A0A060Y7H3_ONCMY Loading...

Telomere length regulation protein TEL2 homolog

AlphaFold DB , UniProt , Accession A0A060Y7H3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 839 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
1M38.2Very low62.5Low244 Ų24496.5 Ų96.5100%1.20254%0.538SS*.  098.60-83.9175.3154.800107.4
2M36.1Very low64.6Low185 Ų18599.6 Ų99.691%0.91154%0.535SS*.PPolyproline II helixtrans-68.4131.4172.1-78.9-82.4173.600107.8S4M2-S4 PolarHBondContact O-N 3.35Å
3P43.3Very low66.3Low113 Ų11398.8 Ų98.873%0.73453%0.53SS*.PPolyproline II helixtrans-63.2129.4177.925.7-31.2000109.1L5P3-L5 PolarHBondContact O-N 3.32Å
4S50.3Low67.8Low115 Ų11593.5 Ų93.580%0.80450%0.504SS*.PPolyproline II helixtrans-55.2120.3174.153.20000109.1M2M2-S4 PolarHBondContact O-N 3.35Å
5L57.6Low69.2Low95 Ų9587.9 Ų87.950%0.49747%0.474SS..PPolyproline II helixtrans-61.8143.4177.9-73.2157.9000109.1P3 V9 E10P3-L5 PolarHBondContact O-N 3.32Å; L5-V9 HydrophobicContact CD2-CB 4.39Å; L5-V9 HydrophobicContact CD2-CG1 3.84Å; L5-E10 HydrophobicContact CB-CG 3.48Å; L5-E10 VanDerWaalsContact CB-CG 3.48Å; L5-E10 HydrophobicContact CD1-CG 4.29Å
6T73.1Confident70.2Confident84 Ų8484.3 Ų84.352%0.51546%0.464SS..PPolyproline II helixtrans-63.2143.6171.648.50000109.5D8 V9 E10T6-D8 PolarHBondContact O-N 3.1Å; T6-V9 PolarHBondContact O-N 3.26Å; T6-V9 WeakPolarHBondContact OG1-CG2 3.34Å; T6-E10 PolarHBondContact O-N 3.15Å
7P68.1Low71.3Confident59 Ų5986.5 Ų86.538%0.38347%0.47SS..Hα-helixtrans-54.8-31.5-174.519.2-31.8000113.7E10 V11 Q54P7-E10 PolarHBondContact O-N 2.91Å; P7-V11 WeakPolarHBondContact O-CB 3.34Å; P7-V11 VanDerWaalsContact O-CG2 3.24Å; P7-V11 WeakPolarHBondContact O-CG2 3.49Å; P7-V11 PolarHBondContact O-N 3.33Å; P7-Q54 HydrophobicContact CB-CG 4.09Å
8D74.3Confident72.2Confident66 Ų6682.2 Ų82.235%0.35345%0.447SS..Hα-helixtrans-57.3-47.4171.8172.547.7000113.3T6 R12 E57T6-D8 PolarHBondContact O-N 3.1Å; D8-R12 WeakPolarHBondContact O-CB 3.5Å; D8-R12 PolarHBondContact O-N 3.31Å; D8-E57 HydrophobicContact CB-CG 4.41Å
9V79.1Confident73Confident32 Ų3280.1 Ų80.119%0.19444%0.437CS..Hα-helixtrans-70.6-37.8-177.9179.90000110.7L5 T6 L13L5-V9 HydrophobicContact CD2-CB 4.39Å; L5-V9 HydrophobicContact CD2-CG1 3.84Å; T6-V9 PolarHBondContact O-N 3.26Å; T6-V9 WeakPolarHBondContact OG1-CG2 3.34Å; V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 HydrophobicContact CG1-CG 4.35Å; V9-L13 WeakPolarHBondContact O-CB 3.21Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3.46Å
10E82.6Confident73.7Confident69 Ų6985.2 Ų85.232%0.32245%0.45SS..Hα-helixtrans-64.8-49.8177-64.9-174.8161.300112.2L5 T6 P7 L13 S14 Q54L5-E10 HydrophobicContact CB-CG 3.48Å; L5-E10 VanDerWaalsContact CB-CG 3.48Å; L5-E10 HydrophobicContact CD1-CG 4.29Å; T6-E10 PolarHBondContact O-N 3.15Å; P7-E10 PolarHBondContact O-N 2.91Å; E10-L13 PolarHBondContact O-N 3.38Å; E10-S14 VanDerWaalsContact O-CB 3.3Å; E10-S14 WeakPolarHBondContact O-CB 3.41Å; E10-S14 PolarHBondContact O-N 3.03Å; E10-Q54 PolarHBondContact OE2-NE2 3.27Å
11V85.3Confident74.3Confident0 Ų083.1 Ų83.10%044%0.44CS..Hα-helixtrans-64.5-44.4-179.81770000110.2P7 L13 S14 V15 Y41 Q54 F58P7-V11 WeakPolarHBondContact O-CB 3.34Å; P7-V11 VanDerWaalsContact O-CG2 3.24Å; P7-V11 WeakPolarHBondContact O-CG2 3.49Å; P7-V11 PolarHBondContact O-N 3.33Å; V11-L13 PolarHBondContact O-N 3.15Å; V11-S14 PolarHBondContact O-N 3.26Å; V11-V15 HydrophobicContact CG1-CG2 4.07Å; V11-V15 WeakPolarHBondContact O-CB 3.36Å; V11-V15 VanDerWaalsContact O-CG2 3.25Å; V11-V15 WeakPolarHBondContact O-CG2 3.33Å; V11-V15 PolarHBondContact O-N 3.46Å; V11-Y41 HydrophobicContact CG1-CE1 4.42Å; V11-Y41 HydrophobicContact CG2-CE1 4.06Å; V11-Q54 HydrophobicContact CG2-CB 3.78Å; V11-Q54 HydrophobicContact CG2-CG 3.87Å; V11-F58 HydrophobicContact CG1-CB 3.97Å; V11-F58 HydrophobicContact CG1-CD2 4.22Å
12R86.7Confident76.5Confident133 Ų13371.5 Ų71.550%0.50238%0.383SS..Hα-helixtrans-60.5-43.4177.7-177.2-179.165.3176.7-1.9112.7D8 G16D8-R12 WeakPolarHBondContact O-CB 3.5Å; D8-R12 PolarHBondContact O-N 3.31Å; R12-G16 PolarHBondContact O-N 3.4Å
13L86.9Confident78.8Confident89 Ų8966.5 Ų66.547%0.46636%0.363SS..Hα-helixtrans-66-45.3177.8-74.7171.7000111.2V9 E10 V11 G16 Q17V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 HydrophobicContact CG1-CG 4.35Å; V9-L13 WeakPolarHBondContact O-CB 3.21Å; V9-L13 WeakPolarHBondContact O-CG 3.4Å; V9-L13 PolarHBondContact O-N 3.46Å; E10-L13 PolarHBondContact O-N 3.38Å; V11-L13 PolarHBondContact O-N 3.15Å; L13-G16 PolarHBondContact O-N 2.68Å; L13-Q17 WeakPolarHBondContact O-CB 3.3Å; L13-Q17 VanDerWaalsContact O-CG 3.3Å; L13-Q17 WeakPolarHBondContact O-CG 3.3Å; L13-Q17 PolarHBondContact O-N 3.35Å
14S87.7Confident80.7Confident25 Ų2566.2 Ų66.218%0.17536%0.36CS..Hα-helixtrans-61.5-49.5178.4-179.80000112.2E10 V11 G16 Q17 C18 Y41E10-S14 VanDerWaalsContact O-CB 3.3Å; E10-S14 WeakPolarHBondContact O-CB 3.41Å; E10-S14 PolarHBondContact O-N 3.03Å; V11-S14 PolarHBondContact O-N 3.26Å; S14-G16 VanDerWaalsContact C-N 3.35Å; S14-G16 PolarHBondContact O-N 3.03Å; S14-Q17 WeakPolarHBondContact O-CB 3.13Å; S14-Q17 PolarHBondContact O-N 3.4Å; S14-C18 PolarHBondContact O-N 2.8Å; S14-C18 PolarHBondContact O-SG 2.56Å; S14-Y41 VanDerWaalsContact CB-OH 3.29Å; S14-Y41 WeakPolarHBondContact CB-OH 3.32Å; S14-Y41 PolarHBondContact OG-OH 3.16Å
15V88.1Confident82.1Confident9 Ų961.4 Ų61.46%0.05533%0.326CS..Hα-helixtrans-63.9-41.7177.4175.40000110.9V11 Q17 C18 V19 L38 F58 H62V11-V15 HydrophobicContact CG1-CG2 4.07Å; V11-V15 WeakPolarHBondContact O-CB 3.36Å; V11-V15 VanDerWaalsContact O-CG2 3.25Å; V11-V15 WeakPolarHBondContact O-CG2 3.33Å; V11-V15 PolarHBondContact O-N 3.46Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.39Å; V15-C18 PolarHBondContact O-N 2.97Å; V15-V19 HydrophobicContact CG1-CG2 4.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.1Å; V15-V19 PolarHBondContact O-N 3.24Å; V15-L38 HydrophobicContact CG2-CD2 4.5Å; V15-F58 HydrophobicContact CG2-CD2 3.68Å; V15-F58 HydrophobicContact CG2-CE2 3.68Å; V15-H62 HydrophobicContact CG1-CB 4.44Å; V15-H62 HydrophobicContact CG2-CB 4.33Å
16G86Confident83.2Confident30 Ų3065.8 Ų65.831%0.30934%0.341SS..Hα-helixtrans-62-37.9176.100000113.1R12 L13 S14 R20R12-G16 PolarHBondContact O-N 3.4Å; L13-G16 PolarHBondContact O-N 2.68Å; S14-G16 VanDerWaalsContact C-N 3.35Å; S14-G16 PolarHBondContact O-N 3.03Å; G16-R20 WeakPolarHBondContact O-CG 3.38Å; G16-R20 PolarHBondContact O-N 3.26Å; G16-R20 VanDerWaalsContact O-N 3.16Å
17Q88.4Confident83.6Confident123 Ų12367.6 Ų67.658%0.57534%0.344SS*.Hα-helixtrans-64.9-47.3172-75.2173.1-3.700111.1L13 S14 V15 V19 R20 T21L13-Q17 WeakPolarHBondContact O-CB 3.3Å; L13-Q17 VanDerWaalsContact O-CG 3.3Å; L13-Q17 WeakPolarHBondContact O-CG 3.3Å; L13-Q17 PolarHBondContact O-N 3.35Å; S14-Q17 WeakPolarHBondContact O-CB 3.13Å; S14-Q17 PolarHBondContact O-N 3.4Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.39Å; Q17-V19 VanDerWaalsContact C-N 3.35Å; Q17-V19 PolarHBondContact O-N 2.59Å; Q17-R20 PolarHBondContact O-N 2.94Å; Q17-T21 PolarHBondContact O-N 2.77Å; Q17-T21 PolarHBondContact O-OG1 3.42Å
18C88.3Confident84.4Confident8 Ų868.8 Ų68.85%0.05434%0.343CS..Hα-helixtrans-57.4-45.8178.2-66.20000112.3S14 V15 R20 T21 L22 L38S14-C18 PolarHBondContact O-N 2.8Å; S14-C18 PolarHBondContact O-SG 2.56Å; V15-C18 PolarHBondContact O-N 2.97Å; C18-R20 PolarHBondContact O-N 3.5Å; C18-T21 PolarHBondContact O-N 3.38Å; C18-L22 WeakPolarHBondContact O-CB 3.5Å; C18-L22 WeakPolarHBondContact O-CG 3.32Å; C18-L22 PolarHBondContact O-N 2.69Å; C18-L38 HydrophobicContact CB-CD1 4.25Å; C18-L38 HydrophobicContact CB-CD2 3.93Å; C18-L38 HydrophobicContact CB-CG 4.04Å
19V87Confident84.9Confident42 Ų4271.9 Ų71.926%0.25536%0.355SS..Hα-helixtrans-61-44.9177.4171.60000111.1V15 Q17 L22 T23 F69V15-V19 HydrophobicContact CG1-CG2 4.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.1Å; V15-V19 PolarHBondContact O-N 3.24Å; Q17-V19 VanDerWaalsContact C-N 3.35Å; Q17-V19 PolarHBondContact O-N 2.59Å; V19-L22 PolarHBondContact O-N 3.24Å; V19-T23 WeakPolarHBondContact O-CG2 3.33Å; V19-T23 PolarHBondContact O-N 3.37Å; V19-T23 VanDerWaalsContact O-N 3.15Å; V19-T23 PolarHBondContact O-OG1 3.45Å; V19-F69 HydrophobicContact CG1-CD1 4.46Å; V19-F69 HydrophobicContact CG1-CD2 3.85Å; V19-F69 HydrophobicContact CG1-CE1 4.33Å; V19-F69 HydrophobicContact CG1-CE2 3.69Å; V19-F69 HydrophobicContact CG1-CG 4.24Å; V19-F69 HydrophobicContact CG1-CZ 3.96Å; V19-F69 HydrophobicContact CG2-CD1 4.35Å
20R86.3Confident85.2Confident183 Ų18374.4 Ų74.469%0.69137%0.365SS*.Hα-helixtrans-61.7-49.1177-73.6174.6-176.1179.21.8111.4G16 Q17 C18 L22 T23 T24G16-R20 WeakPolarHBondContact O-CG 3.38Å; G16-R20 PolarHBondContact O-N 3.26Å; G16-R20 VanDerWaalsContact O-N 3.16Å; Q17-R20 PolarHBondContact O-N 2.94Å; C18-R20 PolarHBondContact O-N 3.5Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.36Å; R20-T23 PolarHBondContact O-N 3.38Å; R20-T23 PolarHBondContact O-OG1 2.86Å; R20-T24 PolarHBondContact O-N 3.01Å; R20-T24 PolarHBondContact O-OG1 2.95Å
21T86Confident85.3Confident41 Ų4171.1 Ų71.125%0.25235%0.349SS..Hα-helixtrans-61.2-40.2-179.4-520000111.7Q17 C18 T23 T24 S25 E30 T34Q17-T21 PolarHBondContact O-N 2.77Å; Q17-T21 PolarHBondContact O-OG1 3.42Å; C18-T21 PolarHBondContact O-N 3.38Å; T21-T23 VanDerWaalsContact C-N 3.29Å; T21-T23 PolarHBondContact O-N 3.08Å; T21-T24 PolarHBondContact O-N 3.35Å; T21-S25 WeakPolarHBondContact O-CB 3.4Å; T21-S25 PolarHBondContact O-N 3.04Å; T21-E30 HydrophobicContact CG2-CB 4.41Å; T21-T34 HydrophobicContact CG2-CG2 3.6Å
22L85.4Confident85.4Confident0 Ų072.1 Ų72.10%036%0.355CS..Hα-helixtrans-65-30.1175-72.7170.7000113.1C18 V19 R20 V31 T34 L35 L38 F69 W78C18-L22 WeakPolarHBondContact O-CB 3.5Å; C18-L22 WeakPolarHBondContact O-CG 3.32Å; C18-L22 PolarHBondContact O-N 2.69Å; V19-L22 PolarHBondContact O-N 3.24Å; R20-L22 VanDerWaalsContact C-N 3.32Å; R20-L22 PolarHBondContact O-N 3.36Å; L22-V31 HydrophobicContact CD2-CG1 4.17Å; L22-T34 WeakPolarHBondContact CD2-OG1 3.43Å; L22-L35 HydrophobicContact CD1-CD2 4.22Å; L22-L35 HydrophobicContact CD2-CD2 4.29Å; L22-L35 HydrophobicContact CD2-CG 4.29Å; L22-L38 HydrophobicContact CD1-CD1 4.07Å; L22-F69 HydrophobicContact CB-CE1 4.06Å; L22-F69 HydrophobicContact CB-CZ 4.19Å; L22-F69 HydrophobicContact CD1-CE1 4.04Å; L22-W78 HydrophobicContact CD2-CD2 4.41Å; L22-W78 HydrophobicContact CD2-CE3 4.21Å; L22-W78 HydrophobicContact CD2-CH2 4.45Å; L22-W78 HydrophobicContact CD2-CZ3 4.21Å; L22-W78 PolarHBondContact O-NE1 2.89Å
23T83.3Confident85.4Confident80 Ų8071.9 Ų71.949%0.49136%0.358SS..Hα-helixtrans-80-29.8175.455.30000114.2V19 R20 T21 F69V19-T23 WeakPolarHBondContact O-CG2 3.33Å; V19-T23 PolarHBondContact O-N 3.37Å; V19-T23 VanDerWaalsContact O-N 3.15Å; V19-T23 PolarHBondContact O-OG1 3.45Å; R20-T23 PolarHBondContact O-N 3.38Å; R20-T23 PolarHBondContact O-OG1 2.86Å; T21-T23 VanDerWaalsContact C-N 3.29Å; T21-T23 PolarHBondContact O-N 3.08Å; T23-F69 HydrophobicContact CG2-CE2 3.54Å; T23-F69 HydrophobicContact CG2-CZ 3.59Å
24T83.3Confident85.5Confident108 Ų10868.3 Ų68.366%0.66334%0.34SS*.Hα-helixtrans-104.8-28.2-171.157.70000114.1R20 T21R20-T24 PolarHBondContact O-N 3.01Å; R20-T24 PolarHBondContact O-OG1 2.95Å; T21-T24 PolarHBondContact O-N 3.35Å
25S81.6Confident85.4Confident13 Ų1367.1 Ų67.19%0.09133%0.332CS..  trans-79.7141-173.8-1720000111.9T21 E27 E30T21-S25 WeakPolarHBondContact O-CB 3.4Å; T21-S25 PolarHBondContact O-N 3.04Å; S25-E27 PolarHBondContact OG-N 3.39Å; S25-E30 WeakPolarHBondContact CB-OE2 3.38Å; S25-E30 PolarHBondContact OG-OE2 2.97Å
26K78.9Confident85.4Confident188 Ų18871 Ų7182%0.81735%0.349SS*.  trans-111.81.2171.8-62.8-175.8178.9-176.10111.9L81K26-L81 WeakPolarHBondContact O-CD1 3.22Å
27E83Confident85.5Confident122 Ų12272.1 Ų72.157%0.5735%0.35SS*.  trans-93.5128.6-176.7-67.4-167.1176.800111.3S25 E29 E30 V31S25-E27 PolarHBondContact OG-N 3.39Å; E27-E29 VanDerWaalsContact C-N 3.3Å; E27-E29 PolarHBondContact O-N 3.33Å; E27-E30 HydrophobicContact CB-CB 4.44Å; E27-E30 HydrophobicContact CB-CG 4.26Å; E27-E30 PolarHBondContact O-N 3.38Å; E27-V31 WeakPolarHBondContact O-CG2 3.18Å; E27-V31 PolarHBondContact O-N 3.44Å
28K83.7Confident85.5Confident84 Ų8466.3 Ų66.337%0.36532%0.323SS..Hα-helixtrans-58.4-39.7-178.9-176.6179.9179.1175.10112.8V31 T32 L81K28-V31 PolarHBondContact O-N 3.31Å; K28-T32 HydrophobicContact CG-CG2 4.44Å; K28-T32 WeakPolarHBondContact O-CG2 3.2Å; K28-T32 PolarHBondContact O-N 2.58Å; K28-T32 PolarHBondContact O-OG1 3.03Å; K28-L81 VanDerWaalsContact CD-O 3.3Å; K28-L81 WeakPolarHBondContact CD-O 3.5Å; K28-L81 VanDerWaalsContact CE-O 3.24Å; K28-L81 WeakPolarHBondContact CE-O 3.48Å
29E85.2Confident85.4Confident130 Ų13066 Ų6661%0.60732%0.321SS*.Hα-helixtrans-69.2-36-177.4-68.5-166.6-17600113.4E27 T32 K33E27-E29 VanDerWaalsContact C-N 3.3Å; E27-E29 PolarHBondContact O-N 3.33Å; E29-T32 WeakPolarHBondContact CA-OG1 3.48Å; E29-T32 PolarHBondContact O-OG1 2.99Å; E29-T32 VanDerWaalsContact O-OG1 3.05Å; E29-K33 WeakPolarHBondContact O-CB 3.43Å; E29-K33 WeakPolarHBondContact O-CD 3.45Å; E29-K33 WeakPolarHBondContact O-CG 3.36Å; E29-K33 PolarHBondContact O-N 3.48Å; E29-K33 IonicContact OE2-NZ 2.97Å
