498-M502 WeakPolarHBondContact O-CG 3.31Å; D498-M502 PolarHBondContact O-N 2.85Å
499S84.9Confident77.7Confident75 Ų7572.4 Ų72.452%0.52443%0.434SS..Hα-helixtrans-51.2-33.7177.261.40000114.3S497 S503S497-S499 PolarHBondContact O-N 2.78Å; S499-S503 VanDerWaalsContact O-CB 3.28Å; S499-S503 WeakPolarHBondContact O-CB 3.41Å; S499-S503 PolarHBondContact O-N 3.22Å; S499-S503 PolarHBondContact O-OG 2.92Å
500A85.4Confident78.8Confident51 Ų5170.8 Ų70.842%0.42143%0.426SS..Hα-helixtrans-77.1-28-177.900000112.7D498 S503 K504D498-A500 PolarHBondContact O-N 3.27Å; D498-A500 VanDerWaalsContact O-N 3.12Å; D498-A500 WeakPolarHBondContact OD1-CB 3.38Å; D498-A500 PolarHBondContact OD1-N 2.87Å; A500-S503 PolarHBondContact O-OG 2.76Å; A500-K504 WeakPolarHBondContact O-CD 3.41Å; A500-K504 WeakPolarHBondContact O-CE 3.47Å; A500-K504 WeakPolarHBondContact O-CG 3.24Å
501K83.4Confident79.9Confident108 Ų10870.4 Ų70.447%0.4740%0.404SS..Hα-helixtrans-75.6-47.2169.3-72.8176.3-169.1149.10110.5D498 S503 K504 I505D498-K501 HydrophobicContact CB-CB 4.14Å; D498-K501 HydrophobicContact CB-CD 3.99Å; D498-K501 HydrophobicContact CB-CG 4.22Å; D498-K501 PolarHBondContact O-N 3.23Å; D498-K501 PolarHBondContact OD1-N 3.21Å; D498-K501 WeakPolarHBondContact OD2-CD 3.46Å; D498-K501 WeakPolarHBondContact OD2-CE 3.49Å; D498-K501 VanDerWaalsContact OD2-CG 3.32Å; D498-K501 WeakPolarHBondContact OD2-CG 3.37Å; D498-K501 IonicContact OD2-NZ 3.97Å; D498-K501 PolarHBondContact OD2-NZ 2.95Å; D498-K501 VanDerWaalsContact OD2-NZ 3.14Å; K501-S503 VanDerWaalsContact C-N 3.31Å; K501-S503 PolarHBondContact O-N 3.25Å; K501-K504 PolarHBondContact O-N 3.12Å; K501-K504 VanDerWaalsContact O-N 3.13Å; K501-I505 WeakPolarHBondContact O-CG2 3.38Å
502M84.8Confident80.7Confident17 Ų1772.3 Ų72.38%0.08441%0.41CS..Hα-helixtrans-65.2-33.6-177.1-63.9-55.2101.800112.2L456 I457 T494 F496 D498 K504 I505L456-M502 HydrophobicContact CB-CB 4.2Å; L456-M502 HydrophobicContact CB-CG 4.13Å; L456-M502 HydrophobicContact CD1-CB 4.4Å; L456-M502 HydrophobicContact CD1-CG 4.16Å; I457-M502 HydrophobicContact CD1-CG 4.4Å; I457-M502 HydrophobicContact CD1-SD 3.53Å; I457-M502 VanDerWaalsContact CD1-SD 3.53Å; T494-M502 HydrophobicContact CG2-CE 3.9Å; F496-M502 HydrophobicContact CD1-SD 4.42Å; D498-M502 WeakPolarHBondContact O-CG 3.31Å; D498-M502 PolarHBondContact O-N 2.85Å; M502-K504 PolarHBondContact O-N 3.34Å; M502-K504 VanDerWaalsContact O-N 3.13Å; M502-I505 HydrophobicContact CE-CG2 4.46Å; M502-I505 VanDerWaalsContact O-CG1 3.27Å; M502-I505 WeakPolarHBondContact O-CG1 3.48Å; M502-I505 PolarHBondContact O-N 3.37Å; M502-I505 HydrophobicContact SD-CD1 4.27Å
503S84Confident81.8Confident95 Ų9568.2 Ų68.266%0.66438%0.382SS*.THydrogen-bonded Turntrans-68.7-10.1176.774.60000114.7S499 A500 K501S499-S503 VanDerWaalsContact O-CB 3.28Å; S499-S503 WeakPolarHBondContact O-CB 3.41Å; S499-S503 PolarHBondContact O-N 3.22Å; S499-S503 PolarHBondContact O-OG 2.92Å; A500-S503 PolarHBondContact O-OG 2.76Å; K501-S503 VanDerWaalsContact C-N 3.31Å; K501-S503 PolarHBondContact O-N 3.25Å
504K84.3Confident83.1Confident172 Ų17261.8 Ų61.875%0.74834%0.343SS*.THydrogen-bonded Turntrans-107.2-5-175.8-66.7177.9-174.1174.30113.4A500 K501 M502A500-K504 WeakPolarHBondContact O-CD 3.41Å; A500-K504 WeakPolarHBondContact O-CE 3.47Å; A500-K504 WeakPolarHBondContact O-CG 3.24Å; K501-K504 PolarHBondContact O-N 3.12Å; K501-K504 VanDerWaalsContact O-N 3.13Å; M502-K504 PolarHBondContact O-N 3.34Å; M502-K504 VanDerWaalsContact O-N 3.13Å
505I84.1Confident83.9Confident46 Ų4661.2 Ų61.224%0.23634%0.336CS..SBendtrans-74.5147.2-17973.3-167.8000110I457 K501 M502 A509 H510 I513I457-I505 HydrophobicContact CD1-CD1 4.27Å; K501-I505 WeakPolarHBondContact O-CG2 3.38Å; M502-I505 HydrophobicContact CE-CG2 4.46Å; M502-I505 VanDerWaalsContact O-CG1 3.27Å; M502-I505 WeakPolarHBondContact O-CG1 3.48Å; M502-I505 PolarHBondContact O-N 3.37Å; M502-I505 HydrophobicContact SD-CD1 4.27Å; I505-A509 HydrophobicContact CB-CB 4.07Å; I505-H510 HydrophobicContact CD1-CB 3.75Å; I505-H510 HydrophobicContact CG1-CB 4.05Å; I505-I513 HydrophobicContact CD1-CD1 4.12Å