30E86Confident85.5Confident86 Ų8665.6 Ų65.640%0.40232%0.319SS..Hα-helixtrans-70.6-40.5176.1-67.2-168.8149.500110.9T21 S25 E27 K33 T34T21-E30 HydrophobicContact CG2-CB 4.41Å; S25-E30 WeakPolarHBondContact CB-OE2 3.38Å; S25-E30 PolarHBondContact OG-OE2 2.97Å; E27-E30 HydrophobicContact CB-CB 4.44Å; E27-E30 HydrophobicContact CB-CG 4.26Å; E27-E30 PolarHBondContact O-N 3.38Å; E30-K33 PolarHBondContact O-N 3.33Å; E30-T34 WeakPolarHBondContact O-CB 3.41Å; E30-T34 WeakPolarHBondContact O-CG2 3.3Å; E30-T34 PolarHBondContact O-N 3.23Å; E30-T34 PolarHBondContact O-OG1 3.38Å
31V85.1Confident85.5Confident0 Ų057.7 Ų57.70%029%0.29CS..Hα-helixtrans-62.6-44.5175.5171.80000111.3L22 E27 K28 T34 L35 W78 L82L22-V31 HydrophobicContact CD2-CG1 4.17Å; E27-V31 WeakPolarHBondContact O-CG2 3.18Å; E27-V31 PolarHBondContact O-N 3.44Å; K28-V31 PolarHBondContact O-N 3.31Å; V31-T34 WeakPolarHBondContact CA-OG1 3.23Å; V31-T34 PolarHBondContact O-OG1 3.37Å; V31-L35 HydrophobicContact CG1-CD1 4.36Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 2.92Å; V31-L35 VanDerWaalsContact O-N 3.07Å; V31-W78 HydrophobicContact CG1-CD2 4.36Å; V31-W78 HydrophobicContact CG1-CE3 3.44Å; V31-W78 VanDerWaalsContact CG1-CE3 3.44Å; V31-W78 HydrophobicContact CG1-CZ3 4.04Å; V31-W78 HydrophobicContact CG2-CB 4.09Å; V31-L82 HydrophobicContact CG1-CD1 4.38Å; V31-L82 HydrophobicContact CG1-CD2 4.22Å; V31-L82 HydrophobicContact CG1-CG 4.39Å
32T85.9Confident85.4Confident20 Ų2056.7 Ų56.712%0.12328%0.283CS..Hα-helixtrans-67.5-42.8177.653.40000112K28 E29 T34 L35 H36 L82K28-T32 HydrophobicContact CG-CG2 4.44Å; K28-T32 WeakPolarHBondContact O-CG2 3.2Å; K28-T32 PolarHBondContact O-N 2.58Å; K28-T32 PolarHBondContact O-OG1 3.03Å; E29-T32 WeakPolarHBondContact CA-OG1 3.48Å; E29-T32 PolarHBondContact O-OG1 2.99Å; E29-T32 VanDerWaalsContact O-OG1 3.05Å; T32-T34 PolarHBondContact O-N 2.92Å; T32-L35 PolarHBondContact O-N 2.95Å; T32-H36 WeakPolarHBondContact O-CB 3.23Å; T32-H36 PolarHBondContact O-CD2 2.97Å; T32-H36 VanDerWaalsContact O-CD2 3.24Å; T32-H36 PolarHBondContact O-N 3.24Å; T32-L82 HydrophobicContact CG2-CD2 3.44Å; T32-L82 VanDerWaalsContact CG2-CD2 3.44Å
33K87.4Confident85Confident129 Ų12959.4 Ų59.456%0.56130%0.297SS*.Hα-helixtrans-61.4-41.7176.8-76.3170.7-174.6163.40112.2E29 E30 H36 T37E29-K33 WeakPolarHBondContact O-CB 3.43Å; E29-K33 WeakPolarHBondContact O-CD 3.45Å; E29-K33 WeakPolarHBondContact O-CG 3.36Å; E29-K33 PolarHBondContact O-N 3.48Å; E29-K33 IonicContact OE2-NZ 2.97Å; E30-K33 PolarHBondContact O-N 3.33Å; K33-H36 PolarHBondContact O-N 2.9Å; K33-T37 PolarHBondContact O-N 3.4Å; K33-T37 PolarHBondContact O-OG1 3.38Å
34T88.7Confident84Confident14 Ų1462.1 Ų62.19%0.08631%0.309CS..Hα-helixtrans-67.1-43.4178.549.30000112.2T21 L22 E30 V31 T32 T37 L38T21-T34 HydrophobicContact CG2-CG2 3.6Å; L22-T34 WeakPolarHBondContact CD2-OG1 3.43Å; E30-T34 WeakPolarHBondContact O-CB 3.41Å; E30-T34 WeakPolarHBondContact O-CG2 3.3Å; E30-T34 PolarHBondContact O-N 3.23Å; E30-T34 PolarHBondContact O-OG1 3.38Å; V31-T34 WeakPolarHBondContact CA-OG1 3.23Å; V31-T34 PolarHBondContact O-OG1 3.37Å; T32-T34 PolarHBondContact O-N 2.92Å; T34-T37 WeakPolarHBondContact O-CB 3.31Å; T34-T37 PolarHBondContact O-N 3.05Å; T34-L38 PolarHBondContact O-N 2.89Å
35L86.6Confident83.1Confident0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-63.6-40.3173.3-69.1176.5000112.1L22 V31 T32 T37 L38 T39 W78 L82 L90 W91 L94L22-L35 HydrophobicContact CD1-CD2 4.22Å; L22-L35 HydrophobicContact CD2-CD2 4.29Å; L22-L35 HydrophobicContact CD2-CG 4.29Å; V31-L35 HydrophobicContact CG1-CD1 4.36Å; V31-L35 WeakPolarHBondContact O-CG 3.42Å; V31-L35 PolarHBondContact O-N 2.92Å; V31-L35 VanDerWaalsContact O-N 3.07Å; T32-L35 PolarHBondContact O-N 2.95Å; L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 PolarHBondContact O-N 3.27Å; L35-L38 PolarHBondContact O-N 3.41Å; L35-L38 VanDerWaalsContact O-N 3.16Å; L35-T39 PolarHBondContact O-N 2.93Å; L35-T39 PolarHBondContact O-OG1 3.27Å; L35-W78 HydrophobicContact CD1-CZ3 4.13Å; L35-L82 HydrophobicContact CD1-CD1 3.63Å; L35-L90 HydrophobicContact CB-CB 3.98Å; L35-L90 HydrophobicContact CB-CD1 4.3Å; L35-L90 HydrophobicContact CD1-CB 4.25Å; L35-W91 HydrophobicContact CD1-CE3 4.48Å; L35-W91 HydrophobicContact CD2-CE3 3.85Å; L35-W91 HydrophobicContact CD2-CZ3 4.02Å; L35-L94 HydrophobicContact CD2-CD1 4.16Å
36H88.3Confident81.8Confident90 Ų9065 Ų6542%0.41734%0.336SS..Hα-helixtrans-57.8-42.4172.3-90.3-65.2000112.2T32 K33 L38 T39 S40 L90T32-H36 WeakPolarHBondContact O-CB 3.23Å; T32-H36 PolarHBondContact O-CD2 2.97Å; T32-H36 VanDerWaalsContact O-CD2 3.24Å; T32-H36 PolarHBondContact O-N 3.24Å; K33-H36 PolarHBondContact O-N 2.9Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 3.14Å; H36-T39 VanDerWaalsContact CA-OG1 3.27Å; H36-T39 WeakPolarHBondContact CA-OG1 3.41Å; H36-T39 PolarHBondContact O-N 3.11Å; H36-T39 PolarHBondContact O-OG1 3.06Å; H36-S40 PolarHBondContact O-N 3.19Å; H36-S40 PolarHBondContact O-OG 3.42Å; H36-L90 WeakPolarHBondContact CE1-CD2 3.4Å; H36-L90 WeakPolarHBondContact ND1-CD2 3.48Å
37T88.1Confident80.6Confident54 Ų5465 Ų6533%0.33134%0.339SS..Hα-helixtrans-64-37177.2-51.60000111.7K33 T34 L35 S40 Y41K33-T37 PolarHBondContact O-N 3.4Å; K33-T37 PolarHBondContact O-OG1 3.38Å; T34-T37 WeakPolarHBondContact O-CB 3.31Å; T34-T37 PolarHBondContact O-N 3.05Å; L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 PolarHBondContact O-N 3.27Å; T37-S40 PolarHBondContact O-OG 3.31Å; T37-Y41 HydrophobicContact CG2-CE2 4.46Å; T37-Y41 WeakPolarHBondContact O-CD2 3.26Å; T37-Y41 WeakPolarHBondContact O-CE2 3.39Å
38L87.6Confident79.7Confident1 Ų161 Ų611%0.00532%0.324CS..Hα-helixtrans-71-40174.2-69.4173.9000112V15 C18 L22 T34 L35 H36 S40 Y41 F58 T66 L94V15-L38 HydrophobicContact CG2-CD2 4.5Å; C18-L38 HydrophobicContact CB-CD1 4.25Å; C18-L38 HydrophobicContact CB-CD2 3.93Å; C18-L38 HydrophobicContact CB-CG 4.04Å; L22-L38 HydrophobicContact CD1-CD1 4.07Å; T34-L38 PolarHBondContact O-N 2.89Å; L35-L38 PolarHBondContact O-N 3.41Å; L35-L38 VanDerWaalsContact O-N 3.16Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 3.14Å; L38-S40 VanDerWaalsContact C-N 3.34Å; L38-S40 PolarHBondContact O-N 3.03Å; L38-Y41 PolarHBondContact O-N 3.28Å; L38-F58 HydrophobicContact CD2-CE2 4.33Å; L38-T66 HydrophobicContact CD1-CG2 4.07Å; L38-T66 HydrophobicContact CD2-CG2 4.21Å; L38-L94 HydrophobicContact CB-CD1 4.33Å; L38-L94 HydrophobicContact CB-CD2 3.93Å
39T86.9Confident79Confident2 Ų263.4 Ų63.41%0.01235%0.346CS..Hα-helixtrans-69.1-30.9179.150.10000113.1L35 H36 Y41 L42 D43 L90 L94L35-T39 PolarHBondContact O-N 2.93Å; L35-T39 PolarHBondContact O-OG1 3.27Å; H36-T39 VanDerWaalsContact CA-OG1 3.27Å; H36-T39 WeakPolarHBondContact CA-OG1 3.41Å; H36-T39 PolarHBondContact O-N 3.11Å; H36-T39 PolarHBondContact O-OG1 3.06Å; T39-Y41 PolarHBondContact O-N 3.04Å; T39-L42 WeakPolarHBondContact O-CA 3.44Å; T39-L42 WeakPolarHBondContact O-CB 3.44Å; T39-L42 PolarHBondContact O-N 3.37Å; T39-D43 PolarHBondContact O-N 3.5Å; T39-L90 WeakPolarHBondContact CG2-O 3.46Å; T39-L94 HydrophobicContact CG2-CD1 4.45Å; T39-L94 HydrophobicContact CG2-CD2 3.68Å; T39-L94 HydrophobicContact CG2-CG 3.71Å
40S87.6Confident78.7Confident32 Ų3258 Ų5822%0.22432%0.321CS..Hα-helixtrans-66.8-23.8-179.361.20000112.7H36 T37 L38 L42 D43 I50H36-S40 PolarHBondContact O-N 3.19Å; H36-S40 PolarHBondContact O-OG 3.42Å; T37-S40 PolarHBondContact O-OG 3.31Å; L38-S40 VanDerWaalsContact C-N 3.34Å; L38-S40 PolarHBondContact O-N 3.03Å; S40-L42 PolarHBondContact O-N 3.25Å; S40-D43 PolarHBondContact O-N 3.48Å; S40-I50 VanDerWaalsContact C-CD1 3.49Å; S40-I50 WeakPolarHBondContact OG-CD1 3.49Å
41Y86Confident78.5Confident17 Ų1757.4 Ų57.47%0.06732%0.324CS..THydrogen-bonded Turntrans-67.8-12.8170.3-72.1-73.8000113.5V11 S14 T37 L38 T39 I50 Q54 R55 F58V11-Y41 HydrophobicContact CG1-CE1 4.42Å; V11-Y41 HydrophobicContact CG2-CE1 4.06Å; S14-Y41 VanDerWaalsContact CB-OH 3.29Å; S14-Y41 WeakPolarHBondContact CB-OH 3.32Å; S14-Y41 PolarHBondContact OG-OH 3.16Å; T37-Y41 HydrophobicContact CG2-CE2 4.46Å; T37-Y41 WeakPolarHBondContact O-CD2 3.26Å; T37-Y41 WeakPolarHBondContact O-CE2 3.39Å; L38-Y41 PolarHBondContact O-N 3.28Å; T39-Y41 PolarHBondContact O-N 3.04Å; Y41-I50 HydrophobicContact CD1-CD1 3.71Å; Y41-I50 HydrophobicContact CD1-CG2 3.76Å; Y41-I50 HydrophobicContact CD2-CD1 4.23Å; Y41-I50 HydrophobicContact CE1-CD1 3.84Å; Y41-I50 HydrophobicContact CE1-CG1 4.4Å; Y41-I50 HydrophobicContact CE1-CG2 3.97Å; Y41-I50 HydrophobicContact CE2-CD1 4.37Å; Y41-I50 HydrophobicContact CG-CD1 3.88Å; Y41-Q54 HydrophobicContact CE1-CB 4.4Å; Y41-R55 WeakPolarHBondContact O-CG 3.12Å; Y41-F58 VanDerWaalsContact CB-CD1 3.44Å; Y41-F58 HydrophobicContact CD1-CB 4.09Å; Y41-F58 HydrophobicContact CD1-CG 4.34Å; Y41-F58 HydrophobicContact CD2-CD2 4.33Å; Y41-F58 HydrophobicContact CD2-CE2 4.49Å; Y41-F58 HydrophobicContact CG-CB 4.2Å; Y41-F58 HydrophobicContact CG-CD1 4.23Å; Y41-F58 HydrophobicContact CG-CD2 4.2Å; Y41-F58 AromaticContact CG-CG 3.96Å; Y41-F58 HydrophobicContact CG-CG 3.96Å
42L83.8Confident78.3Confident20 Ų2061.7 Ų61.711%0.10535%0.354CS..THydrogen-bonded Turntrans-106.5-8.2179.8-56.3179.4000113.4T39 S40 F58 Y63 L94 R97T39-L42 WeakPolarHBondContact O-CA 3.44Å; T39-L42 WeakPolarHBondContact O-CB 3.44Å; T39-L42 PolarHBondContact O-N 3.37Å; S40-L42 PolarHBondContact O-N 3.25Å; L42-F58 HydrophobicContact CD2-CD1 3.95Å; L42-F58 HydrophobicContact CD2-CE1 3.67Å; L42-F58 HydrophobicContact CG-CE1 4.13Å; L42-Y63 HydrophobicContact CD1-CE2 3.8Å; L42-Y63 HydrophobicContact CD2-CD2 3.98Å; L42-Y63 HydrophobicContact CD2-CE2 3.87Å; L42-Y63 HydrophobicContact CG-CE2 4.44Å; L42-L94 HydrophobicContact CD1-CD2 3.76Å; L42-R97 HydrophobicContact CB-CB 4.18Å; L42-R97 HydrophobicContact CD1-CB 4.41Å
43D77Confident78.1Confident57 Ų5763.2 Ų63.231%0.30537%0.368SS..  trans-88.3125.3-176.6-74.6-33.4000111.7T39 S40 R55 R97T39-D43 PolarHBondContact O-N 3.5Å; S40-D43 PolarHBondContact O-N 3.48Å; D43-R55 PolarHBondContact O-NE 3.49Å; D43-R97 IonicContact OD1-CZ 2.65Å; D43-R97 IonicContact OD1-NH1 3.78Å; D43-R97 PolarHBondContact OD1-NH1 2.94Å; D43-R97 IonicContact OD2-NH1 2.68Å; D43-R97 PolarHBondContact OD2-NH1 3.16Å
44D64.1Low77.9Confident137 Ų13758.6 Ų58.673%0.73335%0.348SS*.  trans-95.212.6176.3-94-10.3000113.1R55D44-R55 IonicContact OD1-CZ 3.28Å; D44-R55 IonicContact OD1-NH1 3.58Å; D44-R55 PolarHBondContact OD1-NH1 2.76Å
45G63.4Low77.7Confident37 Ų3760.2 Ų60.238%0.38135%0.353SS..  trans-68.3151.4-177.100000114Q47 S48G45-Q47 PolarHBondContact O-N 2.99Å; G45-S48 WeakPolarHBondContact O-CB 3.19Å; G45-S48 PolarHBondContact O-N 3.16Å
46P53.7Low77.5Confident144 Ų14463.1 Ų63.194%0.93538%0.377SS*.THydrogen-bonded Turntrans-64.3-9.7-179.525.6-34.2000114.5
47Q53.8Low77.4Confident189 Ų18960.9 Ų60.988%0.88337%0.367SS*.THydrogen-bonded Turntrans-99.78.3175.8-61.2-163-5.600113.8G45 T49G45-Q47 PolarHBondContact O-N 2.99Å; Q47-T49 PolarHBondContact O-N 3.29Å
48S64.1Low77.5Confident37 Ų3758.3 Ų58.326%0.25935%0.351SS..  trans-67.5122.3178.2151.70000111.7G45 I50 R55G45-S48 WeakPolarHBondContact O-CB 3.19Å; G45-S48 PolarHBondContact O-N 3.16Å; S48-I50 PolarHBondContact O-N 2.8Å; S48-I50 PolarHBondContact OG-N 2.94Å; S48-I50 PolarHBondContact OG-O 2.98Å; S48-R55 PolarHBondContact OG-NH2 2.82Å
49T69Low77.5Confident136 Ų13659.7 Ų59.783%0.83436%0.361SS*.  trans-75.3-10171.851.60000113.8Q47Q47-T49 PolarHBondContact O-N 3.29Å
50I79.9Confident77.4Confident17 Ų1769 Ų699%0.08740%0.395CS..SBendtrans-94135.2-176.5-65170.1000110.8S40 Y41 S48 Q54 R55S40-I50 VanDerWaalsContact C-CD1 3.49Å; S40-I50 WeakPolarHBondContact OG-CD1 3.49Å; Y41-I50 HydrophobicContact CD1-CD1 3.71Å; Y41-I50 HydrophobicContact CD1-CG2 3.76Å; Y41-I50 HydrophobicContact CD2-CD1 4.23Å; Y41-I50 HydrophobicContact CE1-CD1 3.84Å; Y41-I50 HydrophobicContact CE1-CG1 4.4Å; Y41-I50 HydrophobicContact CE1-CG2 3.97Å; Y41-I50 HydrophobicContact CE2-CD1 4.37Å; Y41-I50 HydrophobicContact CG-CD1 3.88Å; S48-I50 PolarHBondContact O-N 2.8Å; S48-I50 PolarHBondContact OG-N 2.94Å; S48-I50 PolarHBondContact OG-O 2.98Å; I50-Q54 HydrophobicContact CG2-CB 3.68Å; I50-R55 HydrophobicContact CG2-CG 3.79Å; I50-R55 PolarHBondContact O-NH2 2.93Å
51T81.5Confident77.3Confident73 Ų7369.2 Ų69.245%0.44840%0.399SS..  trans-73.5153.4-179.963.40000112.2A53 Q54 R55T51-A53 PolarHBondContact O-N 3.04Å; T51-Q54 PolarHBondContact O-N 2.9Å; T51-Q54 VanDerWaalsContact O-N 3.12Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.3Å; T51-Q54 VanDerWaalsContact OG1-CD 3.24Å; T51-Q54 VanDerWaalsContact OG1-CG 3.23Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.43Å; T51-Q54 PolarHBondContact OG1-N 3.24Å; T51-Q54 PolarHBondContact OG1-OE1 3.43Å; T51-R55 PolarHBondContact O-N 3.39Å; T51-R55 VanDerWaalsContact O-N 3.1Å
52S80.3Confident77.5Confident90 Ų9069.2 Ų69.263%0.62940%0.4SS*.Hα-helixtrans-58.3-34.3176.356.30000112.9R55 A56S52-R55 PolarHBondContact O-N 2.97Å; S52-A56 WeakPolarHBondContact O-CB 3.3Å; S52-A56 PolarHBondContact O-N 3.45Å
53A81.5Confident78Confident51 Ų5168.3 Ų68.342%0.42140%0.395SS..Hα-helixtrans-64.4-42.7175.500000112.3T51 A56 E57T51-A53 PolarHBondContact O-N 3.04Å; A53-A56 PolarHBondContact O-N 2.8Å; A53-E57 WeakPolarHBondContact O-CB 3.38Å; A53-E57 PolarHBondContact O-N 3.48Å
54Q83.8Confident78.7Confident32 Ų3267.9 Ų67.915%0.1540%0.395CS..Hα-helixtrans-66.9-37.4176.5-73.4165.1-29.600111.9P7 E10 V11 Y41 I50 T51 E57 F58P7-Q54 HydrophobicContact CB-CG 4.09Å; E10-Q54 PolarHBondContact OE2-NE2 3.27Å; V11-Q54 HydrophobicContact CG2-CB 3.78Å; V11-Q54 HydrophobicContact CG2-CG 3.87Å; Y41-Q54 HydrophobicContact CE1-CB 4.4Å; I50-Q54 HydrophobicContact CG2-CB 3.68Å; T51-Q54 PolarHBondContact O-N 2.9Å; T51-Q54 VanDerWaalsContact O-N 3.12Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.3Å; T51-Q54 VanDerWaalsContact OG1-CD 3.24Å; T51-Q54 VanDerWaalsContact OG1-CG 3.23Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.43Å; T51-Q54 PolarHBondContact OG1-N 3.24Å; T51-Q54 PolarHBondContact OG1-OE1 3.43Å; Q54-E57 PolarHBondContact O-N 3.18Å; Q54-F58 WeakPolarHBondContact O-CB 3.48Å; Q54-F58 PolarHBondContact O-N 3.15Å
55R84.7Confident80Confident49 Ų4969.8 Ų69.819%0.18539%0.392CS..Hα-helixtrans-66.4-42.5175.1-63.5-171.6-132.9129.89.1112.5Y41 D43 D44 S48 I50 T51 S52 E57 F58 S59Y41-R55 WeakPolarHBondContact O-CG 3.12Å; D43-R55 PolarHBondContact O-NE 3.49Å; D44-R55 IonicContact OD1-CZ 3.28Å; D44-R55 IonicContact OD1-NH1 3.58Å; D44-R55 PolarHBondContact OD1-NH1 2.76Å; S48-R55 PolarHBondContact OG-NH2 2.82Å; I50-R55 HydrophobicContact CG2-CG 3.79Å; I50-R55 PolarHBondContact O-NH2 2.93Å; T51-R55 PolarHBondContact O-N 3.39Å; T51-R55 VanDerWaalsContact O-N 3.1Å; S52-R55 PolarHBondContact O-N 2.97Å; R55-E57 VanDerWaalsContact C-N 3.33Å; R55-F58 PolarHBondContact O-N 2.95Å; R55-S59 VanDerWaalsContact O-CB 3.32Å; R55-S59 WeakPolarHBondContact O-CB 3.32Å; R55-S59 PolarHBondContact O-N 3.22Å; R55-S59 PolarHBondContact O-OG 2.94Å
56A83.4Confident81.4Confident61 Ų6168.2 Ų68.250%0.50438%0.375SS..Hα-helixtrans-62-43176.800000111.1S52 A53 S59 R60S52-A56 WeakPolarHBondContact O-CB 3.3Å; S52-A56 PolarHBondContact O-N 3.45Å; A53-A56 PolarHBondContact O-N 2.8Å; A56-S59 PolarHBondContact O-N 3.31Å; A56-R60 VanDerWaalsContact O-CB 3.23Å; A56-R60 WeakPolarHBondContact O-CB 3.42Å; A56-R60 PolarHBondContact O-N 2.93Å
57E86.1Confident83.3Confident43 Ų4361.4 Ų61.420%0.20133%0.33CS..Hα-helixtrans-65.9-45.7177.1-169.956.2-139.200112.1D8 A53 Q54 R55 S59 R60 A61D8-E57 HydrophobicContact CB-CG 4.41Å; A53-E57 WeakPolarHBondContact O-CB 3.38Å; A53-E57 PolarHBondContact O-N 3.48Å; Q54-E57 PolarHBondContact O-N 3.18Å; R55-E57 VanDerWaalsContact C-N 3.33Å; E57-S59 VanDerWaalsContact C-N 3.35Å; E57-S59 PolarHBondContact O-N 3.16Å; E57-R60 PolarHBondContact O-N 3.45Å; E57-A61 PolarHBondContact O-N 2.99Å; E57-A61 VanDerWaalsContact OE1-CB 3.28Å; E57-A61 WeakPolarHBondContact OE1-CB 3.49Å
58F89.1Confident85.2Confident0 Ų057 Ų570%031%0.31CS..Iπ-helixtrans-56.6-49.5175178.9-106.9000111.5V11 V15 L38 Y41 L42 Q54 R55 R60 H62 Y63V11-F58 HydrophobicContact CG1-CB 3.97Å; V11-F58 HydrophobicContact CG1-CD2 4.22Å; V15-F58 HydrophobicContact CG2-CD2 3.68Å; V15-F58 HydrophobicContact CG2-CE2 3.68Å; L38-F58 HydrophobicContact CD2-CE2 4.33Å; Y41-F58 VanDerWaalsContact CB-CD1 3.44Å; Y41-F58 HydrophobicContact CD1-CB 4.09Å; Y41-F58 HydrophobicContact CD1-CG 4.34Å; Y41-F58 HydrophobicContact CD2-CD2 4.33Å; Y41-F58 HydrophobicContact CD2-CE2 4.49Å; Y41-F58 HydrophobicContact CG-CB 4.2Å; Y41-F58 HydrophobicContact CG-CD1 4.23Å; Y41-F58 HydrophobicContact CG-CD2 4.2Å; Y41-F58 AromaticContact CG-CG 3.96Å; Y41-F58 HydrophobicContact CG-CG 3.96Å; L42-F58 HydrophobicContact CD2-CD1 3.95Å; L42-F58 HydrophobicContact CD2-CE1 3.67Å; L42-F58 HydrophobicContact CG-CE1 4.13Å; Q54-F58 WeakPolarHBondContact O-CB 3.48Å; Q54-F58 PolarHBondContact O-N 3.15Å; R55-F58 PolarHBondContact O-N 2.95Å; F58-R60 VanDerWaalsContact C-N 3.29Å; F58-R60 PolarHBondContact O-N 3.38Å; F58-H62 HydrophobicContact CD2-CB 3.8Å; F58-H62 HydrophobicContact CE2-CB 4.17Å; F58-H62 CarbonylContact O-C 3.5Å; F58-H62 PolarHBondContact O-N 3.21Å; F58-Y63 HydrophobicContact CD1-CD2 4.41Å; F58-Y63 AromaticContact CE1-CD2 3.64Å; F58-Y63 HydrophobicContact CE1-CD2 3.64Å; F58-Y63 HydrophobicContact CE1-CE2 4.49Å; F58-Y63 HydrophobicContact CE1-CG 4.48Å; F58-Y63 HydrophobicContact CZ-CD2 4.13Å; F58-Y63 WeakPolarHBondContact O-CB 3.48Å; F58-Y63 PolarHBondContact O-N 3.41Å
59S87.1Confident86.5Confident30 Ų3056.8 Ų56.821%0.2130%0.304CS..Iπ-helixtrans-61.9-35.1179.6-61.40000112.7R55 A56 E57 Q102R55-S59 VanDerWaalsContact O-CB 3.32Å; R55-S59 WeakPolarHBondContact O-CB 3.32Å; R55-S59 PolarHBondContact O-N 3.22Å; R55-S59 PolarHBondContact O-OG 2.94Å; A56-S59 PolarHBondContact O-N 3.31Å; E57-S59 VanDerWaalsContact C-N 3.35Å; E57-S59 PolarHBondContact O-N 3.16Å; S59-Q102 PolarHBondContact O-NE2 2.88Å; S59-Q102 PolarHBondContact O-OE1 3.06Å
60R85.6Confident87.5Confident196 Ų19650.3 Ų50.374%0.7426%0.264SS*.Iπ-helixtrans-82.7-46.1-176.3-175.4-178.8120.61222113.3A56 E57 F58A56-R60 VanDerWaalsContact O-CB 3.23Å; A56-R60 WeakPolarHBondContact O-CB 3.42Å; A56-R60 PolarHBondContact O-N 2.93Å; E57-R60 PolarHBondContact O-N 3.45Å; F58-R60 VanDerWaalsContact C-N 3.29Å; F58-R60 PolarHBondContact O-N 3.38Å
61A86.3Confident88Confident37 Ų3750.2 Ų50.231%0.30626%0.264SS..Iπ-helixtrans-109.1-24.7-16700000114.5E57E57-A61 PolarHBondContact O-N 2.99Å; E57-A61 VanDerWaalsContact OE1-CB 3.28Å; E57-A61 WeakPolarHBondContact OE1-CB 3.49Å
62H90Very high88.3Confident18 Ų1850.9 Ų50.98%0.08327%0.272CS..Iπ-helixtrans-117.6-30.4-168.1-63.9-63.6000114.1V15 F58 T64 R65 T66V15-H62 HydrophobicContact CG1-CB 4.44Å; V15-H62 HydrophobicContact CG2-CB 4.33Å; F58-H62 HydrophobicContact CD2-CB 3.8Å; F58-H62 HydrophobicContact CE2-CB 4.17Å; F58-H62 CarbonylContact O-C 3.5Å; F58-H62 PolarHBondContact O-N 3.21Å; H62-T64 PolarHBondContact O-N 3.25Å; H62-R65 PolarHBondContact O-N 2.96Å; H62-R65 VanDerWaalsContact O-N 3.15Å; H62-T66 PolarHBondContact O-N 2.72Å; H62-T66 PolarHBondContact O-OG1 3.14Å
63Y92.8Very high88.6Confident1 Ų148.7 Ų48.70%0.00425%0.253CS..Hα-helixtrans-58.1-50.4-170.8-176.7-109.3000113.9L42 F58 R65 T66 L67 L94 G98 P99 Q102 T103L42-Y63 HydrophobicContact CD1-CE2 3.8Å; L42-Y63 HydrophobicContact CD2-CD2 3.98Å; L42-Y63 HydrophobicContact CD2-CE2 3.87Å; L42-Y63 HydrophobicContact CG-CE2 4.44Å; F58-Y63 HydrophobicContact CD1-CD2 4.41Å; F58-Y63 AromaticContact CE1-CD2 3.64Å; F58-Y63 HydrophobicContact CE1-CD2 3.64Å; F58-Y63 HydrophobicContact CE1-CE2 4.49Å; F58-Y63 HydrophobicContact CE1-CG 4.48Å; F58-Y63 HydrophobicContact CZ-CD2 4.13Å; F58-Y63 WeakPolarHBondContact O-CB 3.48Å; F58-Y63 PolarHBondContact O-N 3.41Å; Y63-R65 VanDerWaalsContact C-N 3.31Å; Y63-R65 PolarHBondContact O-N 2.86Å; Y63-T66 WeakPolarHBondContact O-CB 3.35Å; Y63-T66 PolarHBondContact O-N 2.85Å; Y63-T66 VanDerWaalsContact O-N 3.16Å; Y63-L67 HydrophobicContact CD1-CD1 4.18Å; Y63-L67 HydrophobicContact CD1-CG 4.47Å; Y63-L67 HydrophobicContact CE1-CD1 3.51Å; Y63-L67 HydrophobicContact CE1-CG 4.09Å; Y63-L67 HydrophobicContact CE2-CD1 4.36Å; Y63-L67 HydrophobicContact CE2-CD2 4.16Å; Y63-L67 HydrophobicContact CE2-CG 4.18Å; Y63-L67 PolarHBondContact O-N 3.05Å; Y63-L94 PolarHBondContact OH-O 3.22Å; Y63-G98 WeakPolarHBondContact OH-CA 3.44Å; Y63-P99 HydrophobicContact CD1-CB 4.24Å; Y63-P99 HydrophobicContact CD1-CG 3.92Å; Y63-P99 HydrophobicContact CE1-CB 4.24Å; Y63-P99 VanDerWaalsContact CE1-CD 3.43Å; Y63-P99 HydrophobicContact CE1-CG 4.18Å; Y63-P99 HydrophobicContact CG-CG 4.38Å; Y63-Q102 HydrophobicContact CD1-CB 3.91Å; Y63-Q102 HydrophobicContact CE1-CB 4.14Å; Y63-T103 PolarHBondContact OH-OG1 3.1Å
64T92.1Very high88.7Confident48 Ų4846.9 Ų46.929%0.29424%0.236SC..Hα-helixtrans-55.2-45176.8-63.70000111.9H62 L67 Q68 Q102 V106H62-T64 PolarHBondContact O-N 3.25Å; T64-L67 PolarHBondContact O-N 3.21Å; T64-Q68 WeakPolarHBondContact O-CG 3.41Å; T64-Q68 PolarHBondContact O-N 2.89Å; T64-Q102 PolarHBondContact OG1-OE1 2.83Å; T64-V106 HydrophobicContact CG2-CG2 3.85Å
65R92.1Very high88.6Confident177 Ų17750.5 Ų50.567%0.66826%0.256SS*.Hα-helixtrans-67.4-38.4-180-68.9179.3-178.81642.1111.8H62 Y63 Q68 F69H62-R65 PolarHBondContact O-N 2.96Å; H62-R65 VanDerWaalsContact O-N 3.15Å; Y63-R65 VanDerWaalsContact C-N 3.31Å; Y63-R65 PolarHBondContact O-N 2.86Å; R65-Q68 PolarHBondContact O-N 3.44Å; R65-F69 WeakPolarHBondContact O-CB 3.31Å; R65-F69 PolarHBondContact O-N 3.48Å
66T92.7Very high88.4Confident4 Ų449.1 Ų49.13%0.02526%0.255CS..Hα-helixtrans-59.7-51.3174.1-54.60000109.8L38 H62 Y63 Q68 F69 L70L38-T66 HydrophobicContact CD1-CG2 4.07Å; L38-T66 HydrophobicContact CD2-CG2 4.21Å; H62-T66 PolarHBondContact O-N 2.72Å; H62-T66 PolarHBondContact O-OG1 3.14Å; Y63-T66 WeakPolarHBondContact O-CB 3.35Å; Y63-T66 PolarHBondContact O-N 2.85Å; Y63-T66 VanDerWaalsContact O-N 3.16Å; T66-Q68 PolarHBondContact O-N 3.45Å; T66-F69 WeakPolarHBondContact O-CB 3.37Å; T66-F69 PolarHBondContact O-N 2.91Å; T66-L70 VanDerWaalsContact O-CG 3.26Å; T66-L70 WeakPolarHBondContact O-CG 3.49Å; T66-L70 PolarHBondContact O-N 3.29Å
67L93.7Very high88.1Confident1 Ų152.2 Ų52.21%0.00526%0.264CS..Hα-helixtrans-61.7-40.8178.4-66.6-170.5000112.8Y63 T64 F69 L70 I71 L94 F95 V106Y63-L67 HydrophobicContact CD1-CD1 4.18Å; Y63-L67 HydrophobicContact CD1-CG 4.47Å; Y63-L67 HydrophobicContact CE1-CD1 3.51Å; Y63-L67 HydrophobicContact CE1-CG 4.09Å; Y63-L67 HydrophobicContact CE2-CD1 4.36Å; Y63-L67 HydrophobicContact CE2-CD2 4.16Å; Y63-L67 HydrophobicContact CE2-CG 4.18Å; Y63-L67 PolarHBondContact O-N 3.05Å; T64-L67 PolarHBondContact O-N 3.21Å; L67-F69 VanDerWaalsContact C-N 3.34Å; L67-F69 PolarHBondContact O-N 3.49Å; L67-L70 HydrophobicContact CD2-CD1 4.23Å; L67-L70 WeakPolarHBondContact O-CB 3.39Å; L67-L70 PolarHBondContact O-N 3.5Å; L67-L70 VanDerWaalsContact O-N 3.15Å; L67-I71 WeakPolarHBondContact O-CG1 3.21Å; L67-I71 PolarHBondContact O-N 3.26Å; L67-L94 HydrophobicContact CD2-CB 4.4Å; L67-F95 HydrophobicContact CB-CE1 4.33Å; L67-F95 HydrophobicContact CD1-CD1 4.19Å; L67-F95 HydrophobicContact CD1-CE1 4.34Å; L67-F95 HydrophobicContact CD2-CD1 3.89Å; L67-F95 HydrophobicContact CD2-CE1 3.79Å; L67-F95 HydrophobicContact CD2-CE2 4.41Å; L67-F95 HydrophobicContact CD2-CG 4.25Å; L67-F95 HydrophobicContact CD2-CZ 4.06Å; L67-F95 HydrophobicContact CG-CE1 4.38Å; L67-V106 HydrophobicContact CB-CB 4.3Å; L67-V106 HydrophobicContact CB-CG1 3.68Å; L67-V106 HydrophobicContact CB-CG2 4.44Å; L67-V106 HydrophobicContact CD1-CB 4.4Å
68Q93.1Very high87.9Confident96 Ų9651 Ų5145%0.44926%0.257SS..Hα-helixtrans-60.9-43.2175.2-75173-24.100111.7T64 R65 T66 L70 I71 S72 V106T64-Q68 WeakPolarHBondContact O-CG 3.41Å; T64-Q68 PolarHBondContact O-N 2.89Å; R65-Q68 PolarHBondContact O-N 3.44Å; T66-Q68 PolarHBondContact O-N 3.45Å; Q68-L70 VanDerWaalsContact C-N 3.3Å; Q68-L70 PolarHBondContact O-N 3.41Å; Q68-I71 PolarHBondContact O-N 3.31Å; Q68-S72 PolarHBondContact O-N 3.49Å; Q68-S72 PolarHBondContact O-OG 3.4Å; Q68-V106 HydrophobicContact CG-CG1 4.13Å; Q68-V106 HydrophobicContact CG-CG2 4.27Å
69F91.3Very high87.4Confident33 Ų3351.5 Ų51.515%0.14526%0.26CS..Hα-helixtrans-61.5-38.8173.5170.1-96000112V19 L22 T23 R65 T66 L67 S72 N73V19-F69 HydrophobicContact CG1-CD1 4.46Å; V19-F69 HydrophobicContact CG1-CD2 3.85Å; V19-F69 HydrophobicContact CG1-CE1 4.33Å; V19-F69 HydrophobicContact CG1-CE2 3.69Å; V19-F69 HydrophobicContact CG1-CG 4.24Å; V19-F69 HydrophobicContact CG1-CZ 3.96Å; V19-F69 HydrophobicContact CG2-CD1 4.35Å; L22-F69 HydrophobicContact CB-CE1 4.06Å; L22-F69 HydrophobicContact CB-CZ 4.19Å; L22-F69 HydrophobicContact CD1-CE1 4.04Å; T23-F69 HydrophobicContact CG2-CE2 3.54Å; T23-F69 HydrophobicContact CG2-CZ 3.59Å; R65-F69 WeakPolarHBondContact O-CB 3.31Å; R65-F69 PolarHBondContact O-N 3.48Å; T66-F69 WeakPolarHBondContact O-CB 3.37Å; T66-F69 PolarHBondContact O-N 2.91Å; L67-F69 VanDerWaalsContact C-N 3.34Å; L67-F69 PolarHBondContact O-N 3.49Å; F69-S72 WeakPolarHBondContact CA-OG 3.27Å; F69-S72 PolarHBondContact O-OG 2.97Å; F69-N73 VanDerWaalsContact CD2-ND2 3.3Å; F69-N73 WeakPolarHBondContact CD2-ND2 3.01Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.4Å; F69-N73 WeakPolarHBondContact O-CB 3.18Å; F69-N73 PolarHBondContact O-N 3.12Å; F69-N73 PolarHBondContact O-ND2 3.46Å
70L90.4Very high87Confident0 Ų057.5 Ų57.50%028%0.284CS..Hα-helixtrans-63.5-47.1176.3-64.2-163.3000111.5T66 L67 Q68 N73 I74 W91 L94 F95T66-L70 VanDerWaalsContact O-CG 3.26Å; T66-L70 WeakPolarHBondContact O-CG 3.49Å; T66-L70 PolarHBondContact O-N 3.29Å; L67-L70 HydrophobicContact CD2-CD1 4.23Å; L67-L70 WeakPolarHBondContact O-CB 3.39Å; L67-L70 PolarHBondContact O-N 3.5Å; L67-L70 VanDerWaalsContact O-N 3.15Å; Q68-L70 VanDerWaalsContact C-N 3.3Å; Q68-L70 PolarHBondContact O-N 3.41Å; L70-N73 CarbonylContact O-C 3.54Å; L70-N73 PolarHBondContact O-N 3.17Å; L70-I74 PolarHBondContact O-N 3.34Å; L70-W91 VanDerWaalsContact CA-CH2 3.41Å; L70-W91 HydrophobicContact CB-CH2 3.22Å; L70-W91 HydrophobicContact CB-CZ2 3.44Å; L70-W91 VanDerWaalsContact CB-CZ2 3.44Å; L70-W91 HydrophobicContact CB-CZ3 3.83Å; L70-W91 HydrophobicContact CD1-CD2 4.24Å; L70-W91 HydrophobicContact CD1-CE3 3.85Å; L70-W91 HydrophobicContact CD1-CH2 3.86Å; L70-W91 HydrophobicContact CD1-CZ2 4.21Å; L70-W91 HydrophobicContact CD1-CZ3 3.56Å; L70-W91 HydrophobicContact CD2-CE3 4.12Å; L70-W91 HydrophobicContact CD2-CH2 3.33Å; L70-W91 HydrophobicContact CD2-CZ2 4.38Å; L70-W91 HydrophobicContact CD2-CZ3 3.08Å; L70-W91 HydrophobicContact CG-CE3 4.36Å; L70-W91 HydrophobicContact CG-CH2 3.53Å; L70-W91 HydrophobicContact CG-CZ2 4.13Å; L70-W91 HydrophobicContact CG-CZ3 3.57Å; L70-W91 WeakPolarHBondContact O-CZ2 3.36Å; L70-L94 HydrophobicContact CD1-CB 4.17Å; L70-L94 HydrophobicContact CD1-CD1 3.6Å; L70-L94 HydrophobicContact CD1-CG 4.49Å; L70-F95 HydrophobicContact CB-CZ 4.2Å; L70-F95 HydrophobicContact CD1-CE2 4.03Å; L70-F95 HydrophobicContact CD1-CZ 4.27Å