506S85.9Confident84.4Confident61 Ų6159.1 Ų59.143%0.42732%0.323SS..  trans-69.4158.3170.561.10000110.6S508 A509 H510S506-S508 PolarHBondContact O-N 3.06Å; S506-S508 PolarHBondContact OG-OG 3.4Å; S506-A509 PolarHBondContact O-N 2.88Å; S506-A509 WeakPolarHBondContact OG-CB 3.39Å; S506-A509 PolarHBondContact OG-N 3.12Å; S506-A509 VanDerWaalsContact OG-N 3.1Å; S506-H510 PolarHBondContact O-N 2.8Å
507E83.4Confident84.8Confident137 Ų13758.3 Ų58.364%0.6432%0.32SS*.Hα-helixtrans-54-37.8172.6-170.2-169.1151.700111.9H510 K511E507-H510 WeakPolarHBondContact O-CB 3.23Å; E507-H510 PolarHBondContact O-N 3.46Å; E507-K511 WeakPolarHBondContact O-CB 3.39Å; E507-K511 WeakPolarHBondContact O-CG 3.28Å; E507-K511 PolarHBondContact O-N 2.83Å; E507-K511 VanDerWaalsContact OE1-CE 3.32Å; E507-K511 WeakPolarHBondContact OE1-CE 3.4Å; E507-K511 IonicContact OE1-NZ 2.74Å; E507-K511 PolarHBondContact OE1-NZ 3.2Å
508S81.8Confident85.2Confident68 Ų6854.2 Ų54.248%0.47629%0.291SS..Hα-helixtrans-66.3-38.3174.9580000113.2S506 R512S506-S508 PolarHBondContact O-N 3.06Å; S506-S508 PolarHBondContact OG-OG 3.4Å; S508-R512 VanDerWaalsContact O-CG 3.27Å; S508-R512 WeakPolarHBondContact O-CG 3.36Å; S508-R512 PolarHBondContact O-N 3.33Å; S508-R512 PolarHBondContact O-NE 3.43Å
509A82.9Confident85.4Confident15 Ų1554.9 Ų54.912%0.12430%0.297CS..Hα-helixtrans-70.5-40.7175.900000111.3I505 S506 K511 R512 I513I505-A509 HydrophobicContact CB-CB 4.07Å; S506-A509 PolarHBondContact O-N 2.88Å; S506-A509 WeakPolarHBondContact OG-CB 3.39Å; S506-A509 PolarHBondContact OG-N 3.12Å; S506-A509 VanDerWaalsContact OG-N 3.1Å; A509-K511 PolarHBondContact O-N 3.33Å; A509-R512 PolarHBondContact O-N 2.86Å; A509-I513 WeakPolarHBondContact O-CG1 3.26Å; A509-I513 PolarHBondContact O-N 3.28Å
510H84.8Confident85.7Confident36 Ų3653.3 Ų53.317%0.16729%0.286CS..Hα-helixtrans-54.3-52.5173.5-167.7150000111.2I457 F462 I505 S506 E507 R512 I513 A514I457-H510 PolarHBondContact O-NE2 2.96Å; F462-H510 AromaticContact CD2-CD2 3.83Å; F462-H510 AromaticContact CD2-NE2 3.76Å; F462-H510 AromaticContact CE2-CD2 3.99Å; I505-H510 HydrophobicContact CD1-CB 3.75Å; I505-H510 HydrophobicContact CG1-CB 4.05Å; S506-H510 PolarHBondContact O-N 2.8Å; E507-H510 WeakPolarHBondContact O-CB 3.23Å; E507-H510 PolarHBondContact O-N 3.46Å; H510-R512 VanDerWaalsContact C-N 3.34Å; H510-R512 PolarHBondContact O-N 3.34Å; H510-I513 PolarHBondContact O-N 3.1Å; H510-A514 WeakPolarHBondContact O-CB 3.48Å; H510-A514 PolarHBondContact O-N 2.85Å
511K83.5Confident86.2Confident64 Ų6451.1 Ų51.128%0.27827%0.267SS..Hα-helixtrans-54.9-44176.8-90.3178.3-167.1171.50113.5F462 L484 E507 A509 A514 Y515F462-K511 HydrophobicContact CE2-CG 3.83Å; F462-K511 HydrophobicContact CZ-CG 4.4Å; L484-K511 HydrophobicContact CD2-CB 3.4Å; L484-K511 VanDerWaalsContact CD2-CB 3.4Å; L484-K511 HydrophobicContact CD2-CD 4.08Å; L484-K511 HydrophobicContact CD2-CG 3.85Å; E507-K511 WeakPolarHBondContact O-CB 3.39Å; E507-K511 WeakPolarHBondContact O-CG 3.28Å; E507-K511 PolarHBondContact O-N 2.83Å; E507-K511 VanDerWaalsContact OE1-CE 3.32Å; E507-K511 WeakPolarHBondContact OE1-CE 3.4Å; E507-K511 IonicContact OE1-NZ 2.74Å; E507-K511 PolarHBondContact OE1-NZ 3.2Å; A509-K511 PolarHBondContact O-N 3.33Å; K511-A514 PolarHBondContact O-N 3.44Å; K511-Y515 PolarHBondContact O-N 3.4Å
512R83.9Confident86.8Confident72 Ų7246.4 Ų46.427%0.27225%0.247SC..Hα-helixtrans-70.4-40.1178.3-68.3-178.6-66.9162.517.4112.8E489 F491 S508 A509 H510 A514 Y515 F516E489-R512 VanDerWaalsContact CD-NH1 3.3Å; E489-R512 IonicContact OE1-CZ 2.69Å; E489-R512 IonicContact OE1-NH1 3.42Å; E489-R512 PolarHBondContact OE1-NH1 2.89Å; E489-R512 IonicContact OE1-NH2 2.71Å; E489-R512 PolarHBondContact OE1-NH2 2.9Å; E489-R512 IonicContact OE2-CZ 2.74Å; E489-R512 VanDerWaalsContact OE2-CZ 3.22Å; E489-R512 IonicContact OE2-NE 3.37Å; E489-R512 PolarHBondContact OE2-NE 2.79Å; E489-R512 IonicContact OE2-NH1 3.14Å; E489-R512 PolarHBondContact OE2-NH1 3.36Å; E489-R512 IonicContact OE2-NH2 3.04Å; E489-R512 PolarHBondContact OE2-NH2 3.31Å; F491-R512 HydrophobicContact CE2-CB 4.29Å; S508-R512 VanDerWaalsContact O-CG 3.27Å; S508-R512 WeakPolarHBondContact O-CG 3.36Å; S508-R512 PolarHBondContact O-N 3.33Å; S508-R512 PolarHBondContact O-NE 3.43Å; A509-R512 PolarHBondContact O-N 2.86Å; H510-R512 VanDerWaalsContact C-N 3.34Å; H510-R512 PolarHBondContact O-N 3.34Å; R512-A514 VanDerWaalsContact C-N 3.34Å; R512-Y515 PolarHBondContact O-N 2.78Å; R512-F516 WeakPolarHBondContact O-CB 3.49Å; R512-F516 PolarHBondContact O-N 3.29Å