71I90.6Very high86.8Confident14 Ų1451.6 Ų51.67%0.07227%0.267CS..Hα-helixtrans-64.9-42178.8-65.7-171.8000111.4L67 Q68 N73 I74 F95 V106 L107 L124L67-I71 WeakPolarHBondContact O-CG1 3.21Å; L67-I71 PolarHBondContact O-N 3.26Å; Q68-I71 PolarHBondContact O-N 3.31Å; I71-N73 PolarHBondContact O-N 3.46Å; I71-I74 WeakPolarHBondContact O-CB 3.42Å; I71-I74 WeakPolarHBondContact O-CG2 3.31Å; I71-I74 PolarHBondContact O-N 3.13Å; I71-F95 HydrophobicContact CD1-CE1 4.23Å; I71-F95 HydrophobicContact CG1-CE1 4.15Å; I71-F95 HydrophobicContact CG1-CZ 4.09Å; I71-V106 HydrophobicContact CD1-CG1 3.51Å; I71-V106 WeakPolarHBondContact CD1-O 3.18Å; I71-V106 HydrophobicContact CG1-CG1 4.36Å; I71-L107 HydrophobicContact CD1-CD2 4.49Å; I71-L124 HydrophobicContact CD1-CD2 3.97Å; I71-L124 HydrophobicContact CG1-CD2 3.94Å; I71-L124 HydrophobicContact CG2-CD1 4.12Å
72S88.3Confident86.5Confident88 Ų8850.5 Ų50.562%0.61526%0.256SS*.Hα-helixtrans-63.8-25178.1640000113Q68 F69Q68-S72 PolarHBondContact O-N 3.49Å; Q68-S72 PolarHBondContact O-OG 3.4Å; F69-S72 WeakPolarHBondContact CA-OG 3.27Å; F69-S72 PolarHBondContact O-OG 2.97Å
73N86.2Confident86.2Confident44 Ų4452.5 Ų52.524%0.23527%0.269CS..THydrogen-bonded Turntrans-106.523.2179.4-67.9-76.2000112.9F69 L70 I71 N75 A76 L79F69-N73 VanDerWaalsContact CD2-ND2 3.3Å; F69-N73 WeakPolarHBondContact CD2-ND2 3.01Å; F69-N73 WeakPolarHBondContact CE2-ND2 3.4Å; F69-N73 WeakPolarHBondContact O-CB 3.18Å; F69-N73 PolarHBondContact O-N 3.12Å; F69-N73 PolarHBondContact O-ND2 3.46Å; L70-N73 CarbonylContact O-C 3.54Å; L70-N73 PolarHBondContact O-N 3.17Å; I71-N73 PolarHBondContact O-N 3.46Å; N73-N75 PolarHBondContact O-N 3.3Å; N73-N75 VanDerWaalsContact O-N 3.12Å; N73-A76 HydrophobicContact CB-CB 4.09Å; N73-A76 WeakPolarHBondContact O-CB 3.34Å; N73-A76 PolarHBondContact O-N 3.33Å; N73-L79 VanDerWaalsContact O-CD1 3.27Å; N73-L79 WeakPolarHBondContact O-CD1 3.48Å
74I83.6Confident85.6Confident12 Ų1258 Ų586%0.06230%0.303CS..THydrogen-bonded Turntrans-61.8-24-176-160.6159.8000114L70 I71 M114 G120 R123 L124L70-I74 PolarHBondContact O-N 3.34Å; I71-I74 WeakPolarHBondContact O-CB 3.42Å; I71-I74 WeakPolarHBondContact O-CG2 3.31Å; I71-I74 PolarHBondContact O-N 3.13Å; I74-M114 HydrophobicContact CG2-CE 3.69Å; I74-G120 VanDerWaalsContact CD1-O 3.27Å; I74-G120 WeakPolarHBondContact CD1-O 3.28Å; I74-R123 HydrophobicContact CD1-CB 4.42Å; I74-L124 HydrophobicContact CD1-CD1 4.29Å; I74-L124 HydrophobicContact CD1-CD2 3.64Å; I74-L124 HydrophobicContact CD1-CG 3.58Å
75N80.4Confident85.2Confident109 Ų10959.5 Ų59.558%0.58331%0.314SS*.THydrogen-bonded Turntrans-10011177.5-63.7-31.9000113N73N73-N75 PolarHBondContact O-N 3.3Å; N73-N75 VanDerWaalsContact O-N 3.12Å
76A81.3Confident84.8Confident20 Ų2053.8 Ų53.817%0.16530%0.295CS..  trans-69.3143.4-176.700000112.2N73 W78 L79N73-A76 HydrophobicContact CB-CB 4.09Å; N73-A76 WeakPolarHBondContact O-CB 3.34Å; N73-A76 PolarHBondContact O-N 3.33Å; A76-W78 HydrophobicContact CB-CG 4.32Å; A76-W78 PolarHBondContact O-N 3.19Å; A76-W78 VanDerWaalsContact O-N 3.14Å; A76-L79 WeakPolarHBondContact O-CB 3.35Å; A76-L79 PolarHBondContact O-N 3.14Å
77D77.5Confident84.3Confident126 Ų12654.2 Ų54.267%0.67430%0.297SS*.Hα-helixtrans-58.2-32-176.4-61.4-26.3000112.8L79 Q80D77-L79 PolarHBondContact O-N 3.05Å; D77-Q80 WeakPolarHBondContact O-CB 3.21Å; D77-Q80 PolarHBondContact O-N 3.05Å
78W81.4Confident83.9Confident18 Ų1857.1 Ų57.17%0.06832%0.315CS..Hα-helixtrans-67.1-23.6-179.566.3-102000112.8L22 V31 L35 A76 Q80 L81 L82 W91L22-W78 HydrophobicContact CD2-CD2 4.41Å; L22-W78 HydrophobicContact CD2-CE3 4.21Å; L22-W78 HydrophobicContact CD2-CH2 4.45Å; L22-W78 HydrophobicContact CD2-CZ3 4.21Å; L22-W78 PolarHBondContact O-NE1 2.89Å; V31-W78 HydrophobicContact CG1-CD2 4.36Å; V31-W78 HydrophobicContact CG1-CE3 3.44Å; V31-W78 VanDerWaalsContact CG1-CE3 3.44Å; V31-W78 HydrophobicContact CG1-CZ3 4.04Å; V31-W78 HydrophobicContact CG2-CB 4.09Å; L35-W78 HydrophobicContact CD1-CZ3 4.13Å; A76-W78 HydrophobicContact CB-CG 4.32Å; A76-W78 PolarHBondContact O-N 3.19Å; A76-W78 VanDerWaalsContact O-N 3.14Å; W78-Q80 VanDerWaalsContact C-N 3.27Å; W78-Q80 PolarHBondContact O-N 3.31Å; W78-L81 HydrophobicContact CB-CD1 4.3Å; W78-L81 WeakPolarHBondContact O-CB 3.41Å; W78-L81 PolarHBondContact O-N 3.47Å; W78-L82 HydrophobicContact CZ3-CD1 4.17Å; W78-W91 AromaticContact CH2-CE3 3.83Å; W78-W91 HydrophobicContact CH2-CE3 3.83Å; W78-W91 AromaticContact CH2-CH2 3.44Å; W78-W91 HydrophobicContact CH2-CH2 3.44Å; W78-W91 VanDerWaalsContact CH2-CH2 3.44Å; W78-W91 HydrophobicContact CH2-CZ2 4.4Å; W78-W91 AromaticContact CH2-CZ3 3.19Å; W78-W91 HydrophobicContact CH2-CZ3 3.19Å; W78-W91 AromaticContact CZ2-CH2 3.85Å; W78-W91 HydrophobicContact CZ2-CH2 3.85Å; W78-W91 AromaticContact CZ2-CZ3 3.96Å; W78-W91 HydrophobicContact CZ2-CZ3 3.96Å; W78-W91 HydrophobicContact CZ3-CE3 4.37Å; W78-W91 HydrophobicContact CZ3-CZ3 4.1Å
79L78.5Confident83.5Confident10 Ų1057.8 Ų57.85%0.05232%0.318CS..Hα-helixtrans-68.2-27.7172.1-97.9141.6000112.1N73 A76 D77 L81 W91N73-L79 VanDerWaalsContact O-CD1 3.27Å; N73-L79 WeakPolarHBondContact O-CD1 3.48Å; A76-L79 WeakPolarHBondContact O-CB 3.35Å; A76-L79 PolarHBondContact O-N 3.14Å; D77-L79 PolarHBondContact O-N 3.05Å; L79-L81 VanDerWaalsContact C-N 3.28Å; L79-W91 HydrophobicContact CD1-CH2 4.03Å; L79-W91 HydrophobicContact CD1-CZ2 3.86Å; L79-W91 HydrophobicContact CD2-CD2 4.03Å; L79-W91 HydrophobicContact CD2-CG 4.19Å; L79-W91 HydrophobicContact CD2-CZ2 4.35Å
80Q79.9Confident83.2Confident156 Ų15656.3 Ų56.373%0.72931%0.312SS*.Hα-helixtrans-75.7-17.2176.6-55.3-1785.100112.4D77 W78 L82D77-Q80 WeakPolarHBondContact O-CB 3.21Å; D77-Q80 PolarHBondContact O-N 3.05Å; W78-Q80 VanDerWaalsContact C-N 3.27Å; W78-Q80 PolarHBondContact O-N 3.31Å; Q80-L82 VanDerWaalsContact C-N 3.3Å
81L80.1Confident83Confident72 Ų7256.4 Ų56.438%0.37731%0.312SS..THydrogen-bonded Turntrans-76-18.2177.3-59175000113.1K26 K28 W78 L79K26-L81 WeakPolarHBondContact O-CD1 3.22Å; K28-L81 VanDerWaalsContact CD-O 3.3Å; K28-L81 WeakPolarHBondContact CD-O 3.5Å; K28-L81 VanDerWaalsContact CE-O 3.24Å; K28-L81 WeakPolarHBondContact CE-O 3.48Å; W78-L81 HydrophobicContact CB-CD1 4.3Å; W78-L81 WeakPolarHBondContact O-CB 3.41Å; W78-L81 PolarHBondContact O-N 3.47Å; L79-L81 VanDerWaalsContact C-N 3.28Å
82L80.9Confident82.9Confident14 Ų1455.9 Ų55.97%0.07331%0.31CS..SBendtrans-86.3140.5-178-65172000110.8V31 T32 L35 W78 Q80 Q86 C87V31-L82 HydrophobicContact CG1-CD1 4.38Å; V31-L82 HydrophobicContact CG1-CD2 4.22Å; V31-L82 HydrophobicContact CG1-CG 4.39Å; T32-L82 HydrophobicContact CG2-CD2 3.44Å; T32-L82 VanDerWaalsContact CG2-CD2 3.44Å; L35-L82 HydrophobicContact CD1-CD1 3.63Å; W78-L82 HydrophobicContact CZ3-CD1 4.17Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; L82-Q86 HydrophobicContact CB-CB 4.48Å; L82-Q86 HydrophobicContact CD2-CB 4.38Å; L82-C87 VanDerWaalsContact CB-SG 3.51Å
83T83.4Confident82.9Confident59 Ų5952 Ų5236%0.36228%0.284SS..  trans-71.3156.6170.460.10000110.2P85 Q86 C87T83-P85 WeakPolarHBondContact OG1-CG 3.31Å; T83-Q86 PolarHBondContact O-N 2.99Å; T83-Q86 VanDerWaalsContact O-N 3.08Å; T83-Q86 VanDerWaalsContact OG1-CG 3.27Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.13Å; T83-Q86 PolarHBondContact OG1-OE1 3.25Å; T83-C87 PolarHBondContact O-N 3.45Å
84V79.8Confident83.1Confident116 Ų11650 Ų5070%0.70327%0.273SS*.Hα-helixtrans-48.1-48.5175.2-178.20000112.9Q86 C87 T88V84-Q86 PolarHBondContact O-N 2.64Å; V84-C87 WeakPolarHBondContact O-CB 3.47Å; V84-C87 PolarHBondContact O-N 3.39Å; V84-T88 WeakPolarHBondContact O-CG2 3.29Å; V84-T88 PolarHBondContact O-N 3.46Å; V84-T88 PolarHBondContact O-OG1 3.11Å
85P83.2Confident83.4Confident81 Ų8149.4 Ų49.453%0.52627%0.27SS..Hα-helixtrans-63.8-40.2177.722.4-33.6000113.3T83 C87 T88 E89T83-P85 WeakPolarHBondContact OG1-CG 3.31Å; P85-C87 VanDerWaalsContact C-N 3.33Å; P85-C87 PolarHBondContact O-N 3.15Å; P85-T88 VanDerWaalsContact CA-OG1 3.31Å; P85-T88 WeakPolarHBondContact CA-OG1 3.24Å; P85-T88 PolarHBondContact O-N 2.89Å; P85-T88 PolarHBondContact O-OG1 3.14Å; P85-E89 WeakPolarHBondContact O-CB 3.36Å; P85-E89 PolarHBondContact O-N 2.99Å
86Q84.4Confident84Confident57 Ų5746 Ų4627%0.26625%0.251SS..Hα-helixtrans-65-39176.7-71.8176.4-29.900111.6L82 T83 V84 L90L82-Q86 HydrophobicContact CB-CB 4.48Å; L82-Q86 HydrophobicContact CD2-CB 4.38Å; T83-Q86 PolarHBondContact O-N 2.99Å; T83-Q86 VanDerWaalsContact O-N 3.08Å; T83-Q86 VanDerWaalsContact OG1-CG 3.27Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.13Å; T83-Q86 PolarHBondContact OG1-OE1 3.25Å; V84-Q86 PolarHBondContact O-N 2.64Å; Q86-L90 VanDerWaalsContact O-CB 3.26Å; Q86-L90 WeakPolarHBondContact O-CB 3.49Å; Q86-L90 WeakPolarHBondContact O-CG 3.37Å; Q86-L90 PolarHBondContact O-N 2.93Å
87C83.3Confident84.3Confident12 Ų1248.7 Ų48.78%0.08126%0.257CS..Iπ-helixtrans-60.4-47.4171.4-88.80000111.4L82 T83 V84 P85 E89 W91 D92 R123L82-C87 VanDerWaalsContact CB-SG 3.51Å; T83-C87 PolarHBondContact O-N 3.45Å; V84-C87 WeakPolarHBondContact O-CB 3.47Å; V84-C87 PolarHBondContact O-N 3.39Å; P85-C87 VanDerWaalsContact C-N 3.33Å; P85-C87 PolarHBondContact O-N 3.15Å; C87-E89 PolarHBondContact O-N 3.4Å; C87-W91 WeakPolarHBondContact O-CA 3.4Å; C87-W91 WeakPolarHBondContact O-CB 3.38Å; C87-W91 PolarHBondContact O-N 3.3Å; C87-D92 PolarHBondContact O-N 2.87Å; C87-R123 PolarHBondContact SG-NH2 3.3Å
88T83.4Confident84.8Confident62 Ų6243.1 Ų43.138%0.3823%0.229SC..Iπ-helixtrans-65.9-38.1-178.951.30000113.1V84 P85 D92 G93V84-T88 WeakPolarHBondContact O-CG2 3.29Å; V84-T88 PolarHBondContact O-N 3.46Å; V84-T88 PolarHBondContact O-OG1 3.11Å; P85-T88 VanDerWaalsContact CA-OG1 3.31Å; P85-T88 WeakPolarHBondContact CA-OG1 3.24Å; P85-T88 PolarHBondContact O-N 2.89Å; P85-T88 PolarHBondContact O-OG1 3.14Å; T88-D92 WeakPolarHBondContact CA-OD2 3.38Å; T88-D92 WeakPolarHBondContact O-CB 3.48Å; T88-G93 PolarHBondContact O-N 3.46Å
89E85.2Confident85.2Confident111 Ų11143.2 Ų43.252%0.51923%0.232SC..Iπ-helixtrans-76.8-47.2-177.9-173.1-175169.600112.1P85 C87 G93 R97P85-E89 WeakPolarHBondContact O-CB 3.36Å; P85-E89 PolarHBondContact O-N 2.99Å; C87-E89 PolarHBondContact O-N 3.4Å; E89-G93 WeakPolarHBondContact O-CA 3.26Å; E89-R97 PolarHBondContact O-NH2 3.49Å
90L84.9Confident85.8Confident2 Ų243.1 Ų43.11%0.0123%0.232CC..Iπ-helixtrans-93-46.8-170.2-55.8179.3000112.4L35 H36 T39 Q86 L94L35-L90 HydrophobicContact CB-CB 3.98Å; L35-L90 HydrophobicContact CB-CD1 4.3Å; L35-L90 HydrophobicContact CD1-CB 4.25Å; H36-L90 WeakPolarHBondContact CE1-CD2 3.4Å; H36-L90 WeakPolarHBondContact ND1-CD2 3.48Å; T39-L90 WeakPolarHBondContact CG2-O 3.46Å; Q86-L90 VanDerWaalsContact O-CB 3.26Å; Q86-L90 WeakPolarHBondContact O-CB 3.49Å; Q86-L90 WeakPolarHBondContact O-CG 3.37Å; Q86-L90 PolarHBondContact O-N 2.93Å; L90-L94 WeakPolarHBondContact O-CG 3.26Å
91W86.9Confident86.3Confident1 Ų136.7 Ų36.70%0.00420%0.203CC..Iπ-helixtrans-78.6-59.2-178.1-172.1-101000111.5L35 L70 W78 L79 C87 G93 L94 F95L35-W91 HydrophobicContact CD1-CE3 4.48Å; L35-W91 HydrophobicContact CD2-CE3 3.85Å; L35-W91 HydrophobicContact CD2-CZ3 4.02Å; L70-W91 VanDerWaalsContact CA-CH2 3.41Å; L70-W91 HydrophobicContact CB-CH2 3.22Å; L70-W91 HydrophobicContact CB-CZ2 3.44Å; L70-W91 VanDerWaalsContact CB-CZ2 3.44Å; L70-W91 HydrophobicContact CB-CZ3 3.83Å; L70-W91 HydrophobicContact CD1-CD2 4.24Å; L70-W91 HydrophobicContact CD1-CE3 3.85Å; L70-W91 HydrophobicContact CD1-CH2 3.86Å; L70-W91 HydrophobicContact CD1-CZ2 4.21Å; L70-W91 HydrophobicContact CD1-CZ3 3.56Å; L70-W91 HydrophobicContact CD2-CE3 4.12Å; L70-W91 HydrophobicContact CD2-CH2 3.33Å; L70-W91 HydrophobicContact CD2-CZ2 4.38Å; L70-W91 HydrophobicContact CD2-CZ3 3.08Å; L70-W91 HydrophobicContact CG-CE3 4.36Å; L70-W91 HydrophobicContact CG-CH2 3.53Å; L70-W91 HydrophobicContact CG-CZ2 4.13Å; L70-W91 HydrophobicContact CG-CZ3 3.57Å; L70-W91 WeakPolarHBondContact O-CZ2 3.36Å; W78-W91 AromaticContact CH2-CE3 3.83Å; W78-W91 HydrophobicContact CH2-CE3 3.83Å; W78-W91 AromaticContact CH2-CH2 3.44Å; W78-W91 HydrophobicContact CH2-CH2 3.44Å; W78-W91 VanDerWaalsContact CH2-CH2 3.44Å; W78-W91 HydrophobicContact CH2-CZ2 4.4Å; W78-W91 AromaticContact CH2-CZ3 3.19Å; W78-W91 HydrophobicContact CH2-CZ3 3.19Å; W78-W91 AromaticContact CZ2-CH2 3.85Å; W78-W91 HydrophobicContact CZ2-CH2 3.85Å; W78-W91 AromaticContact CZ2-CZ3 3.96Å; W78-W91 HydrophobicContact CZ2-CZ3 3.96Å; W78-W91 HydrophobicContact CZ3-CE3 4.37Å; W78-W91 HydrophobicContact CZ3-CZ3 4.1Å; L79-W91 HydrophobicContact CD1-CH2 4.03Å; L79-W91 HydrophobicContact CD1-CZ2 3.86Å; L79-W91 HydrophobicContact CD2-CD2 4.03Å; L79-W91 HydrophobicContact CD2-CG 4.19Å; L79-W91 HydrophobicContact CD2-CZ2 4.35Å; C87-W91 WeakPolarHBondContact O-CA 3.4Å; C87-W91 WeakPolarHBondContact O-CB 3.38Å; C87-W91 PolarHBondContact O-N 3.3Å; W91-G93 PolarHBondContact O-N 3.39Å; W91-L94 WeakPolarHBondContact O-CB 3.33Å; W91-L94 PolarHBondContact O-N 3.26Å; W91-F95 AromaticContact NE1-CE2 3.86Å; W91-F95 WeakPolarHBondContact O-CD2 3.24Å