513I86.9Confident87.3Confident4 Ų447.8 Ų47.82%0.02125%0.254CS..Hα-helixtrans-60.2-46.7173.2-72.3167.9000110.3I457 F491 F496 I505 A509 H510 Y515 F516 L517I457-I513 HydrophobicContact CD1-CB 4.46Å; I457-I513 HydrophobicContact CD1-CG2 3.67Å; I457-I513 HydrophobicContact CG1-CG2 3.93Å; I457-I513 HydrophobicContact CG2-CG2 4.22Å; F491-I513 HydrophobicContact CD1-CD1 4.48Å; F491-I513 HydrophobicContact CD1-CG1 3.98Å; F491-I513 HydrophobicContact CD2-CG1 3.98Å; F491-I513 HydrophobicContact CE1-CD1 4.06Å; F491-I513 HydrophobicContact CE1-CG1 3.66Å; F491-I513 HydrophobicContact CE2-CG1 3.64Å; F491-I513 HydrophobicContact CG-CG1 4.12Å; F491-I513 HydrophobicContact CZ-CD1 4.21Å; F491-I513 HydrophobicContact CZ-CG1 3.46Å; F491-I513 VanDerWaalsContact CZ-CG1 3.46Å; F496-I513 HydrophobicContact CD1-CG2 3.69Å; F496-I513 HydrophobicContact CE1-CB 4.47Å; F496-I513 HydrophobicContact CE1-CG1 4.37Å; F496-I513 HydrophobicContact CE1-CG2 3.39Å; F496-I513 HydrophobicContact CZ-CG2 4.36Å; I505-I513 HydrophobicContact CD1-CD1 4.12Å; A509-I513 WeakPolarHBondContact O-CG1 3.26Å; A509-I513 PolarHBondContact O-N 3.28Å; H510-I513 PolarHBondContact O-N 3.1Å; I513-Y515 VanDerWaalsContact C-N 3.34Å; I513-Y515 PolarHBondContact O-N 3.24Å; I513-F516 WeakPolarHBondContact O-CB 3.36Å; I513-F516 PolarHBondContact O-N 2.99Å; I513-L517 HydrophobicContact CG2-CD1 3.87Å; I513-L517 HydrophobicContact CG2-CG 4.29Å; I513-L517 WeakPolarHBondContact O-CG 3.19Å; I513-L517 PolarHBondContact O-N 2.9Å
514A87.1Confident87.8Confident2 Ų245 Ų452%0.01723%0.232CC..Hα-helixtrans-63.4-40.3179.500000112.5I457 F458 F462 H510 K511 R512 L517 F518I457-A514 HydrophobicContact CG2-CB 3.62Å; F458-A514 HydrophobicContact CE1-CB 3.98Å; F458-A514 HydrophobicContact CE2-CB 4.43Å; F458-A514 HydrophobicContact CZ-CB 3.76Å; F462-A514 HydrophobicContact CD1-CB 3.99Å; F462-A514 HydrophobicContact CE1-CB 3.14Å; F462-A514 HydrophobicContact CE2-CB 3.99Å; F462-A514 HydrophobicContact CZ-CB 3.14Å; H510-A514 WeakPolarHBondContact O-CB 3.48Å; H510-A514 PolarHBondContact O-N 2.85Å; K511-A514 PolarHBondContact O-N 3.44Å; R512-A514 VanDerWaalsContact C-N 3.34Å; A514-L517 PolarHBondContact O-N 3.23Å; A514-F518 WeakPolarHBondContact O-CB 3.48Å; A514-F518 PolarHBondContact O-N 3.06Å
515Y85.8Confident88.3Confident31 Ų3137.3 Ų37.312%0.12220%0.2CC..Hα-helixtrans-61.7-45.4173.3178.7-91.9000111.9W469 L484 E485 S487 K511 R512 I513 L517 F518 T519W469-Y515 AromaticContact CH2-CD2 3.25Å; W469-Y515 HydrophobicContact CH2-CD2 3.25Å; W469-Y515 AromaticContact CH2-CE2 3.55Å; W469-Y515 HydrophobicContact CH2-CE2 3.55Å; W469-Y515 HydrophobicContact CH2-CG 4.33Å; W469-Y515 AromaticContact CZ2-CD2 3.42Å; W469-Y515 HydrophobicContact CZ2-CD2 3.42Å; W469-Y515 VanDerWaalsContact CZ2-CD2 3.42Å; W469-Y515 AromaticContact CZ2-CE2 3.41Å; W469-Y515 HydrophobicContact CZ2-CE2 3.41Å; W469-Y515 VanDerWaalsContact CZ2-CE2 3.41Å; W469-Y515 HydrophobicContact CZ3-CD2 4.18Å; L484-Y515 HydrophobicContact CB-CD2 4.14Å; L484-Y515 WeakPolarHBondContact O-CD1 3.31Å; E485-Y515 HydrophobicContact CB-CE2 4.46Å; E485-Y515 VanDerWaalsContact CD-CE2 3.42Å; E485-Y515 HydrophobicContact CG-CE2 4.04Å; E485-Y515 WeakPolarHBondContact OE2-CE2 3.4Å; E485-Y515 VanDerWaalsContact OE2-CZ 3.3Å; E485-Y515 PolarHBondContact OE2-OH 3.43Å; S487-Y515 WeakPolarHBondContact OG-CD1 3.41Å; K511-Y515 PolarHBondContact O-N 3.4Å; R512-Y515 PolarHBondContact O-N 2.78Å; I513-Y515 VanDerWaalsContact C-N 3.34Å; I513-Y515 PolarHBondContact O-N 3.24Å; Y515-L517 PolarHBondContact O-N 2.96Å; Y515-F518 PolarHBondContact O-N 3.17Å; Y515-T519 HydrophobicContact CD1-CG2 4.25Å; Y515-T519 HydrophobicContact CE1-CG2 3.73Å; Y515-T519 HydrophobicContact CE2-CG2 4.03Å; Y515-T519 WeakPolarHBondContact O-CG2 3.3Å; Y515-T519 PolarHBondContact O-N 2.96Å; Y515-T519 PolarHBondContact O-OG1 3.36Å
516F87.6Confident88.8Confident37 Ų3739.7 Ų39.716%0.16221%0.213CC..Hα-helixtrans-57.9-47.5174.2167.6-99000112F491 F496 R512 I513 F518 T519 S520 L544F491-F516 HydrophobicContact CB-CD1 3.8Å; F491-F516 HydrophobicContact CB-CE1 3.87Å; F491-F516 HydrophobicContact CB-CG 4.25Å; F491-F516 HydrophobicContact CB-CZ 4.38Å; F491-F516 HydrophobicContact CD2-CB 4.12Å; F491-F516 HydrophobicContact CD2-CD1 4.39Å; F491-F516 HydrophobicContact CD2-CG 4.19Å; F496-F516 HydrophobicContact CE2-CE1 4.38Å; F496-F516 HydrophobicContact CZ-CD1 4.14Å; F496-F516 HydrophobicContact CZ-CE1 4.01Å; R512-F516 WeakPolarHBondContact O-CB 3.49Å; R512-F516 PolarHBondContact O-N 3.29Å; I513-F516 WeakPolarHBondContact O-CB 3.36Å; I513-F516 PolarHBondContact O-N 2.99Å; F516-F518 PolarHBondContact O-N 2.92Å; F516-T519 PolarHBondContact O-N 3.38Å; F516-T519 PolarHBondContact O-OG1 3.25Å; F516-T519 VanDerWaalsContact O-OG1 3.08Å; F516-S520 VanDerWaalsContact O-CB 3.31Å; F516-S520 WeakPolarHBondContact O-CB 3.27Å; F516-S520 PolarHBondContact O-N 3.42Å; F516-S520 PolarHBondContact O-OG 3.2Å; F516-L544 HydrophobicContact CZ-CD2 4.36Å
517L90.2Very high89.3Confident0 Ų038.1 Ų38.10%020%0.2CC..Hα-helixtrans-63.7-41.4178.3-70.6174.3000111.9Y454 I457 F458 F496 I513 A514 Y515 S520 H521 L544Y454-L517 HydrophobicContact CD1-CD1 4.03Å; Y454-L517 HydrophobicContact CD1-CD2 4.22Å; Y454-L517 HydrophobicContact CD2-CB 4.45Å; Y454-L517 HydrophobicContact CD2-CD1 3.94Å; Y454-L517 HydrophobicContact CD2-CD2 4.33Å; Y454-L517 HydrophobicContact CD2-CG 4.48Å; Y454-L517 HydrophobicContact CE1-CD1 4.48Å; Y454-L517 HydrophobicContact CE1-CD2 3.83Å; Y454-L517 HydrophobicContact CE2-CB 4.4Å; Y454-L517 HydrophobicContact CE2-CD1 4.39Å; Y454-L517 HydrophobicContact CE2-CD2 3.95Å; Y454-L517 HydrophobicContact CE2-CG 4.49Å; Y454-L517 HydrophobicContact CG-CD1 3.74Å; Y454-L517 HydrophobicContact CG-CD2 4.45Å; I457-L517 HydrophobicContact CB-CD1 4.29Å; I457-L517 HydrophobicContact CG1-CD1 4.05Å; I457-L517 HydrophobicContact CG2-CD1 4.17Å; F458-L517 HydrophobicContact CE2-CB 4.11Å; F458-L517 HydrophobicContact CE2-CD1 3.99Å; F458-L517 HydrophobicContact CZ-CB 4.37Å; F496-L517 HydrophobicContact CD1-CD1 4.41Å; F496-L517 HydrophobicContact CD2-CD2 3.93Å; F496-L517 HydrophobicContact CE2-CD2 3.63Å; F496-L517 HydrophobicContact CG-CD1 4.46Å; F496-L517 HydrophobicContact CZ-CD2 3.96Å; F496-L517 HydrophobicContact CZ-CG 4.43Å; I513-L517 HydrophobicContact CG2-CD1 3.87Å; I513-L517 HydrophobicContact CG2-CG 4.29Å; I513-L517 WeakPolarHBondContact O-CG 3.19Å; I513-L517 PolarHBondContact O-N 2.9Å; A514-L517 PolarHBondContact O-N 3.23Å; Y515-L517 PolarHBondContact O-N 2.96Å; L517-S520 PolarHBondContact O-N 3.28Å; L517-H521 PolarHBondContact O-CD2 3.39Å; L517-H521 VanDerWaalsContact O-CD2 3.24Å; L517-H521 PolarHBondContact O-N 3.47Å; L517-L544 HydrophobicContact CD2-CD1 4.42Å
518F90.2Very high89.9Confident2 Ų234.1 Ų34.11%0.00919%0.185CC..Hα-helixtrans-59.6-54.7174.3169.2-94.4000111.4I446 L450 L466 W469 L470 A514 Y515 F516 S520 H521 V522I446-F518 HydrophobicContact CD1-CE2 4.45Å; I446-F518 HydrophobicContact CG2-CD2 4.01Å; I446-F518 HydrophobicContact CG2-CE2 4.02Å; L450-F518 HydrophobicContact CD1-CB 4.21Å; L450-F518 HydrophobicContact CD1-CD2 4.13Å; L466-F518 HydrophobicContact CD1-CD2 4.15Å; W469-F518 HydrophobicContact CH2-CB 4.31Å; W469-F518 AromaticContact CH2-CD1 3.16Å; W469-F518 HydrophobicContact CH2-CD1 3.16Å; W469-F518 AromaticContact CH2-CE1 3.48Å; W469-F518 HydrophobicContact CH2-CE1 3.48Å; W469-F518 VanDerWaalsContact CH2-CE1 3.48Å; W469-F518 AromaticContact CH2-CG 3.77Å; W469-F518 HydrophobicContact CH2-CG 3.77Å; W469-F518 HydrophobicContact CH2-CZ 