92D88.5Confident86.9Confident4 Ų434.9 Ų34.92%0.02119%0.192CC..Iπ-helixtrans-68.7-30-177.6-49.6-28.9000110.4C87 T88 L94 F95 L96 R123 I127 R130C87-D92 PolarHBondContact O-N 2.87Å; T88-D92 WeakPolarHBondContact CA-OD2 3.38Å; T88-D92 WeakPolarHBondContact O-CB 3.48Å; D92-L94 PolarHBondContact O-N 3.16Å; D92-F95 PolarHBondContact O-N 2.85Å; D92-L96 HydrophobicContact CB-CD1 4.44Å; D92-L96 WeakPolarHBondContact O-CG 3.2Å; D92-L96 PolarHBondContact O-N 2.82Å; D92-R123 IonicContact OD1-NE 2.66Å; D92-R123 IonicContact OD1-NH2 2.7Å; D92-I127 HydrophobicContact CB-CG1 4.46Å; D92-R130 VanDerWaalsContact CG-NH1 3.29Å; D92-R130 IonicContact OD1-NH2 3.67Å; D92-R130 IonicContact OD2-CZ 2.68Å; D92-R130 IonicContact OD2-NH1 3.11Å; D92-R130 PolarHBondContact OD2-NH1 2.94Å; D92-R130 IonicContact OD2-NH2 2.75Å; D92-R130 PolarHBondContact OD2-NH2 2.94Å
93G87.8Confident87.5Confident6 Ų634.2 Ų34.26%0.06219%0.189CC..Hα-helixtrans-55.8-33170.900000113.9T88 E89 W91 F95 L96 R97T88-G93 PolarHBondContact O-N 3.46Å; E89-G93 WeakPolarHBondContact O-CA 3.26Å; W91-G93 PolarHBondContact O-N 3.39Å; G93-F95 VanDerWaalsContact C-N 3.3Å; G93-F95 PolarHBondContact O-N 3.44Å; G93-L96 PolarHBondContact O-N 3.37Å; G93-R97 VanDerWaalsContact O-CB 3.26Å; G93-R97 WeakPolarHBondContact O-CB 3.24Å; G93-R97 WeakPolarHBondContact O-CG 3.3Å; G93-R97 PolarHBondContact O-N 3.03Å
94L89.9Confident88.1Confident1 Ų131.4 Ų31.41%0.00517%0.172CC..Hα-helixtrans-64.2-35.2175-73.2164.3000111.8L35 L38 T39 L42 Y63 L67 L70 L90 W91 D92L35-L94 HydrophobicContact CD2-CD1 4.16Å; L38-L94 HydrophobicContact CB-CD1 4.33Å; L38-L94 HydrophobicContact CB-CD2 3.93Å; T39-L94 HydrophobicContact CG2-CD1 4.45Å; T39-L94 HydrophobicContact CG2-CD2 3.68Å; T39-L94 HydrophobicContact CG2-CG 3.71Å; L42-L94 HydrophobicContact CD1-CD2 3.76Å; Y63-L94 PolarHBondContact OH-O 3.22Å; L67-L94 HydrophobicContact CD2-CB 4.4Å; L70-L94 HydrophobicContact CD1-CB 4.17Å; L70-L94 HydrophobicContact CD1-CD1 3.6Å; L70-L94 HydrophobicContact CD1-CG 4.49Å; L90-L94 WeakPolarHBondContact O-CG 3.26Å; W91-L94 WeakPolarHBondContact O-CB 3.33Å; W91-L94 PolarHBondContact O-N 3.26Å; D92-L94 PolarHBondContact O-N 3.16Å
95F91.8Very high88.8Confident1 Ų128 Ų280%0.00415%0.149CC..Hα-helixtrans-79.6-39.1176-63.4-91.6000111.9L67 L70 I71 W91 D92 G93 T103 L107 I127L67-F95 HydrophobicContact CB-CE1 4.33Å; L67-F95 HydrophobicContact CD1-CD1 4.19Å; L67-F95 HydrophobicContact CD1-CE1 4.34Å; L67-F95 HydrophobicContact CD2-CD1 3.89Å; L67-F95 HydrophobicContact CD2-CE1 3.79Å; L67-F95 HydrophobicContact CD2-CE2 4.41Å; L67-F95 HydrophobicContact CD2-CG 4.25Å; L67-F95 HydrophobicContact CD2-CZ 4.06Å; L67-F95 HydrophobicContact CG-CE1 4.38Å; L70-F95 HydrophobicContact CB-CZ 4.2Å; L70-F95 HydrophobicContact CD1-CE2 4.03Å; L70-F95 HydrophobicContact CD1-CZ 4.27Å; I71-F95 HydrophobicContact CD1-CE1 4.23Å; I71-F95 HydrophobicContact CG1-CE1 4.15Å; I71-F95 HydrophobicContact CG1-CZ 4.09Å; W91-F95 AromaticContact NE1-CE2 3.86Å; W91-F95 WeakPolarHBondContact O-CD2 3.24Å; D92-F95 PolarHBondContact O-N 2.85Å; G93-F95 VanDerWaalsContact C-N 3.3Å; G93-F95 PolarHBondContact O-N 3.44Å; F95-T103 HydrophobicContact CB-CG2 3.93Å; F95-T103 HydrophobicContact CD1-CG2 4.1Å; F95-T103 VanDerWaalsContact O-CG2 3.24Å; F95-T103 WeakPolarHBondContact O-CG2 3.25Å; F95-T103 PolarHBondContact O-OG1 3.27Å; F95-L107 HydrophobicContact CD1-CD1 4.4Å; F95-L107 HydrophobicContact CD1-CD2 3.59Å; F95-L107 HydrophobicContact CD1-CG 3.97Å; F95-L107 HydrophobicContact CE1-CD2 3.72Å; F95-L107 HydrophobicContact CE1-CG 4.38Å; F95-L107 HydrophobicContact CG-CD2 4.45Å; F95-I127 HydrophobicContact CB-CG2 3.63Å; F95-I127 HydrophobicContact CD1-CG2 4.37Å; F95-I127 HydrophobicContact CD2-CD1 4.23Å; F95-I127 HydrophobicContact CD2-CG2 4.28Å; F95-I127 HydrophobicContact CE2-CD1 4.32Å; F95-I127 HydrophobicContact CG-CG2 3.86Å
96L91.1Very high89.3Confident37 Ų3724.5 Ų24.519%0.19413%0.127CC..Hα-helixtrans-82.5-19.9-173.5-62.9176.2000114.3D92 G93 R130 F131 R136D92-L96 HydrophobicContact CB-CD1 4.44Å; D92-L96 WeakPolarHBondContact O-CG 3.2Å; D92-L96 PolarHBondContact O-N 2.82Å; G93-L96 PolarHBondContact O-N 3.37Å; L96-R130 HydrophobicContact CD1-CB 4.38Å; L96-R130 HydrophobicContact CD2-CB 4.24Å; L96-F131 HydrophobicContact CD2-CB 4.01Å; L96-R136 VanDerWaalsContact O-CD 3.31Å; L96-R136 WeakPolarHBondContact O-CD 3.31Å; L96-R136 PolarHBondContact O-NE 3.07Å; L96-R136 PolarHBondContact O-NH1 3.39Å; L96-R136 VanDerWaalsContact O-NH1 3.15Å; L96-R136 PolarHBondContact O-NH2 2.99Å
97R88.6Confident89.7Confident77 Ų7721.8 Ų21.829%0.29111%0.114SC..Hα-helixtrans-100.4-29.3-178.6-68.2-176.4-94.3169.9-7.3115L42 D43 E89 G93L42-R97 HydrophobicContact CB-CB 4.18Å; L42-R97 HydrophobicContact CD1-CB 4.41Å; D43-R97 IonicContact OD1-CZ 2.65Å; D43-R97 IonicContact OD1-NH1 3.78Å; D43-R97 PolarHBondContact OD1-NH1 2.94Å; D43-R97 IonicContact OD2-NH1 2.68Å; D43-R97 PolarHBondContact OD2-NH1 3.16Å; E89-R97 PolarHBondContact O-NH2 3.49Å; G93-R97 VanDerWaalsContact O-CB 3.26Å; G93-R97 WeakPolarHBondContact O-CB 3.24Å; G93-R97 WeakPolarHBondContact O-CG 3.3Å; G93-R97 PolarHBondContact O-N 3.03Å
98G87.5Confident90.2Very high8 Ų821.5 Ų21.58%0.08211%0.111CC..SBendtrans-79.5-158.4-169.300000117Y63 P100 R136Y63-G98 WeakPolarHBondContact OH-CA 3.44Å; G98-P100 WeakPolarHBondContact O-CD 3.39Å; G98-R136 PolarHBondContact O-NH2 3.4Å
99P90.1Very high90.6Very high20 Ų2022.8 Ų22.813%0.1312%0.116CC..  trans-63.1115.2174.4-2833.1000113.6Y63 D101 Q102 T103Y63-P99 HydrophobicContact CD1-CB 4.24Å; Y63-P99 HydrophobicContact CD1-CG 3.92Å; Y63-P99 HydrophobicContact CE1-CB 4.24Å; Y63-P99 VanDerWaalsContact CE1-CD 3.43Å; Y63-P99 HydrophobicContact CE1-CG 4.18Å; Y63-P99 HydrophobicContact CG-CG 4.38Å; P99-D101 VanDerWaalsContact C-N 3.34Å; P99-D101 WeakPolarHBondContact CB-OD1 3.19Å; P99-D101 PolarHBondContact O-N 3.44Å; P99-Q102 HydrophobicContact CB-CB 4.32Å; P99-Q102 HydrophobicContact CB-CG 4.25Å; P99-Q102 PolarHBondContact O-N 3.47Å; P99-T103 PolarHBondContact O-N 3.18Å; P99-T103 PolarHBondContact O-OG1 2.96Å
100P91.8Very high90.8Very high8 Ų817.7 Ų17.75%0.0529%0.094CC..Hα-helixtrans-70.1-27.5-170.129.7-37.2000113.9G98 L104 F131 V139 L140G98-P100 WeakPolarHBondContact O-CD 3.39Å; P100-L104 VanDerWaalsContact O-CB 3.29Å; P100-L104 WeakPolarHBondContact O-CB 3.3Å; P100-L104 PolarHBondContact O-N 2.79Å; P100-F131 HydrophobicContact CB-CE2 4.05Å; P100-F131 HydrophobicContact CB-CZ 3.85Å; P100-F131 WeakPolarHBondContact O-CZ 3.33Å; P100-V139 HydrophobicContact CG-CB 4.36Å; P100-V139 HydrophobicContact CG-CG1 4.11Å; P100-L140 HydrophobicContact CB-CB 3.99Å; P100-L140 HydrophobicContact CG-CB 3.84Å; P100-L140 HydrophobicContact CG-CG 4.48Å
101D90.5Very high91.1Very high22 Ų2217.9 Ų17.912%0.1189%0.094CC..Hα-helixtrans-64.8-47.917560.7-36.5000111.7P99 L105 L140 R144 L160P99-D101 VanDerWaalsContact C-N 3.34Å; P99-D101 WeakPolarHBondContact CB-OD1 3.19Å; P99-D101 PolarHBondContact O-N 3.44Å; D101-L105 WeakPolarHBondContact O-CG 3.47Å; D101-L105 PolarHBondContact O-N 3.46Å; D101-L140 HydrophobicContact CB-CD1 4.41Å; D101-L140 HydrophobicContact CB-CG 4.45Å; D101-R144 IonicContact OD2-CZ 3.63Å; D101-R144 IonicContact OD2-NH2 3.46Å; D101-R144 PolarHBondContact OD2-NH2 3.1Å; D101-L160 HydrophobicContact CB-CD1 3.94Å; D101-L160 HydrophobicContact CB-CD2 3.89Å; D101-L160 WeakPolarHBondContact O-CD2 3.38Å
102Q92.2Very high91.2Very high33 Ų3319.5 Ų19.515%0.15411%0.106CC..Hα-helixtrans-67.1-43.6176.7-63.2-179.840.600111.1S59 Y63 T64 P99 L104 L105 V106S59-Q102 PolarHBondContact O-NE2 2.88Å; S59-Q102 PolarHBondContact O-OE1 3.06Å; Y63-Q102 HydrophobicContact CD1-CB 3.91Å; Y63-Q102 HydrophobicContact CE1-CB 4.14Å; T64-Q102 PolarHBondContact OG1-OE1 2.83Å; P99-Q102 HydrophobicContact CB-CB 4.32Å; P99-Q102 HydrophobicContact CB-CG 4.25Å; P99-Q102 PolarHBondContact O-N 3.47Å; Q102-L104 PolarHBondContact O-N 3.28Å; Q102-L105 PolarHBondContact O-N 3.19Å; Q102-V106 VanDerWaalsContact O-CG2 3.32Å; Q102-V106 WeakPolarHBondContact O-CG2 3.35Å; Q102-V106 PolarHBondContact O-N 3.43Å
103T94.4Very high91.1Very high0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-57.4-48.6176.6-57.90000111.6Y63 F95 P99 L105 V106 L107 F131Y63-T103 PolarHBondContact OH-OG1 3.1Å; F95-T103 HydrophobicContact CB-CG2 3.93Å; F95-T103 HydrophobicContact CD1-CG2 4.1Å; F95-T103 VanDerWaalsContact O-CG2 3.24Å; F95-T103 WeakPolarHBondContact O-CG2 3.25Å; F95-T103 PolarHBondContact O-OG1 3.27Å; P99-T103 PolarHBondContact O-N 3.18Å; P99-T103 PolarHBondContact O-OG1 2.96Å; T103-L105 PolarHBondContact O-N 3.37Å; T103-V106 PolarHBondContact O-N 3.39Å; T103-L107 HydrophobicContact CG2-CD1 3.71Å; T103-L107 HydrophobicContact CG2-CG 4.14Å; T103-L107 WeakPolarHBondContact O-CB 3.35Å; T103-L107 WeakPolarHBondContact O-CG 3.41Å; T103-L107 PolarHBondContact O-N 3.13Å; T103-F131 HydrophobicContact CG2-CD2 3.86Å; T103-F131 HydrophobicContact CG2-CE2 3.78Å
104L94.6Very high90.9Very high0 Ų024.5 Ų24.50%014%0.136CC..Hα-helixtrans-59.6-47.1-178.7-178.565.6000111.1P100 Q102 M108 L128 F131 L137 L140 L164 L167P100-L104 VanDerWaalsContact O-CB 3.29Å; P100-L104 WeakPolarHBondContact O-CB 3.3Å; P100-L104 PolarHBondContact O-N 2.79Å; Q102-L104 PolarHBondContact O-N 3.28Å; L104-M108 HydrophobicContact CD1-CG 4.21Å; L104-M108 HydrophobicContact CD1-SD 3.82Å; L104-M108 HydrophobicContact CG-SD 3.91Å; L104-M108 WeakPolarHBondContact O-CB 3.34Å; L104-M108 WeakPolarHBondContact O-CG 3.29Å; L104-M108 PolarHBondContact O-N 2.87Å; L104-L128 HydrophobicContact CD1-CD1 4.1Å; L104-F131 HydrophobicContact CB-CE1 4.48Å; L104-F131 HydrophobicContact CB-CZ 4.32Å; L104-F131 HydrophobicContact CD1-CE1 4.24Å; L104-L137 HydrophobicContact CD2-CD2 4.5Å; L104-L140 HydrophobicContact CB-CD1 4.46Å; L104-L140 HydrophobicContact CD2-CD1 3.89Å; L104-L164 HydrophobicContact CD2-CB 4.24Å; L104-L167 HydrophobicContact CD1-CD1 4.01Å
105L93.9Very high89.9Confident44 Ų4430.2 Ų30.223%0.2318%0.176CC..Hα-helixtrans-62.3-45.8179.1-68.9177.6000112.1D101 Q102 T103 M108 D109 L156 L160 R163D101-L105 WeakPolarHBondContact O-CG 3.47Å; D101-L105 PolarHBondContact O-N 3.46Å; Q102-L105 PolarHBondContact O-N 3.19Å; T103-L105 PolarHBondContact O-N 3.37Å; L105-M108 PolarHBondContact O-N 3.23Å; L105-D109 WeakPolarHBondContact O-CB 3.39Å; L105-D109 PolarHBondContact O-N 2.99Å; L105-L156 HydrophobicContact CD1-CD1 3.86Å; L105-L160 HydrophobicContact CD1-CD2 3.58Å; L105-L160 HydrophobicContact CD1-CG 4.02Å; L105-L160 HydrophobicContact CD2-CD2 3.8Å; L105-L160 HydrophobicContact CD2-CG 4.41Å; L105-L160 HydrophobicContact CG-CD2 3.48Å; L105-L160 VanDerWaalsContact CG-CD2 3.48Å; L105-L160 HydrophobicContact CG-CG 4.34Å; L105-R163 HydrophobicContact CD2-CB 4.2Å; L105-R163 HydrophobicContact CD2-CG 3.93Å
106V94.6Very high89Confident9 Ų933.7 Ų33.76%0.05520%0.201CC..Hα-helixtrans-68.5-40.5-178174.60000111.6T64 L67 Q68 I71 Q102 T103 G110T64-V106 HydrophobicContact CG2-CG2 3.85Å; L67-V106 HydrophobicContact CB-CB 4.3Å; L67-V106 HydrophobicContact CB-CG1 3.68Å; L67-V106 HydrophobicContact CB-CG2 4.44Å; L67-V106 HydrophobicContact CD1-CB 4.4Å; Q68-V106 HydrophobicContact CG-CG1 4.13Å; Q68-V106 HydrophobicContact CG-CG2 4.27Å; I71-V106 HydrophobicContact CD1-CG1 3.51Å; I71-V106 WeakPolarHBondContact CD1-O 3.18Å; I71-V106 HydrophobicContact CG1-CG1 4.36Å; Q102-V106 VanDerWaalsContact O-CG2 3.32Å; Q102-V106 WeakPolarHBondContact O-CG2 3.35Å; Q102-V106 PolarHBondContact O-N 3.43Å; T103-V106 PolarHBondContact O-N 3.39Å; V106-G110 PolarHBondContact O-N 3.03Å
107L93.6Very high88.3Confident0 Ų037.3 Ų37.30%023%0.227CC..Hα-helixtrans-62.8-44.6174.4-74.9177000111.6I71 F95 T103 G110 I111 L124 I127 L128I71-L107 HydrophobicContact CD1-CD2 4.49Å; F95-L107 HydrophobicContact CD1-CD1 4.4Å; F95-L107 HydrophobicContact CD1-CD2 3.59Å; F95-L107 HydrophobicContact CD1-CG 3.97Å; F95-L107 HydrophobicContact CE1-CD2 3.72Å; F95-L107 HydrophobicContact CE1-CG 4.38Å; F95-L107 HydrophobicContact CG-CD2 4.45Å; T103-L107 HydrophobicContact CG2-CD1 3.71Å; T103-L107 HydrophobicContact CG2-CG 4.14Å; T103-L107 WeakPolarHBondContact O-CB 3.35Å; T103-L107 WeakPolarHBondContact O-CG 3.41Å; T103-L107 PolarHBondContact O-N 3.13Å; L107-G110 PolarHBondContact O-N 2.92Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.01Å; L107-L124 HydrophobicContact CD2-CD2 4Å; L107-I127 HydrophobicContact CD1-CG2 4.04Å; L107-I127 HydrophobicContact CD2-CB 4.48Å; L107-I127 HydrophobicContact CD2-CG2 4.02Å; L107-L128 HydrophobicContact CB-CD1 4.49Å; L107-L128 HydrophobicContact CD1-CB 4.4Å; L107-L128 HydrophobicContact CD1-CD1 4.11Å