4.33Å; W469-F518 HydrophobicContact CZ2-CD1 4.3Å; W469-F518 HydrophobicContact CZ2-CE1 4.27Å; W469-F518 HydrophobicContact CZ3-CB 3.89Å; W469-F518 AromaticContact CZ3-CD1 3.41Å; W469-F518 HydrophobicContact CZ3-CD1 3.41Å; W469-F518 VanDerWaalsContact CZ3-CD1 3.41Å; W469-F518 HydrophobicContact CZ3-CD2 4.04Å; W469-F518 AromaticContact CZ3-CE1 3.86Å; W469-F518 HydrophobicContact CZ3-CE1 3.86Å; W469-F518 HydrophobicContact CZ3-CE2 4.47Å; W469-F518 AromaticContact CZ3-CG 3.48Å; W469-F518 HydrophobicContact CZ3-CG 3.48Å; W469-F518 VanDerWaalsContact CZ3-CG 3.48Å; W469-F518 HydrophobicContact CZ3-CZ 4.37Å; L470-F518 HydrophobicContact CD2-CE2 3.61Å; L470-F518 HydrophobicContact CD2-CZ 3.82Å; A514-F518 WeakPolarHBondContact O-CB 3.48Å; A514-F518 PolarHBondContact O-N 3.06Å; Y515-F518 PolarHBondContact O-N 3.17Å; F516-F518 PolarHBondContact O-N 2.92Å; F518-S520 PolarHBondContact O-N 3.4Å; F518-H521 PolarHBondContact O-N 3.1Å; F518-V522 HydrophobicContact CD2-CB 3.95Å; F518-V522 HydrophobicContact CD2-CG1 4.48Å; F518-V522 HydrophobicContact CD2-CG2 3.7Å; F518-V522 HydrophobicContact CE1-CB 4.2Å; F518-V522 HydrophobicContact CE1-CG1 4.38Å; F518-V522 HydrophobicContact CE2-CB 3.52Å; F518-V522 HydrophobicContact CE2-CG1 3.58Å; F518-V522 HydrophobicContact CE2-CG2 3.56Å; F518-V522 HydrophobicContact CG-CB 4.44Å; F518-V522 HydrophobicContact CG-CG2 4.47Å; F518-V522 HydrophobicContact CZ-CB 3.69Å; F518-V522 HydrophobicContact CZ-CG1 3.54Å; F518-V522 HydrophobicContact CZ-CG2 4.27Å; F518-V522 WeakPolarHBondContact O-CB 3.31Å; F518-V522 PolarHBondContact O-N 3.45Å
519T89.5Confident90.6Very high60 Ų6031 Ų3137%0.36816%0.163SC..Hα-helixtrans-66.8-21.9-177.350.40000113.6Y515 F516 H521Y515-T519 HydrophobicContact CD1-CG2 4.25Å; Y515-T519 HydrophobicContact CE1-CG2 3.73Å; Y515-T519 HydrophobicContact CE2-CG2 4.03Å; Y515-T519 WeakPolarHBondContact O-CG2 3.3Å; Y515-T519 PolarHBondContact O-N 2.96Å; Y515-T519 PolarHBondContact O-OG1 3.36Å; F516-T519 PolarHBondContact O-N 3.38Å; F516-T519 PolarHBondContact O-OG1 3.25Å; F516-T519 VanDerWaalsContact O-OG1 3.08Å; T519-H521 VanDerWaalsContact C-N 3.32Å
520S91.1Very high91.2Very high42 Ų4234.4 Ų34.429%0.29419%0.185SC..Hα-helixtrans-75.4-22.6173.8-59.20000113.1F516 L517 F518F516-S520 VanDerWaalsContact O-CB 3.31Å; F516-S520 WeakPolarHBondContact O-CB 3.27Å; F516-S520 PolarHBondContact O-N 3.42Å; F516-S520 PolarHBondContact O-OG 3.2Å; L517-S520 PolarHBondContact O-N 3.28Å; F518-S520 PolarHBondContact O-N 3.4Å
521H94.7Very high91.8Very high5 Ų534.4 Ų34.42%0.02319%0.189CC..Hα-helixtrans-109.5-25.1179.8-73.1-63.5000114V415 T416 I417 F449 Y454 L517 F518 T519 L544V415-H521 PolarHBondContact O-ND1 2.96Å; T416-H521 CarbonylContact C-O 3.6Å; T416-H521 VanDerWaalsContact CA-O 3.29Å; T416-H521 WeakPolarHBondContact CA-O 3.17Å; I417-H521 PolarHBondContact N-O 2.79Å; F449-H521 HydrophobicContact CE1-CB 4.06Å; F449-H521 AromaticContact CE1-CD2 3.82Å; F449-H521 AromaticContact CE1-CG 3.64Å; F449-H521 AromaticContact CE1-ND1 3.78Å; F449-H521 AromaticContact CZ-CE1 3.93Å; F449-H521 AromaticContact CZ-ND1 3.97Å; Y454-H521 AromaticContact CE2-CD2 3.87Å; Y454-H521 AromaticContact CE2-NE2 3.53Å; Y454-H521 AromaticContact CZ-NE2 3.6Å; Y454-H521 PolarHBondContact OH-NE2 3.02Å; L517-H521 PolarHBondContact O-CD2 3.39Å; L517-H521 VanDerWaalsContact O-CD2 3.24Å; L517-H521 PolarHBondContact O-N 3.47Å; F518-H521 PolarHBondContact O-N 3.1Å; T519-H521 VanDerWaalsContact C-N 3.32Å; H521-L544 WeakPolarHBondContact NE2-CD1 3.48Å
522V95.4Very high92.3Very high8 Ų837 Ų375%0.04821%0.212CC..EExtended strand (participates in β ladder)trans-118.3130.2-168.2-175.30000111.2I417 R419 I446 F518I417-V522 HydrophobicContact CB-CG2 4.48Å; I417-V522 CarbonylContact O-C 3.54Å; I417-V522 VanDerWaalsContact O-CA 3.29Å; I417-V522 WeakPolarHBondContact O-CA 3.38Å; R419-V522 HydrophobicContact CB-CG1 4.05Å; I446-V522 HydrophobicContact CD1-CG1 3.77Å; I446-V522 HydrophobicContact CD1-CG2 3.96Å; I446-V522 HydrophobicContact CG1-CG2 3.9Å; I446-V522 HydrophobicContact CG2-CG2 3.94Å; F518-V522 HydrophobicContact CD2-CB 3.95Å; F518-V522 HydrophobicContact CD2-CG1 4.48Å; F518-V522 HydrophobicContact CD2-CG2 3.7Å; F518-V522 HydrophobicContact CE1-CB 4.2Å; F518-V522 HydrophobicContact CE1-CG1 4.38Å; F518-V522 HydrophobicContact CE2-CB 3.52Å; F518-V522 HydrophobicContact CE2-CG1 3.58Å; F518-V522 HydrophobicContact CE2-CG2 3.56Å; F518-V522 HydrophobicContact CG-CB 4.44Å; F518-V522 HydrophobicContact CG-CG2 4.47Å; F518-V522 HydrophobicContact CZ-CB 3.69Å; F518-V522 HydrophobicContact CZ-CG1 3.54Å; F518-V522 HydrophobicContact CZ-CG2 4.27Å; F518-V522 WeakPolarHBondContact O-CB 3.31Å; F518-V522 PolarHBondContact O-N 3.45Å
523I95.5Very high92.9Very high47 Ų4734.1 Ų34.124%0.24120%0.202CC..EExtended strand (participates in β ladder)trans-109.2115.4169.7-56172.7000108T416 I417 V418 R419 V537T416-I523 HydrophobicContact CG2-CD1 3.73Å; T416-I523 HydrophobicContact CG2-CG1 4.07Å; I417-I523 PolarHBondContact O-N 3.1Å; V418-I523 CarbonylContact C-O 3.5Å; V418-I523 WeakPolarHBondContact CA-O 3.27Å; V418-I523 HydrophobicContact CG2-CB 4.35Å; V418-I523 HydrophobicContact CG2-CD1 4.49Å; R419-I523 PolarHBondContact N-O 3.34Å; I523-V537 HydrophobicContact CD1-CG1 4.37Å; I523-V537 HydrophobicContact CG2-CG1 4.1Å
524D94.2Very high93.3Very high37 Ų3735.8 Ų35.820%0.19821%0.213CC..EExtended strand (participates in β ladder)trans-77.8125167.7-83.4-71.3000110.2R419 P474 R477R419-D524 WeakPolarHBondContact CD-OD1 3.44Å; R419-D524 IonicContact CZ-OD1 2.66Å; R419-D524 IonicContact NE-OD1 3.33Å; R419-D524 IonicContact NH1-OD1 3.58Å; R419-D524 PolarHBondContact NH1-OD1 3.4Å; R419-D524 WeakPolarHBondContact O-CA 3.44Å; P474-D524 HydrophobicContact CG-CB 3.71Å; R477-D524 IonicContact CZ-OD2 2.92Å; R477-D524 IonicContact NH1-OD1 3.61Å; R477-D524 IonicContact NH1-OD2 3.24Å; R477-D524 PolarHBondContact NH1-OD2 2.96Å; R477-D524 IonicContact NH2-OD2 3.83Å; R477-D524 PolarHBondContact NH2-OD2 2.91Å
525A95.2Very high93.7Very high9 Ų941.8 Ų41.87%0.07424%0.235CC..EExtended strand (participates in β ladder)trans-119.5131.5178.400000110.9V418 R419 R420 N421 L527V418-A525 HydrophobicContact CG1-CB 3.78Å; R419-A525 PolarHBondContact O-N 3.5Å; R420-A525 WeakPolarHBondContact CA-O 3.23Å; N421-A525 PolarHBondContact N-O 3.2Å; N421-A525 PolarHBondContact OD1-O 3.29Å; A525-L527 HydrophobicContact CB-CD1 3.83Å; A525-L527 HydrophobicContact CB-CG 4.05Å; A525-L527 PolarHBondContact O-N 3.34Å
526D94.5Very high94Very high96 Ų9647.1 Ų47.151%0.51326%0.261SS..  trans-79.464.5177.4-168.433.4000112N421 R422N421-D526 WeakPolarHBondContact OD1-CA 3.34Å; N421-D526 PolarHBondContact OD1-OD1 3.08Å; R422-D526 IonicContact CZ-OD1 3.3Å; R422-D526 IonicContact CZ-OD2 2.9Å; R422-D526 IonicContact NE-OD1 3.22Å; R422-D526 PolarHBondContact NE-OD1 2.98Å; R422-D526 IonicContact NE-OD2 3.49Å; R422-D526 IonicContact NH2-OD1 2.67Å; R422-D526 PolarHBondContact NH2-OD1 3.33Å; R422-D526 IonicContact NH2-OD2 3.64Å; R422-D526 PolarHBondContact NH2-OD2 3.38Å
527L96.5Very high94.3Very high29 Ų2946.5 Ų46.515%0.15226%0.26CS..  trans-134150.3-169.9-62.5174.9000111.6R420 R422 A525 L533 P534R420-L527 HydrophobicContact CB-CB 4.46Å; R420-L527 WeakPolarHBondContact CB-O 3.17Å; R420-L527 HydrophobicContact CG-CB 4.14Å; R422-L527 WeakPolarHBondContact CB-O 3.26Å; R422-L527 PolarHBondContact N-O 2.94Å; A525-L527 HydrophobicContact CB-CD1 3.83Å; A525-L527 HydrophobicContact CB-CG 4.05Å; A525-L527 PolarHBondContact O-N 3.34Å; L527-L533 HydrophobicContact CD1-CD1 4.45Å; L527-P534 HydrophobicContact CD1-CG 4.33Å
528T96.7Very high94.6Very high52 Ų5246.9 Ų46.932%0.31926%0.262SS..  trans-80.3167.8164.161.20000110.7R420 R422 E424 C530 S531R420-T528 WeakPolarHBondContact CD-O 3.48Å; R420-T528 PolarHBondContact NH1-O 3.03Å; R422-T528 HydrophobicContact CB-CG2 4.14Å; E424-T528 WeakPolarHBondContact OE2-CB 3.49Å; T528-C530 PolarHBondContact O-N 2.97Å; T528-S531 PolarHBondContact O-N 2.79Å; T528-S531 PolarHBondContact OG1-OG 2.58Å