108M92.6Very high88.1Confident6 Ų635.2 Ų35.23%0.0322%0.224CC..Hα-helixtrans-68.5-37.3-179.6-71.8-176.577.700112.7L104 L105 S112 R163 L167 L170L104-M108 HydrophobicContact CD1-CG 4.21Å; L104-M108 HydrophobicContact CD1-SD 3.82Å; L104-M108 HydrophobicContact CG-SD 3.91Å; L104-M108 WeakPolarHBondContact O-CB 3.34Å; L104-M108 WeakPolarHBondContact O-CG 3.29Å; L104-M108 PolarHBondContact O-N 2.87Å; L105-M108 PolarHBondContact O-N 3.23Å; M108-S112 VanDerWaalsContact O-CB 3.32Å; M108-S112 WeakPolarHBondContact O-CB 3.42Å; M108-S112 PolarHBondContact O-N 2.86Å; M108-S112 PolarHBondContact O-OG 3.33Å; M108-R163 HydrophobicContact CE-CB 3.93Å; M108-R163 HydrophobicContact CE-CG 4.46Å; M108-R163 WeakPolarHBondContact CE-O 3.41Å; M108-R163 HydrophobicContact SD-CB 3.69Å; M108-R163 HydrophobicContact SD-CG 4.44Å; M108-L167 HydrophobicContact CE-CB 4.23Å; M108-L167 HydrophobicContact CE-CG 4.36Å; M108-L167 HydrophobicContact SD-CD1 4.49Å; M108-L170 HydrophobicContact CE-CB 4.22Å; M108-L170 HydrophobicContact CE-CD1 3.27Å; M108-L170 HydrophobicContact CE-CG 4.38Å
109D92.3Very high87.9Confident88 Ų8838.6 Ų38.647%0.47125%0.251SS..Hα-helixtrans-66.3-44.1173.7-162.945000110.8L105 I111 S112 S113L105-D109 WeakPolarHBondContact O-CB 3.39Å; L105-D109 PolarHBondContact O-N 2.99Å; D109-I111 PolarHBondContact O-N 2.99Å; D109-S112 PolarHBondContact O-N 2.89Å; D109-S113 WeakPolarHBondContact O-CB 3.26Å; D109-S113 PolarHBondContact O-N 3.45Å; D109-S113 PolarHBondContact O-OG 3.27Å
110G90.4Very high87.6Confident5 Ų537.8 Ų37.85%0.05225%0.246CC..Hα-helixtrans-56.2-50.6173.900000112.8V106 L107 S112 S113 M114V106-G110 PolarHBondContact O-N 3.03Å; L107-G110 PolarHBondContact O-N 2.92Å; G110-S112 VanDerWaalsContact C-N 3.34Å; G110-S112 PolarHBondContact O-N 2.69Å; G110-S113 PolarHBondContact O-N 2.95Å; G110-S113 PolarHBondContact O-OG 3.47Å; G110-M114 PolarHBondContact O-N 3.19Å
111I90.6Very high87.5Confident5 Ų537.9 Ų37.93%0.02625%0.246CC..Hα-helixtrans-62.3-40.6176.8-68.3166000111.2L107 D109 S113 L121 L124 V125 L128 Q174L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.01Å; D109-I111 PolarHBondContact O-N 2.99Å; I111-S113 VanDerWaalsContact C-N 3.31Å; I111-S113 PolarHBondContact O-N 2.81Å; I111-L121 HydrophobicContact CB-CD1 4.41Å; I111-L121 HydrophobicContact CG1-CD1 4.36Å; I111-L121 HydrophobicContact CG2-CD1 4.12Å; I111-L124 HydrophobicContact CD1-CB 4.44Å; I111-L124 HydrophobicContact CG1-CB 3.91Å; I111-L124 HydrophobicContact CG1-CD1 4.38Å; I111-V125 HydrophobicContact CD1-CG2 4.39Å; I111-L128 HydrophobicContact CD1-CB 4.29Å; I111-L128 HydrophobicContact CD1-CD2 3.67Å; I111-Q174 HydrophobicContact CG2-CB 4.21Å; I111-Q174 HydrophobicContact CG2-CG 4.42Å
112S88.4Confident87.4Confident35 Ų3541.5 Ų41.525%0.24527%0.265CS..Hα-helixtrans-70.2-27.2-180-55.90000113.2M108 D109 G110M108-S112 VanDerWaalsContact O-CB 3.32Å; M108-S112 WeakPolarHBondContact O-CB 3.42Å; M108-S112 PolarHBondContact O-N 2.86Å; M108-S112 PolarHBondContact O-OG 3.33Å; D109-S112 PolarHBondContact O-N 2.89Å; G110-S112 VanDerWaalsContact C-N 3.34Å; G110-S112 PolarHBondContact O-N 2.69Å
113S87.2Confident87.2Confident78 Ų7842.7 Ų42.755%0.54527%0.269SS..Hα-helixtrans-81.2-18.8-178.171.70000114D109 G110 I111 S115D109-S113 WeakPolarHBondContact O-CB 3.26Å; D109-S113 PolarHBondContact O-N 3.45Å; D109-S113 PolarHBondContact O-OG 3.27Å; G110-S113 PolarHBondContact O-N 2.95Å; G110-S113 PolarHBondContact O-OG 3.47Å; I111-S113 VanDerWaalsContact C-N 3.31Å; I111-S113 PolarHBondContact O-N 2.81Å; S113-S115 PolarHBondContact O-N 2.95Å
114M83.6Confident87Confident37 Ų3742.8 Ų42.818%0.18227%0.269CS..  trans-92.199.8-176.1-73.2-171.2163.700111I74 G110 S116 L121 L124I74-M114 HydrophobicContact CG2-CE 3.69Å; G110-M114 PolarHBondContact O-N 3.19Å; M114-S116 VanDerWaalsContact C-N 3.33Å; M114-S116 PolarHBondContact O-N 2.92Å; M114-L121 HydrophobicContact CB-CD1 4.16Å; M114-L121 HydrophobicContact SD-CB 4.12Å; M114-L124 HydrophobicContact CE-CD1 4.39Å; M114-L124 HydrophobicContact SD-CD1 3.97Å
115S68.5Low86.9Confident121 Ų12143 Ų4385%0.84627%0.27SS*.  trans-79-8.4-173.4-38.70000115.2S113S113-S115 PolarHBondContact O-N 2.95Å
116S72.4Confident86.8Confident75 Ų7542.7 Ų42.752%0.52427%0.272SS..SBendtrans-130.8141.9-176.7610000112.1M114 S118M114-S116 VanDerWaalsContact C-N 3.33Å; M114-S116 PolarHBondContact O-N 2.92Å; S116-S118 PolarHBondContact O-N 3.33Å
117P77.1Confident86.7Confident113 Ų11342.3 Ų42.373%0.73427%0.27SS*.  trans-57.4123.7174.324-32.3000109.9
118S84Confident86.8Confident32 Ų3242.3 Ų42.322%0.22427%0.27CS..  trans-147154.7-176.665.60000110.2S116 G120 L121 D122S116-S118 PolarHBondContact O-N 3.33Å; S118-G120 PolarHBondContact O-N 3.43Å; S118-G120 VanDerWaalsContact O-N 3.15Å; S118-L121 WeakPolarHBondContact O-CA 3.49Å; S118-L121 WeakPolarHBondContact O-CB 3.37Å; S118-L121 PolarHBondContact O-N 2.92Å; S118-L121 PolarHBondContact OG-N 2.95Å; S118-L121 VanDerWaalsContact OG-N 3.15Å; S118-D122 PolarHBondContact O-N 3.45Å
119A82.9Confident86.9Confident80 Ų8043.8 Ų43.866%0.66128%0.276SS*.Hα-helixtrans-57.9-29.2175.200000112.4R123A119-R123 WeakPolarHBondContact O-CB 3.44Å; A119-R123 PolarHBondContact O-N 3.41Å; A119-R123 VanDerWaalsContact O-N 3.09Å
120G85Confident86.9Confident2 Ų242.4 Ų42.42%0.02127%0.265CS..Hα-helixtrans-65.2-46.2171.600000112.6I74 S118 R123 L124I74-G120 VanDerWaalsContact CD1-O 3.27Å; I74-G120 WeakPolarHBondContact CD1-O 3.28Å; S118-G120 PolarHBondContact O-N 3.43Å; S118-G120 VanDerWaalsContact O-N 3.15Å; G120-R123 PolarHBondContact O-N 2.93Å; G120-L124 WeakPolarHBondContact O-CG 3.41Å; G120-L124 PolarHBondContact O-N 3.15Å
121L88.1Confident87.2Confident10 Ų1042.1 Ų42.15%0.05226%0.262CS..Hα-helixtrans-59.9-48.1175.3-178.763.5000111I111 M114 S118 R123 L124 V125 L175I111-L121 HydrophobicContact CB-CD1 4.41Å; I111-L121 HydrophobicContact CG1-CD1 4.36Å; I111-L121 HydrophobicContact CG2-CD1 4.12Å; M114-L121 HydrophobicContact CB-CD1 4.16Å; M114-L121 HydrophobicContact SD-CB 4.12Å; S118-L121 WeakPolarHBondContact O-CA 3.49Å; S118-L121 WeakPolarHBondContact O-CB 3.37Å; S118-L121 PolarHBondContact O-N 2.92Å; S118-L121 PolarHBondContact OG-N 2.95Å; S118-L121 VanDerWaalsContact OG-N 3.15Å; L121-R123 PolarHBondContact O-N 3.16Å; L121-L124 PolarHBondContact O-N 3.41Å; L121-L124 VanDerWaalsContact O-N 3.11Å; L121-V125 HydrophobicContact CD1-CG2 4.24Å; L121-V125 HydrophobicContact CG-CG2 4.36Å; L121-V125 WeakPolarHBondContact O-CB 3.48Å; L121-V125 WeakPolarHBondContact O-CG2 3.38Å; L121-V125 PolarHBondContact O-N 2.95Å; L121-L175 HydrophobicContact CD1-CD2 4.34Å; L121-L175 HydrophobicContact CD2-CD2 4.04Å; L121-L175 HydrophobicContact CG-CD2 4.19Å
122D88Confident87.3Confident98 Ų9842 Ų4252%0.52426%0.262SS..Hα-helixtrans-58.3-38.1178.2-69.1-29.2000112.2S118 S126S118-D122 PolarHBondContact O-N 3.45Å; D122-S126 WeakPolarHBondContact O-CB 3.35Å; D122-S126 PolarHBondContact O-N 3.23Å
123R88.6Confident87.6Confident59 Ų5945.9 Ų45.922%0.22328%0.276CS..Hα-helixtrans-67-45.1175.5-171.3171.1-176.3164.3-1.2112I74 C87 D92 A119 G120 L121 V125 S126 I127I74-R123 HydrophobicContact CD1-CB 4.42Å; C87-R123 PolarHBondContact SG-NH2 3.3Å; D92-R123 IonicContact OD1-NE 2.66Å; D92-R123 IonicContact OD1-NH2 2.7Å; A119-R123 WeakPolarHBondContact O-CB 3.44Å; A119-R123 PolarHBondContact O-N 3.41Å; A119-R123 VanDerWaalsContact O-N 3.09Å; G120-R123 PolarHBondContact O-N 2.93Å; L121-R123 PolarHBondContact O-N 3.16Å; R123-V125 VanDerWaalsContact C-N 3.32Å; R123-V125 PolarHBondContact O-N 3.32Å; R123-S126 WeakPolarHBondContact O-CB 3.32Å; R123-S126 PolarHBondContact O-N 2.9Å; R123-I127 HydrophobicContact CG-CD1 4.15Å; R123-I127 VanDerWaalsContact O-CG1 3.3Å; R123-I127 WeakPolarHBondContact O-CG1 3.45Å; R123-I127 PolarHBondContact O-N 2.83Å
124L91.5Very high87.8Confident1 Ų145.2 Ų45.21%0.00527%0.271CS..Hα-helixtrans-60.8-42.7175.4-68.6179.4000111.8I71 I74 L107 I111 M114 G120 L121 S126 I127 L128I71-L124 HydrophobicContact CD1-CD2 3.97Å; I71-L124 HydrophobicContact CG1-CD2 3.94Å; I71-L124 HydrophobicContact CG2-CD1 4.12Å; I74-L124 HydrophobicContact CD1-CD1 4.29Å; I74-L124 HydrophobicContact CD1-CD2 3.64Å; I74-L124 HydrophobicContact CD1-CG 3.58Å; L107-L124 HydrophobicContact CD2-CD2 4Å; I111-L124 HydrophobicContact CD1-CB 4.44Å; I111-L124 HydrophobicContact CG1-CB 3.91Å; I111-L124 HydrophobicContact CG1-CD1 4.38Å; M114-L124 HydrophobicContact CE-CD1 4.39Å; M114-L124 HydrophobicContact SD-CD1 3.97Å; G120-L124 WeakPolarHBondContact O-CG 3.41Å; G120-L124 PolarHBondContact O-N 3.15Å; L121-L124 PolarHBondContact O-N 3.41Å; L121-L124 VanDerWaalsContact O-N 3.11Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-S126 PolarHBondContact O-N 3.49Å; L124-I127 PolarHBondContact O-N 3Å; L124-L128 WeakPolarHBondContact O-CB 3.43Å; L124-L128 PolarHBondContact O-N 3.46Å
125V92.1Very high88.2Confident5 Ų544.5 Ų44.53%0.0327%0.273CS..Hα-helixtrans-63.4-40.5176.7175.80000110.8I111 L121 R123 L128 E129 L175 K180 F183I111-V125 HydrophobicContact CD1-CG2 4.39Å; L121-V125 HydrophobicContact CD1-CG2 4.24Å; L121-V125 HydrophobicContact CG-CG2 4.36Å; L121-V125 WeakPolarHBondContact O-CB 3.48Å; L121-V125 WeakPolarHBondContact O-CG2 3.38Å; L121-V125 PolarHBondContact O-N 2.95Å; R123-V125 VanDerWaalsContact C-N 3.32Å; R123-V125 PolarHBondContact O-N 3.32Å; V125-L128 PolarHBondContact O-N 3.38Å; V125-E129 WeakPolarHBondContact O-CB 3.42Å; V125-E129 PolarHBondContact O-N 3.42Å; V125-L175 HydrophobicContact CG1-CD1 3.84Å; V125-L175 HydrophobicContact CG2-CD1 3.78Å; V125-L175 HydrophobicContact CG2-CD2 3.67Å; V125-L175 HydrophobicContact CG2-CG 4.35Å; V125-K180 HydrophobicContact CG1-CD 3.96Å; V125-K180 HydrophobicContact CG1-CG 4.18Å; V125-F183 HydrophobicContact CG1-CE2 3.59Å; V125-F183 HydrophobicContact CG1-CZ 4.28Å
126S91.4Very high89.4Confident38 Ų3840 Ų4027%0.26624%0.238SC..Hα-helixtrans-65.4-37.1172.9177.40000113.5D122 R123 L124 R130D122-S126 WeakPolarHBondContact O-CB 3.35Å; D122-S126 PolarHBondContact O-N 3.23Å; R123-S126 WeakPolarHBondContact O-CB 3.32Å; R123-S126 PolarHBondContact O-N 2.9Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-S126 PolarHBondContact O-N 3.49Å; S126-R130 PolarHBondContact O-N 3.47Å; S126-R130 VanDerWaalsContact O-N 3.07Å; S126-R130 PolarHBondContact O-NE 3.07Å
127I93.3Very high90.4Very high0 Ų036.4 Ų36.40%021%0.213CC..Hα-helixtrans-68-44.4174.9-67.3164.3000110D92 F95 L107 R123 L124 E129 R130 F131D92-I127 HydrophobicContact CB-CG1 4.46Å; F95-I127 HydrophobicContact CB-CG2 3.63Å; F95-I127 HydrophobicContact CD1-CG2 4.37Å; F95-I127 HydrophobicContact CD2-CD1 4.23Å; F95-I127 HydrophobicContact CD2-CG2 4.28Å; F95-I127 HydrophobicContact CE2-CD1 4.32Å; F95-I127 HydrophobicContact CG-CG2 3.86Å; L107-I127 HydrophobicContact CD1-CG2 4.04Å; L107-I127 HydrophobicContact CD2-CB 4.48Å; L107-I127 HydrophobicContact CD2-CG2 4.02Å; R123-I127 HydrophobicContact CG-CD1 4.15Å; R123-I127 VanDerWaalsContact O-CG1 3.3Å; R123-I127 WeakPolarHBondContact O-CG1 3.45Å; R123-I127 PolarHBondContact O-N 2.83Å; L124-I127 PolarHBondContact O-N 3Å; I127-E129 VanDerWaalsContact C-N 3.32Å; I127-E129 PolarHBondContact O-N 2.79Å; I127-R130 PolarHBondContact O-N 3.3Å; I127-F131 WeakPolarHBondContact O-CB 3.3Å; I127-F131 PolarHBondContact O-N 2.67Å
128L94.6Very high91.3Very high1 Ų131.4 Ų31.41%0.00518%0.18CC..Hα-helixtrans-62.4-40.1177-176.163.2000111.5L104 L107 I111 L124 V125 F131 L132 L167 T171 F183L104-L128 HydrophobicContact CD1-CD1 4.1Å; L107-L128 HydrophobicContact CB-CD1 4.49Å; L107-L128 HydrophobicContact CD1-CB 4.4Å; L107-L128 HydrophobicContact CD1-CD1 4.11Å; I111-L128 HydrophobicContact CD1-CB 4.29Å; I111-L128 HydrophobicContact CD1-CD2 3.67Å; L124-L128 WeakPolarHBondContact O-CB 3.43Å; L124-L128 PolarHBondContact O-N 3.46Å; V125-L128 PolarHBondContact O-N 3.38Å; L128-F131 HydrophobicContact CD1-CD1 4.45Å; L128-F131 WeakPolarHBondContact O-CB 3.37Å; L128-F131 PolarHBondContact O-N 2.97Å; L128-L132 WeakPolarHBondContact O-CG 3.42Å; L128-L132 PolarHBondContact O-N 3.44Å; L128-L167 HydrophobicContact CD1-CD1 4.43Å; L128-T171 HydrophobicContact CD2-CG2 4.18Å; L128-F183 HydrophobicContact CB-CE1 4.49Å; L128-F183 HydrophobicContact CB-CZ 4.23Å; L128-F183 HydrophobicContact CD2-CE1 3.94Å; L128-F183 HydrophobicContact CD2-CZ 4.14Å; L128-F183 HydrophobicContact CG-CE1 3.9Å; L128-F183 HydrophobicContact CG-CZ 4.12Å
129E94.4Very high91.7Very high36 Ų3632.1 Ų32.117%0.16818%0.183CC..Hα-helixtrans-60.1-49.1174.6-174.4-178.2-159.700111.6V125 I127 F131 L132 Q133 K180 L182 F183V125-E129 WeakPolarHBondContact O-CB 3.42Å; V125-E129 PolarHBondContact O-N 3.42Å; I127-E129 VanDerWaalsContact C-N 3.32Å; I127-E129 PolarHBondContact O-N 2.79Å; E129-F131 VanDerWaalsContact C-N 3.28Å; E129-F131 PolarHBondContact O-N 3.28Å; E129-L132 PolarHBondContact O-N 3.45Å; E129-Q133 WeakPolarHBondContact O-CG 3.43Å; E129-Q133 PolarHBondContact O-N 3.45Å; E129-K180 HydrophobicContact CB-CD 4.43Å; E129-K180 HydrophobicContact CG-CD 4.39Å; E129-K180 WeakPolarHBondContact OE2-CD 3.44Å; E129-K180 WeakPolarHBondContact OE2-CE 3.32Å; E129-K180 IonicContact OE2-NZ 3.43Å; E129-K180 PolarHBondContact OE2-NZ 3.27Å; E129-L182 HydrophobicContact CG-CD1 3.58Å; E129-F183 HydrophobicContact CB-CZ 3.97Å
130R93.7Very high92.2Very high59 Ų5928.4 Ų28.422%0.22315%0.152CC..Hα-helixtrans-64.6-32.7175.5-78.1-178-69.4151.8-7.5112.8D92 L96 S126 I127 L132 Q133 S134D92-R130 VanDerWaalsContact CG-NH1 3.29Å; D92-R130 IonicContact OD1-NH2 3.67Å; D92-R130 IonicContact OD2-CZ 2.68Å; D92-R130 IonicContact OD2-NH1 3.11Å; D92-R130 PolarHBondContact OD2-NH1 2.94Å; D92-R130 IonicContact OD2-NH2 2.75Å; D92-R130 PolarHBondContact OD2-NH2 2.94Å; L96-R130 HydrophobicContact CD1-CB 4.38Å; L96-R130 HydrophobicContact CD2-CB 4.24Å; S126-R130 PolarHBondContact O-N 3.47Å; S126-R130 VanDerWaalsContact O-N 3.07Å; S126-R130 PolarHBondContact O-NE 3.07Å; I127-R130 PolarHBondContact O-N 3.3Å; R130-L132 VanDerWaalsContact C-N 3.33Å; R130-Q133 PolarHBondContact O-N 3.2Å; R130-S134 VanDerWaalsContact O-CB 3.29Å; R130-S134 WeakPolarHBondContact O-CB 3.4Å; R130-S134 PolarHBondContact O-N 3.23Å; R130-S134 PolarHBondContact O-OG 3.43Å
131F94.9Very high92.6Very high0 Ų028.3 Ų28.30%015%0.151CC..Hα-helixtrans-61.1-43.5174177.6-85.4000110.8L96 P100 T103 L104 I127 L128 E129 S134 R136 L137L96-F131 HydrophobicContact CD2-CB 4.01Å; P100-F131 HydrophobicContact CB-CE2 4.05Å; P100-F131 HydrophobicContact CB-CZ 3.85Å; P100-F131 WeakPolarHBondContact O-CZ 3.33Å; T103-F131 HydrophobicContact CG2-CD2 3.86Å; T103-F131 HydrophobicContact CG2-CE2 3.78Å; L104-F131 HydrophobicContact CB-CE1 4.48Å; L104-F131 HydrophobicContact CB-CZ 4.32Å; L104-F131 HydrophobicContact CD1-CE1 4.24Å; I127-F131 WeakPolarHBondContact O-CB 3.3Å; I127-F131 PolarHBondContact O-N 2.67Å; L128-F131 HydrophobicContact CD1-CD1 4.45Å; L128-F131 WeakPolarHBondContact O-CB 3.37Å; L128-F131 PolarHBondContact O-N 2.97Å; E129-F131 VanDerWaalsContact C-N 3.28Å; E129-F131 PolarHBondContact O-N 3.28Å; F131-S134 PolarHBondContact O-OG 3.01Å; F131-R136 HydrophobicContact CD1-CB 3.91Å; F131-R136 HydrophobicContact CD2-CB 3.64Å; F131-R136 HydrophobicContact CD2-CG 3.79Å; F131-R136 HydrophobicContact CE1-CB 3.72Å; F131-R136 HydrophobicContact CE2-CB 3.46Å; F131-R136 VanDerWaalsContact CE2-CB 3.46Å; F131-R136 HydrophobicContact CE2-CG 4Å; F131-R136 HydrophobicContact CG-CB 3.87Å; F131-R136 HydrophobicContact CG-CG 4.13Å; F131-R136 HydrophobicContact CZ-CB 3.5Å; F131-R136 VanDerWaalsContact CZ-CB 3.5Å; F131-R136 VanDerWaalsContact O-CB 3.23Å; F131-R136 WeakPolarHBondContact O-CB 3.49Å; F131-R136 WeakPolarHBondContact O-CG 3.21Å; F131-R136 PolarHBondContact O-N 2.93Å; F131-L137 HydrophobicContact CE1-CD2 4.1Å
132L94.6Very high92.9Very high3 Ų329.3 Ų29.32%0.01615%0.154CC..Hα-helixtrans-66.5-46.4174.3-62.6-177.7000111.9L128 E129 R130 S134 G135 L137 L167 F183 Y188 L191L128-L132 WeakPolarHBondContact O-CG 3.42Å; L128-L132 PolarHBondContact O-N 3.44Å; E129-L132 PolarHBondContact O-N 3.45Å; R130-L132 VanDerWaalsContact C-N 3.33Å; L132-S134 VanDerWaalsContact C-N 3.28Å; L132-S134 PolarHBondContact O-N 3.2Å; L132-G135 PolarHBondContact O-N 3.47Å; L132-L137 HydrophobicContact CD2-CD1 3.52Å; L132-L137 HydrophobicContact CD2-CD2 4.28Å; L132-L137 HydrophobicContact CD2-CG 3.78Å; L132-L167 HydrophobicContact CD2-CD1 4.44Å; L132-F183 HydrophobicContact CD1-CD1 3.79Å; L132-F183 HydrophobicContact CD1-CE1 3.59Å; L132-Y188 HydrophobicContact CD1-CD2 4Å; L132-Y188 HydrophobicContact CD1-CE2 4.02Å; L132-Y188 HydrophobicContact CD2-CE2 3.95Å; L132-L191 HydrophobicContact CB-CD1 4.38Å
133Q93.5Very high92.9Very high116 Ų11627.2 Ų27.254%0.54215%0.145SC..Hα-helixtrans-65-28.4-179.1-69.8172.7-8.500113.7E129 R130 G135 L182E129-Q133 WeakPolarHBondContact O-CG 3.43Å; E129-Q133 PolarHBondContact O-N 3.45Å; R130-Q133 PolarHBondContact O-N 3.2Å; Q133-G135 PolarHBondContact O-N 2.93Å; Q133-L182 HydrophobicContact CG-CD1 3.65Å
134S91.3Very high92.9Very high63 Ų6326.1 Ų26.144%0.44114%0.141SC..THydrogen-bonded Turntrans-84.412.7179.652.60000114.1R130 F131 L132 R136R130-S134 VanDerWaalsContact O-CB 3.29Å; R130-S134 WeakPolarHBondContact O-CB 3.4Å; R130-S134 PolarHBondContact O-N 3.23Å; R130-S134 PolarHBondContact O-OG 3.43Å; F131-S134 PolarHBondContact O-OG 3.01Å; L132-S134 VanDerWaalsContact C-N 3.28Å; L132-S134 PolarHBondContact O-N 3.2Å; S134-R136 PolarHBondContact O-N 3.4Å; S134-R136 WeakPolarHBondContact OG-CG 3.26Å
135G91.6Very high92.7Very high23 Ų2326 Ų2624%0.23714%0.14CC..THydrogen-bonded Turntrans67.224.3175.700000113.5L132 Q133 L137 T138 V139L132-G135 PolarHBondContact O-N 3.47Å; Q133-G135 PolarHBondContact O-N 2.93Å; G135-L137 VanDerWaalsContact C-N 3.26Å; G135-L137 PolarHBondContact O-N 2.92Å; G135-T138 VanDerWaalsContact O-CB 3.32Å; G135-T138 WeakPolarHBondContact O-CB 3.43Å; G135-T138 PolarHBondContact O-N 2.76Å; G135-T138 VanDerWaalsContact O-N 3.12Å; G135-V139 PolarHBondContact O-N 2.91Å
136R93.9Very high92.2Very high26 Ų2629.9 Ų29.910%0.09816%0.158CC..Hα-helixtrans-70.1-25.3-175.7-60.6-70.8-63.5170.1-3.3112.6L96 G98 F131 S134 V139 L140L96-R136 VanDerWaalsContact O-CD 3.31Å; L96-R136 WeakPolarHBondContact O-CD 3.31Å; L96-R136 PolarHBondContact O-NE 3.07Å; L96-R136 PolarHBondContact O-NH1 3.39Å; L96-R136 VanDerWaalsContact O-NH1 3.15Å; L96-R136 PolarHBondContact O-NH2 2.99Å; G98-R136 PolarHBondContact O-NH2 3.4Å; F131-R136 HydrophobicContact CD1-CB 3.91Å; F131-R136 HydrophobicContact CD2-CB 3.64Å; F131-R136 HydrophobicContact CD2-CG 3.79Å; F131-R136 HydrophobicContact CE1-CB 3.72Å; F131-R136 HydrophobicContact CE2-CB 3.46Å; F131-R136 VanDerWaalsContact CE2-CB 3.46Å; F131-R136 HydrophobicContact CE2-CG 4Å; F131-R136 HydrophobicContact CG-CB 3.87Å; F131-R136 HydrophobicContact CG-CG 4.13Å; F131-R136 HydrophobicContact CZ-CB 3.5Å; F131-R136 VanDerWaalsContact CZ-CB 3.5Å; F131-R136 VanDerWaalsContact O-CB 3.23Å; F131-R136 WeakPolarHBondContact O-CB 3.49Å; F131-R136 WeakPolarHBondContact O-CG 3.21Å; F131-R136 PolarHBondContact O-N 2.93Å; S134-R136 PolarHBondContact O-N 3.4Å; S134-R136 WeakPolarHBondContact OG-CG 3.26Å; R136-V139 PolarHBondContact O-N 3.45Å; R136-L140 PolarHBondContact O-N 3.29Å
137L94.4Very high90.8Very high0 Ų031.5 Ų31.50%018%0.181CC..Hα-helixtrans-64.8-40.4169.7-69.4-174.8000111.8L104 F131 L132 G135 V139 L140 L141 L164 Y188 L191 L192 D195L104-L137 HydrophobicContact CD2-CD2 4.5Å; F131-L137 HydrophobicContact CE1-CD2 4.1Å; L132-L137 HydrophobicContact CD2-CD1 3.52Å; L132-L137 HydrophobicContact CD2-CD2 4.28Å; L132-L137 HydrophobicContact CD2-CG 3.78Å; G135-L137 VanDerWaalsContact C-N 3.26Å; G135-L137 PolarHBondContact O-N 2.92Å; L137-V139 VanDerWaalsContact C-N 3.29Å; L137-V139 PolarHBondContact O-N 2.77Å; L137-L140 WeakPolarHBondContact O-CB 3.49Å; L137-L140 PolarHBondContact O-N 2.92Å; L137-L141 WeakPolarHBondContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 3.41Å; L137-L164 HydrophobicContact CD2-CD1 4.06Å; L137-Y188 HydrophobicContact CD1-CE2 4.14Å; L137-L191 HydrophobicContact CD1-CD2 3.91Å; L137-L192 HydrophobicContact CD1-CD1 4.37Å; L137-D195 HydrophobicContact CB-CB 4.39Å; L137-D195 VanDerWaalsContact CB-OD2 3.24Å; L137-D195 WeakPolarHBondContact CB-OD2 3.46Å
138T95.4Very high88.6Confident8 Ų837.4 Ų37.45%0.04922%0.217CC..Hα-helixtrans-56.5-44.4171-75.60000111.2G135 L141 W142 D195 T198 V199G135-T138 VanDerWaalsContact O-CB 3.32Å; G135-T138 WeakPolarHBondContact O-CB 3.43Å; G135-T138 PolarHBondContact O-N 2.76Å; G135-T138 VanDerWaalsContact O-N 3.12Å; T138-L141 PolarHBondContact O-N 2.91Å; T138-W142 WeakPolarHBondContact O-CB 3.5Å; T138-W142 PolarHBondContact O-N 2.79Å; T138-D195 VanDerWaalsContact OG1-CA 3.29Å; T138-D195 WeakPolarHBondContact OG1-CA 3.48Å; T138-D195 WeakPolarHBondContact OG1-CB 3.39Å; T138-D195 VanDerWaalsContact OG1-CG 3.3Å; T138-D195 PolarHBondContact OG1-OD1 3.45Å; T138-T198 HydrophobicContact CG2-CG2 3.77Å; T138-V199 HydrophobicContact CG2-CG2 4.14Å
139V93.3Very high86.5Confident47 Ų4739.1 Ų39.129%0.28524%0.235SC..Hα-helixtrans-63.9-43.4177.2-175.30000111.2P100 G135 R136 L137 W142 T143P100-V139 HydrophobicContact CG-CB 4.36Å; P100-V139 HydrophobicContact CG-CG1 4.11Å; G135-V139 PolarHBondContact O-N 2.91Å; R136-V139 PolarHBondContact O-N 3.45Å; L137-V139 VanDerWaalsContact C-N 3.29Å; L137-V139 PolarHBondContact O-N 2.77Å; V139-W142 PolarHBondContact O-N 2.8Å; V139-T143 HydrophobicContact CG1-CG2 4.24Å; V139-T143 WeakPolarHBondContact O-CB 3.43Å; V139-T143 VanDerWaalsContact O-CG2 3.26Å; V139-T143 WeakPolarHBondContact O-CG2 3.44Å; V139-T143 PolarHBondContact O-N 3.36Å; V139-T143 PolarHBondContact O-OG1 3.2Å
140L92.9Very high84.4Confident1 Ų141.9 Ų41.91%0.00526%0.256CS..Hα-helixtrans-59.1-50.9176.5-173.2160.4000111.5P100 D101 L104 R136 L137 W142 T143 R144 L164 F217P100-L140 HydrophobicContact CB-CB 3.99Å; P100-L140 HydrophobicContact CG-CB 3.84Å; P100-L140 HydrophobicContact CG-CG 4.48Å; D101-L140 HydrophobicContact CB-CD1 4.41Å; D101-L140 HydrophobicContact CB-CG 4.45Å; L104-L140 HydrophobicContact CB-CD1 4.46Å; L104-L140 HydrophobicContact CD2-CD1 3.89Å; R136-L140 PolarHBondContact O-N 3.29Å; L137-L140 WeakPolarHBondContact O-CB 3.49Å; L137-L140 PolarHBondContact O-N 2.92Å; L140-W142 PolarHBondContact O-N 3.39Å; L140-T143 PolarHBondContact O-OG1 3.09Å; L140-R144 WeakPolarHBondContact O-CG 3.18Å; L140-L164 HydrophobicContact CD2-CD1 4.06Å; L140-F217 HydrophobicContact CD2-CE1 3.62Å; L140-F217 HydrophobicContact CD2-CZ 4.18Å
141L93.8Very high82.6Confident0 Ų045 Ų450%029%0.287CS..Hα-helixtrans-63.1-43.1179.4-69.9174.5000111.2L137 T138 R144 C145 L192 D195 M196 V199 F217 A221L137-L141 WeakPolarHBondContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 3.41Å; T138-L141 PolarHBondContact O-N 2.91Å; L141-R144 PolarHBondContact O-N 3.04Å; L141-C145 PolarHBondContact O-N 3.08Å; L141-C145 PolarHBondContact O-SG 3.45Å; L141-C145 VanDerWaalsContact O-SG 3.36Å; L141-L192 HydrophobicContact CD1-CD1 4.33Å; L141-D195 HydrophobicContact CD1-CB 4.24Å; L141-M196 HydrophobicContact CD1-CG 4Å; L141-V199 HydrophobicContact CB-CB 4.44Å; L141-V199 HydrophobicContact CB-CG1 4.32Å; L141-V199 HydrophobicContact CB-CG2 3.52Å; L141-V199 HydrophobicContact CD1-CG2 4.2Å; L141-F217 HydrophobicContact CD2-CD1 3.9Å; L141-F217 HydrophobicContact CD2-CE1 3.87Å; L141-A221 HydrophobicContact CD2-CB 4.48Å
142W93.2Very high81.2Confident32 Ų3246.5 Ų46.512%0.12130%0.295CS..Hα-helixtrans-66.9-43.5-178.5178.5-114.8000113.6T138 V139 L140 R144 C145 Q146 V199 R202 A206T138-W142 WeakPolarHBondContact O-CB 3.5Å; T138-W142 PolarHBondContact O-N 2.79Å; V139-W142 PolarHBondContact O-N 2.8Å; L140-W142 PolarHBondContact O-N 3.39Å; W142-R144 PolarHBondContact O-N 2.94Å; W142-C145 HydrophobicContact CE3-CB 4.1Å; W142-C145 HydrophobicContact CZ3-CB 4.3Å; W142-C145 WeakPolarHBondContact O-CA 3.39Å; W142-C145 WeakPolarHBondContact O-CB 3.27Å; W142-C145 PolarHBondContact O-N 3.32Å; W142-Q146 HydrophobicContact CD2-CG 4.26Å; W142-Q146 HydrophobicContact CH2-CG 4.41Å; W142-Q146 HydrophobicContact CZ2-CG 3.85Å; W142-Q146 VanDerWaalsContact NE1-CD 3.26Å; W142-Q146 PolarHBondContact O-N 3.15Å; W142-V199 HydrophobicContact CB-CG2 4.37Å; W142-V199 HydrophobicContact CE3-CG1 4.25Å; W142-R202 HydrophobicContact CD2-CB 4.06Å; W142-R202 HydrophobicContact CE3-CB 3.66Å; W142-R202 HydrophobicContact CH2-CB 3.75Å; W142-R202 WeakPolarHBondContact CH2-O 3.39Å; W142-R202 HydrophobicContact CZ2-CB 4.12Å; W142-R202 HydrophobicContact CZ3-CB 3.51Å; W142-A206 HydrophobicContact CH2-CB 3.81Å
143T89.3Confident80.5Confident53 Ų5348.8 Ų48.833%0.32531%0.311SS..Hα-helixtrans-58.9-33.2178.449.10000112.1V139 L140 C145V139-T143 HydrophobicContact CG1-CG2 4.24Å; V139-T143 WeakPolarHBondContact O-CB 3.43Å; V139-T143 VanDerWaalsContact O-CG2 3.26Å; V139-T143 WeakPolarHBondContact O-CG2 3.44Å; V139-T143 PolarHBondContact O-N 3.36Å; V139-T143 PolarHBondContact O-OG1 3.2Å; L140-T143 PolarHBondContact O-OG1 3.09Å; T143-C145 VanDerWaalsContact C-N 3.32Å
144R87.4Confident80Confident36 Ų3648.2 Ų48.214%0.13632%0.317CS..Hα-helixtrans-75.2-17.4174.5-60.4-61-172.3-155.2-4.4113.7D101 L140 L141 W142 D152 L160 F217D101-R144 IonicContact OD2-CZ 3.63Å; D101-R144 IonicContact OD2-NH2 3.46Å; D101-R144 PolarHBondContact OD2-NH2 3.1Å; L140-R144 WeakPolarHBondContact O-CG 3.18Å; L141-R144 PolarHBondContact O-N 3.04Å; W142-R144 PolarHBondContact O-N 2.94Å; R144-D152 IonicContact CZ-OD1 3.75Å; R144-D152 IonicContact CZ-OD2 3.49Å; R144-D152 IonicContact NE-OD2 3.8Å; R144-D152 PolarHBondContact NE-OD2 3.24Å; R144-D152 IonicContact NH1-OD1 3.26Å; R144-D152 PolarHBondContact NH1-OD1 2.9Å; R144-D152 IonicContact NH1-OD2 2.67Å; R144-D152 PolarHBondContact NH1-OD2 2.68Å; R144-D152 IonicContact NH2-OD1 3.13Å; R144-D152 IonicContact NH2-OD2 2.72Å; R144-L160 VanDerWaalsContact NH2-CD1 3.27Å; R144-F217 HydrophobicContact CB-CB 3.95Å; R144-F217 HydrophobicContact CB-CD1 3.93Å; R144-F217 HydrophobicContact CB-CG 4Å; R144-F217 HydrophobicContact CG-CD1 3.93Å; R144-F217 HydrophobicContact CG-CE1 4.25Å; R144-F217 HydrophobicContact CG-CG 4.18Å