529H97.3Very high94.8Very high4 Ų453.2 Ų53.22%0.01929%0.289CS..THydrogen-bonded Turntrans-58.7-43.7-174.5-168.477.7000113.5W347 S348 A371 R420 D423 E424 I425W347-H529 AromaticContact CZ2-CD2 3.87Å; W347-H529 AromaticContact CZ2-NE2 3.95Å; W347-H529 AromaticContact NE1-NE2 4Å; W347-H529 PolarHBondContact NE1-O 2.81Å; S348-H529 WeakPolarHBondContact CB-NE2 3.1Å; S348-H529 PolarHBondContact OG-CE1 3.16Å; S348-H529 VanDerWaalsContact OG-CE1 3.24Å; S348-H529 PolarHBondContact OG-NE2 3.46Å; A371-H529 PolarHBondContact O-CE1 3.42Å; R420-H529 PolarHBondContact NH1-O 3.37Å; D423-H529 VanDerWaalsContact CG-ND1 3.33Å; D423-H529 WeakPolarHBondContact OD1-CB 3.43Å; D423-H529 IonicContact OD1-CG 3.75Å; D423-H529 IonicContact OD1-ND1 3.08Å; D423-H529 PolarHBondContact OD1-ND1 3.2Å; D423-H529 IonicContact OD2-CE1 3.46Å; D423-H529 IonicContact OD2-CG 3.56Å; D423-H529 IonicContact OD2-ND1 3.12Å; D423-H529 PolarHBondContact OD2-ND1 3.17Å; E424-H529 PolarHBondContact OE2-N 3.39Å; I425-H529 HydrophobicContact CB-CB 3.86Å; I425-H529 HydrophobicContact CG1-CB 3.49Å; I425-H529 VanDerWaalsContact CG1-CB 3.49Å
530C95.3Very high95.1Very high86 Ų8651.6 Ų51.658%0.58128%0.278SS*.THydrogen-bonded Turntrans-93.82.7-175-64.90000114.1T528T528-C530 PolarHBondContact O-N 2.97Å
531S95.8Very high95.3Very high36 Ų3649.7 Ų49.725%0.25227%0.265SS..SBendtrans-63.6139.9174.4-72.40000110.4R420 T528 L533R420-S531 PolarHBondContact NH1-O 3.3Å; R420-S531 PolarHBondContact NH2-O 3.26Å; T528-S531 PolarHBondContact O-N 2.79Å; T528-S531 PolarHBondContact OG1-OG 2.58Å; S531-L533 PolarHBondContact O-N 3.38Å
532P94.8Very high95.1Very high117 Ų11755.4 Ų55.476%0.7629%0.292SS*.PPolyproline II helixtrans-59.8135.2172.4-24.234.8000111.1P534P532-P534 WeakPolarHBondContact O-CD 3.34Å
533L96.7Very high94.7Very high13 Ų1359.6 Ų59.67%0.06832%0.319CS..PPolyproline II helixtrans-66.4122.1175-175.169.6000109.2V293 F368 V418 L527 S531 V537V293-L533 HydrophobicContact CG1-CD2 4.43Å; V293-L533 HydrophobicContact CG2-CB 4.28Å; V293-L533 WeakPolarHBondContact CG2-O 3.43Å; F368-L533 HydrophobicContact CE1-CD2 3.84Å; F368-L533 HydrophobicContact CZ-CD2 4.35Å; V418-L533 HydrophobicContact CG1-CD1 4.21Å; L527-L533 HydrophobicContact CD1-CD1 4.45Å; S531-L533 PolarHBondContact O-N 3.38Å; L533-V537 HydrophobicContact CD1-CB 4.01Å; L533-V537 HydrophobicContact CD1-CG1 3.71Å; L533-V537 HydrophobicContact CG-CB 4.38Å; L533-V537 HydrophobicContact CG-CG1 4.46Å
534P96.1Very high94Very high38 Ų3862.4 Ų62.425%0.24733%0.334CS..PPolyproline II helixtrans-62.2144175.2-20.232.2000110.9L527 P532 E536 V537L527-P534 HydrophobicContact CD1-CG 4.33Å; P532-P534 WeakPolarHBondContact O-CD 3.34Å; P534-E536 VanDerWaalsContact C-N 3.29Å; P534-E536 HydrophobicContact CB-CG 4.16Å; P534-E536 WeakPolarHBondContact CB-OE1 3.41Å; P534-E536 WeakPolarHBondContact CB-OE2 3.42Å; P534-E536 PolarHBondContact O-N 3.31Å; P534-V537 HydrophobicContact CB-CG2 4.09Å; P534-V537 HydrophobicContact CG-CG2 4.22Å; P534-V537 WeakPolarHBondContact O-CB 3.41Å; P534-V537 PolarHBondContact O-N 3.36Å; P534-V537 VanDerWaalsContact O-N 3.12Å
535R93.6Very high94Very high129 Ų12963.7 Ų63.749%0.48734%0.341SS..G310 helixtrans-66.6-35.2-171.9-60.6-178.6-178.1173.82.9112.4E297 V537 F538E297-R535 HydrophobicContact CG-CB 4.25Å; E297-R535 VanDerWaalsContact OE1-CB 3.28Å; E297-R535 WeakPolarHBondContact OE1-CB 3.31Å; R535-V537 PolarHBondContact O-N 2.89Å; R535-F538 PolarHBondContact O-N 3.21Å
536E92.7Very high93.9Very high142 Ų14266.6 Ų66.666%0.66436%0.355SS*.G310 helixtrans-62.9-19.9176.461.7-89.8-151.300114.1P534P534-E536 VanDerWaalsContact C-N 3.29Å; P534-E536 HydrophobicContact CB-CG 4.16Å; P534-E536 WeakPolarHBondContact CB-OE1 3.41Å; P534-E536 WeakPolarHBondContact CB-OE2 3.42Å; P534-E536 PolarHBondContact O-N 3.31Å
537V95.2Very high93.9Very high24 Ų2464.9 Ų64.915%0.14535%0.346CS..G310 helixtrans-79.8-29.7174.9178.10000110.8F368 V418 I523 L533 P534 R535 K539F368-V537 HydrophobicContact CZ-CG1 4.5Å; V418-V537 HydrophobicContact CG1-CG1 4.29Å; V418-V537 HydrophobicContact CG2-CG1 3.98Å; I523-V537 HydrophobicContact CD1-CG1 4.37Å; I523-V537 HydrophobicContact CG2-CG1 4.1Å; L533-V537 HydrophobicContact CD1-CB 4.01Å; L533-V537 HydrophobicContact CD1-CG1 3.71Å; L533-V537 HydrophobicContact CG-CB 4.38Å; L533-V537 HydrophobicContact CG-CG1 4.46Å; P534-V537 HydrophobicContact CB-CG2 4.09Å; P534-V537 HydrophobicContact CG-CG2 4.22Å; P534-V537 WeakPolarHBondContact O-CB 3.41Å; P534-V537 PolarHBondContact O-N 3.36Å; P534-V537 VanDerWaalsContact O-N 3.12Å; R535-V537 PolarHBondContact O-N 2.89Å; V537-K539 PolarHBondContact O-N 2.85Å; V537-K539 VanDerWaalsContact O-N 3.08Å
538F96.3Very high93.7Very high9 Ų967.1 Ų67.14%0.03936%0.358CS..  trans-74103.9178.6-177.5-107.6000110.7V276 V293 P294 Y299 L345 F368 R535 L540V276-F538 HydrophobicContact CG1-CZ 4.09Å; V276-F538 HydrophobicContact CG2-CE1 4.27Å; V276-F538 HydrophobicContact CG2-CZ 3.91Å; V293-F538 HydrophobicContact CG1-CB 3.58Å; V293-F538 HydrophobicContact CG1-CG 4.06Å; P294-F538 HydrophobicContact CB-CD1 4.47Å; P294-F538 HydrophobicContact CB-CE1 3.91Å; P294-F538 HydrophobicContact CB-CZ 4.26Å; Y299-F538 AromaticContact CD2-CE1 3.92Å; Y299-F538 HydrophobicContact CD2-CE1 3.92Å; Y299-F538 HydrophobicContact CE2-CD1 4.12Å; Y299-F538 AromaticContact CE2-CE1 3.64Å; Y299-F538 HydrophobicContact CE2-CE1 3.64Å; L345-F538 HydrophobicContact CB-CE2 4.25Å; L345-F538 HydrophobicContact CD1-CD2 4.25Å; L345-F538 HydrophobicContact CD1-CE2 4.2Å; L345-F538 HydrophobicContact CD2-CD2 4.25Å; L345-F538 HydrophobicContact CD2-CE2 4.11Å; L345-F538 HydrophobicContact CG-CE2 4.42Å; F368-F538 HydrophobicContact CB-CE2 4.25Å; F368-F538 HydrophobicContact CD1-CD2 4.17Å; F368-F538 HydrophobicContact CD1-CE2 4.45Å; F368-F538 AromaticContact CD2-CD2 3.98Å; F368-F538 HydrophobicContact CD2-CD2 3.98Å; F368-F538 HydrophobicContact CD2-CE2 4.13Å; F368-F538 HydrophobicContact CE1-CD2 4.18Å; F368-F538 HydrophobicContact CE2-CD2 4.02Å; F368-F538 HydrophobicContact CG-CD2 4.04Å; F368-F538 HydrophobicContact CG-CE2 4.02Å; F368-F538 HydrophobicContact CZ-CD2 4.1Å; R535-F538 PolarHBondContact O-N 3.21Å; F538-L540 HydrophobicContact CZ-CD2 4.42Å
539K93.2Very high93.5Very high135 Ų13568 Ų6859%0.58736%0.36SS*.  trans-122.3148.7174.4-63.4178.8-176.3174.80108.7F368 V537F368-K539 WeakPolarHBondContact CD2-O 3.46Å; F368-K539 VanDerWaalsContact CE2-O 3.32Å; F368-K539 WeakPolarHBondContact CE2-O 3.49Å; V537-K539 PolarHBondContact O-N 2.85Å; V537-K539 VanDerWaalsContact O-N 3.08Å
540L95.4Very high93.3Very high26 Ų2672.3 Ų72.314%0.13638%0.383CS..  trans-64.3134.3176.1-62.1-170.5000109.5Y299 V343 K365 F538 E542Y299-L540 HydrophobicContact CE1-CD1 4.14Å; Y299-L540 HydrophobicContact CE1-CD2 3.7Å; Y299-L540 HydrophobicContact CE1-CG 4.25Å; Y299-L540 WeakPolarHBondContact OH-CD2 3.38Å; Y299-L540 WeakPolarHBondContact OH-CG 3.29Å; V343-L540 HydrophobicContact CG2-CD2 3.91Å; K365-L540 HydrophobicContact CD-CD1 4.3Å; K365-L540 VanDerWaalsContact NZ-CD1 3.31Å; F538-L540 HydrophobicContact CZ-CD2 4.42Å; L540-E542 PolarHBondContact O-N 3.38Å
541P96.3Very high93.1Very high2 Ų271.3 Ų71.31%0.01337%0.369CS..  trans-61.6128.9169.2-21.333000109.7L367 F368 P414 T416L367-P541 WeakPolarHBondContact O-CG 3.43Å; F368-P541 HydrophobicContact CB-CG 4.19Å; F368-P541 HydrophobicContact CD2-CG 4.42Å; P414-P541 HydrophobicContact CB-CB 3.78Å; T416-P541 WeakPolarHBondContact OG1-CA 3.44Å; T416-P541 WeakPolarHBondContact OG1-CB 3.4Å
542E90.4Very high92.9Very high124 Ų12474 Ų7458%0.57938%0.378SS*.  trans-105.8149-179.6-64.8-62.615400110.5L540L540-E542 PolarHBondContact O-N 3.38Å
543P86.9Confident92.8Very high96 Ų9670.4 Ų70.462%0.62335%0.346SS*.  trans-68.7148.9172.629.8-33.8000111.2P414P414-P543 HydrophobicContact CG-CB 4.19Å
544L80.8Confident92.4Very high107 Ų10775.6 Ų75.656%0.5637%0.371SS*.  trans-116.90169.2-69.4175000110.6F516 L517 H521F516-L544 HydrophobicContact CZ-CD2 4.36Å; L517-L544 HydrophobicContact CD2-CD1 4.42Å; H521-L544 WeakPolarHBondContact NE2-CD1 3.48Å

Retrieved 544 of 544 residues in 691.4 ms (Link to these results)

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