145C87.3Confident79.7Confident0 Ų052.1 Ų52.10%033%0.329CS..Hα-helixtrans-80.2-27.7174.5-65.30000113.1L141 W142 T143 G147 C213 S214L141-C145 PolarHBondContact O-N 3.08Å; L141-C145 PolarHBondContact O-SG 3.45Å; L141-C145 VanDerWaalsContact O-SG 3.36Å; W142-C145 HydrophobicContact CE3-CB 4.1Å; W142-C145 HydrophobicContact CZ3-CB 4.3Å; W142-C145 WeakPolarHBondContact O-CA 3.39Å; W142-C145 WeakPolarHBondContact O-CB 3.27Å; W142-C145 PolarHBondContact O-N 3.32Å; T143-C145 VanDerWaalsContact C-N 3.32Å; C145-G147 VanDerWaalsContact C-N 3.34Å; C145-G147 PolarHBondContact O-N 2.97Å; C145-C213 WeakPolarHBondContact O-CA 3.33Å; C145-S214 VanDerWaalsContact CA-O 3.31Å; C145-S214 WeakPolarHBondContact CA-O 3.29Å; C145-S214 PolarHBondContact O-N 3.4Å; C145-S214 PolarHBondContact SG-O 3.41Å; C145-S214 VanDerWaalsContact SG-O 3.41Å
146Q82.6Confident79.5Confident85 Ų8553.7 Ų53.740%0.39733%0.331SS..SBendtrans-79.94.2-166.2-72-169.8-38.500116.6W142 T148W142-Q146 HydrophobicContact CD2-CG 4.26Å; W142-Q146 HydrophobicContact CH2-CG 4.41Å; W142-Q146 HydrophobicContact CZ2-CG 3.85Å; W142-Q146 VanDerWaalsContact NE1-CD 3.26Å; W142-Q146 PolarHBondContact O-N 3.15Å; Q146-T148 PolarHBondContact O-N 2.97Å; Q146-T148 PolarHBondContact O-OG1 3.2Å
147G61Low79.1Confident72 Ų7256.7 Ų56.774%0.74234%0.343SS*.SBendtrans64.5-8.3172.500000116.9C145C145-G147 VanDerWaalsContact C-N 3.34Å; C145-G147 PolarHBondContact O-N 2.97Å
148T47.3Very low78.9Confident124 Ų12461.8 Ų61.876%0.76137%0.366SS*.  trans-102.63.1-178.150.20000113.7Q146Q146-T148 PolarHBondContact O-N 2.97Å; Q146-T148 PolarHBondContact O-OG1 3.2Å
149G50.5Low78.7Confident38 Ų3864.6 Ų64.639%0.39238%0.384SS..SBendtrans-69.7153.9175.100000112.5
150P50.6Low78.7Confident94 Ų9462.4 Ų62.461%0.6137%0.371SS*.  trans-53.4148.1174.624.9-33.3000109.7D152P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.26Å
151S56.7Low78.8Confident125 Ų12562.6 Ų62.687%0.87437%0.372SS*.  trans-58.789.7178.365.40000110S153S151-S153 PolarHBondContact O-N 2.96Å
152D65.8Low78.7Confident31 Ų3164.5 Ų64.517%0.16639%0.385CS..  trans-61.8131.3-178.8-64.6-42000108.5R144 P150R144-D152 IonicContact CZ-OD1 3.75Å; R144-D152 IonicContact CZ-OD2 3.49Å; R144-D152 IonicContact NE-OD2 3.8Å; R144-D152 PolarHBondContact NE-OD2 3.24Å; R144-D152 IonicContact NH1-OD1 3.26Å; R144-D152 PolarHBondContact NH1-OD1 2.9Å; R144-D152 IonicContact NH1-OD2 2.67Å; R144-D152 PolarHBondContact NH1-OD2 2.68Å; R144-D152 IonicContact NH2-OD1 3.13Å; R144-D152 IonicContact NH2-OD2 2.72Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.26Å
153S79.5Confident78.7Confident51 Ų5166.5 Ų66.536%0.35739%0.392SS..  trans-60.6143.8167.669.90000108.7S151 Q155 L156 R157S151-S153 PolarHBondContact O-N 2.96Å; S153-Q155 PolarHBondContact O-N 3.14Å; S153-Q155 VanDerWaalsContact O-N 3.13Å; S153-L156 PolarHBondContact O-N 3.43Å; S153-L156 WeakPolarHBondContact OG-CB 3.45Å; S153-L156 PolarHBondContact OG-N 3.07Å; S153-L156 VanDerWaalsContact OG-N 3.16Å; S153-R157 PolarHBondContact O-N 3.26Å; S153-R157 VanDerWaalsContact O-N 3.16Å
154P82.5Confident79Confident103 Ų10364 Ų6467%0.66938%0.377SS*.Hα-helixtrans-56.7-31.417722.6-33.1000111.6R157 E158P154-R157 PolarHBondContact O-N 3.4Å; P154-E158 PolarHBondContact O-N 3.14Å
155Q85.4Confident79.4Confident145 Ų14562.3 Ų62.368%0.67837%0.371SS*.Hα-helixtrans-62.7-47.8175.2-65.4161.7-9.700112.1S153 R157 E158 T159S153-Q155 PolarHBondContact O-N 3.14Å; S153-Q155 VanDerWaalsContact O-N 3.13Å; Q155-R157 VanDerWaalsContact C-N 3.3Å; Q155-R157 PolarHBondContact O-N 3.4Å; Q155-E158 PolarHBondContact O-N 2.96Å; Q155-T159 WeakPolarHBondContact O-CG2 3.5Å; Q155-T159 PolarHBondContact O-N 3.25Å; Q155-T159 PolarHBondContact O-OG1 3.02Å
156L85.8Confident79.7Confident56 Ų5663.2 Ų63.229%0.29338%0.378SS..Hα-helixtrans-63.1-39.3178179.663.1000111.4L105 S153 T159 L160L105-L156 HydrophobicContact CD1-CD1 3.86Å; S153-L156 PolarHBondContact O-N 3.43Å; S153-L156 WeakPolarHBondContact OG-CB 3.45Å; S153-L156 PolarHBondContact OG-N 3.07Å; S153-L156 VanDerWaalsContact OG-N 3.16Å; L156-T159 WeakPolarHBondContact CA-OG1 3.43Å; L156-T159 PolarHBondContact O-N 3.33Å; L156-T159 PolarHBondContact O-OG1 2.95Å; L156-L160 HydrophobicContact CD1-CD1 4.18Å; L156-L160 HydrophobicContact CD1-CG 4.26Å; L156-L160 HydrophobicContact CG-CD1 3.99Å; L156-L160 WeakPolarHBondContact O-CB 3.41Å; L156-L160 VanDerWaalsContact O-CG 3.28Å; L156-L160 WeakPolarHBondContact O-CG 3.2Å; L156-L160 PolarHBondContact O-N 3.45Å
157R86.7Confident80.3Confident90 Ų9059.1 Ų59.134%0.3436%0.359SS..Hα-helixtrans-62.8-44176.5-172177.3-64.9159.72.8111.4S153 P154 Q155 L161 F217S153-R157 PolarHBondContact O-N 3.26Å; S153-R157 VanDerWaalsContact O-N 3.16Å; P154-R157 PolarHBondContact O-N 3.4Å; Q155-R157 VanDerWaalsContact C-N 3.3Å; Q155-R157 PolarHBondContact O-N 3.4Å; R157-L161 WeakPolarHBondContact O-CB 3.32Å; R157-L161 PolarHBondContact O-N 2.9Å; R157-F217 HydrophobicContact CG-CD2 3.73Å; R157-F217 HydrophobicContact CG-CE2 3.82Å
158E89.9Confident81.9Confident106 Ų10655.8 Ų55.850%0.49532%0.324SS..Hα-helixtrans-68.6-39.5179.2-176.9164.6-149.400112.7P154 Q155 L161 S162P154-E158 PolarHBondContact O-N 3.14Å; Q155-E158 PolarHBondContact O-N 2.96Å; E158-L161 PolarHBondContact O-N 3.37Å; E158-S162 VanDerWaalsContact O-CB 3.3Å; E158-S162 WeakPolarHBondContact O-CB 3.39Å; E158-S162 PolarHBondContact O-N 2.9Å; E158-S162 PolarHBondContact O-OG 3.15Å
159T91.9Very high84Confident68 Ų6853 Ų5342%0.41730%0.304SS..Hα-helixtrans-65.5-46.9176.354.90000111.2Q155 L156 L161 S162 R163Q155-T159 WeakPolarHBondContact O-CG2 3.5Å; Q155-T159 PolarHBondContact O-N 3.25Å; Q155-T159 PolarHBondContact O-OG1 3.02Å; L156-T159 WeakPolarHBondContact CA-OG1 3.43Å; L156-T159 PolarHBondContact O-N 3.33Å; L156-T159 PolarHBondContact O-OG1 2.95Å; T159-L161 PolarHBondContact O-N 2.91Å; T159-S162 PolarHBondContact O-N 3.45Å; T159-R163 WeakPolarHBondContact O-CB 3.45Å; T159-R163 VanDerWaalsContact O-CG 3.26Å; T159-R163 WeakPolarHBondContact O-CG 3.4Å; T159-R163 PolarHBondContact O-N 3.4Å
160L93.1Very high86Confident1 Ų153.3 Ų53.31%0.00530%0.297CS..Hα-helixtrans-57.2-49.6174.7-77.5170000111.7D101 L105 R144 L156 S162 R163 L164 F217D101-L160 HydrophobicContact CB-CD1 3.94Å; D101-L160 HydrophobicContact CB-CD2 3.89Å; D101-L160 WeakPolarHBondContact O-CD2 3.38Å; L105-L160 HydrophobicContact CD1-CD2 3.58Å; L105-L160 HydrophobicContact CD1-CG 4.02Å; L105-L160 HydrophobicContact CD2-CD2 3.8Å; L105-L160 HydrophobicContact CD2-CG 4.41Å; L105-L160 HydrophobicContact CG-CD2 3.48Å; L105-L160 VanDerWaalsContact CG-CD2 3.48Å; L105-L160 HydrophobicContact CG-CG 4.34Å; R144-L160 VanDerWaalsContact NH2-CD1 3.27Å; L156-L160 HydrophobicContact CD1-CD1 4.18Å; L156-L160 HydrophobicContact CD1-CG 4.26Å; L156-L160 HydrophobicContact CG-CD1 3.99Å; L156-L160 WeakPolarHBondContact O-CB 3.41Å; L156-L160 VanDerWaalsContact O-CG 3.28Å; L156-L160 WeakPolarHBondContact O-CG 3.2Å; L156-L160 PolarHBondContact O-N 3.45Å; L160-S162 VanDerWaalsContact C-N 3.32Å; L160-S162 PolarHBondContact O-N 3.26Å; L160-R163 PolarHBondContact O-N 3.11Å; L160-L164 VanDerWaalsContact O-CB 3.25Å; L160-L164 WeakPolarHBondContact O-CB 3.33Å; L160-L164 PolarHBondContact O-N 2.93Å; L160-F217 HydrophobicContact CB-CZ 4.46Å
161L93.6Very high87.9Confident5 Ų549 Ų493%0.02627%0.269CS..Hα-helixtrans-60.2-42.9178.7-178.469.9000111.6R157 E158 T159 V165 F217 Q220 A221 K224 W267R157-L161 WeakPolarHBondContact O-CB 3.32Å; R157-L161 PolarHBondContact O-N 2.9Å; E158-L161 PolarHBondContact O-N 3.37Å; T159-L161 PolarHBondContact O-N 2.91Å; L161-V165 HydrophobicContact CD1-CG2 4.49Å; L161-V165 WeakPolarHBondContact O-CG2 3.41Å; L161-V165 PolarHBondContact O-N 3.4Å; L161-F217 HydrophobicContact CB-CE2 4.28Å; L161-Q220 HydrophobicContact CD1-CB 4.08Å; L161-Q220 HydrophobicContact CD2-CB 3.88Å; L161-A221 VanDerWaalsContact CD1-CA 3.43Å; L161-A221 HydrophobicContact CD1-CB 3.85Å; L161-K224 HydrophobicContact CD2-CD 3.92Å; L161-K224 HydrophobicContact CG-CD 3.72Å; L161-W267 HydrophobicContact CD2-CH2 3.7Å; L161-W267 HydrophobicContact CD2-CZ3 4.07Å
162S92.8Very high89.5Confident39 Ų3945 Ų4527%0.27324%0.243SC..Hα-helixtrans-63.9-44.8177.6-56.20000112.1E158 T159 L160 A166 K224E158-S162 VanDerWaalsContact O-CB 3.3Å; E158-S162 WeakPolarHBondContact O-CB 3.39Å; E158-S162 PolarHBondContact O-N 2.9Å; E158-S162 PolarHBondContact O-OG 3.15Å; T159-S162 PolarHBondContact O-N 3.45Å; L160-S162 VanDerWaalsContact C-N 3.32Å; L160-S162 PolarHBondContact O-N 3.26Å; S162-A166 WeakPolarHBondContact O-CB 3.25Å; S162-A166 PolarHBondContact O-N 3.49Å; S162-K224 VanDerWaalsContact CA-NZ 3.35Å; S162-K224 PolarHBondContact OG-NZ 3.09Å
163R93.8Very high90.7Very high75 Ų7548.5 Ų48.528%0.28326%0.262SS..Hα-helixtrans-69.7-41.6-178.8-72.6-66.9-172.3166.57.2112L105 M108 T159 L160 L167L105-R163 HydrophobicContact CD2-CB 4.2Å; L105-R163 HydrophobicContact CD2-CG 3.93Å; M108-R163 HydrophobicContact CE-CB 3.93Å; M108-R163 HydrophobicContact CE-CG 4.46Å; M108-R163 WeakPolarHBondContact CE-O 3.41Å; M108-R163 HydrophobicContact SD-CB 3.69Å; M108-R163 HydrophobicContact SD-CG 4.44Å; T159-R163 WeakPolarHBondContact O-CB 3.45Å; T159-R163 VanDerWaalsContact O-CG 3.26Å; T159-R163 WeakPolarHBondContact O-CG 3.4Å; T159-R163 PolarHBondContact O-N 3.4Å; L160-R163 PolarHBondContact O-N 3.11Å; R163-L167 PolarHBondContact O-N 3.02Å; R163-L167 VanDerWaalsContact O-N 3.13Å
164L95.2Very high91.1Very high1 Ų149.4 Ų49.41%0.00526%0.26CS..Hα-helixtrans-59.7-52.6177-179.7146.6000111L104 L137 L140 L160 L167 Y188 L192 A221L104-L164 HydrophobicContact CD2-CB 4.24Å; L137-L164 HydrophobicContact CD2-CD1 4.06Å; L140-L164 HydrophobicContact CD2-CD1 4.06Å; L160-L164 VanDerWaalsContact O-CB 3.25Å; L160-L164 WeakPolarHBondContact O-CB 3.33Å; L160-L164 PolarHBondContact O-N 2.93Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 PolarHBondContact O-N 3.33Å; L164-Y188 PolarHBondContact O-OH 2.95Å; L164-L192 HydrophobicContact CD2-CD1 3.84Å; L164-L192 HydrophobicContact CD2-CD2 3.84Å; L164-A221 HydrophobicContact CD2-CB 4.4Å
165V95.1Very high91.3Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-73.8-38.9-176.3-168.10000111.5L161 L167 P168 Y189 K224 A225L161-V165 HydrophobicContact CD1-CG2 4.49Å; L161-V165 WeakPolarHBondContact O-CG2 3.41Å; L161-V165 PolarHBondContact O-N 3.4Å; V165-L167 PolarHBondContact O-N 3.34Å; V165-P168 WeakPolarHBondContact O-CD 3.4Å; V165-Y189 HydrophobicContact CG1-CE1 3.99Å; V165-Y189 PolarHBondContact O-OH 2.82Å; V165-K224 HydrophobicContact CB-CG 4.39Å; V165-K224 HydrophobicContact CG1-CG 4.49Å; V165-K224 HydrophobicContact CG2-CB 4.15Å; V165-K224 HydrophobicContact CG2-CD 4.33Å; V165-K224 HydrophobicContact CG2-CG 4.27Å; V165-A225 VanDerWaalsContact CG1-CA 3.44Å; V165-A225 HydrophobicContact CG1-CB 3.81Å
166A93.8Very high91.3Very high18 Ų1844.4 Ų44.415%0.14923%0.228CC..THydrogen-bonded Turntrans-80.210.8178.800000114.5S162 D169 L170S162-A166 WeakPolarHBondContact O-CB 3.25Å; S162-A166 PolarHBondContact O-N 3.49Å; A166-D169 PolarHBondContact O-N 3.46Å; A166-L170 HydrophobicContact CB-CD1 4.09Å; A166-L170 HydrophobicContact CB-CG 4.32Å; A166-L170 WeakPolarHBondContact O-CB 3.43Å; A166-L170 VanDerWaalsContact O-CG 3.23Å; A166-L170 WeakPolarHBondContact O-CG 3.5Å; A166-L170 PolarHBondContact O-N 2.92Å
167L95Very high91.1Very high0 Ų050.8 Ų50.80%026%0.256CS..Hα-helixtrans-57.1-45.7-178.2-173159.6000112.5L104 M108 L128 L132 R163 L164 V165 D169 L170 T171 F183 Y188L104-L167 HydrophobicContact CD1-CD1 4.01Å; M108-L167 HydrophobicContact CE-CB 4.23Å; M108-L167 HydrophobicContact CE-CG 4.36Å; M108-L167 HydrophobicContact SD-CD1 4.49Å; L128-L167 HydrophobicContact CD1-CD1 4.43Å; L132-L167 HydrophobicContact CD2-CD1 4.44Å; R163-L167 PolarHBondContact O-N 3.02Å; R163-L167 VanDerWaalsContact O-N 3.13Å; L164-L167 WeakPolarHBondContact O-CB 3.36Å; L164-L167 PolarHBondContact O-N 3.33Å; V165-L167 PolarHBondContact O-N 3.34Å; L167-D169 VanDerWaalsContact C-N 3.35Å; L167-D169 PolarHBondContact O-N 3.32Å; L167-L170 PolarHBondContact O-N 3.45Å; L167-T171 HydrophobicContact CD2-CG2 3.97Å; L167-T171 HydrophobicContact CG-CG2 4.46Å; L167-T171 WeakPolarHBondContact O-CB 3.43Å; L167-T171 WeakPolarHBondContact O-CG2 3.46Å; L167-T171 PolarHBondContact O-N 2.83Å; L167-T171 PolarHBondContact O-OG1 3.07Å; L167-F183 HydrophobicContact CD2-CD1 3.72Å; L167-F183 HydrophobicContact CD2-CE1 4.37Å; L167-F183 HydrophobicContact CD2-CG 4.5Å; L167-Y188 HydrophobicContact CB-CE1 4.34Å; L167-Y188 HydrophobicContact CB-CE2 4.27Å; L167-Y188 HydrophobicContact CD1-CE2 3.92Å; L167-Y188 HydrophobicContact CD2-CD2 4.08Å; L167-Y188 HydrophobicContact CD2-CE2 3.93Å; L167-Y188 HydrophobicContact CG-CE2 4.27Å
168P94.4Very high90.8Very high1 Ų153.5 Ų53.51%0.00627%0.272CS..Hα-helixtrans-57.3-45.5175.3-28.939.6000113V165 T171 A172 F183 P185 Y188 Y189V165-P168 WeakPolarHBondContact O-CD 3.4Å; P168-T171 PolarHBondContact O-OG1 3.38Å; P168-A172 WeakPolarHBondContact O-CB 3.25Å; P168-A172 PolarHBondContact O-N 3.13Å; P168-F183 VanDerWaalsContact CA-O 3.28Å; P168-F183 WeakPolarHBondContact CA-O 3.27Å; P168-F183 WeakPolarHBondContact CB-O 3.45Å; P168-P185 HydrophobicContact CB-CG 4.05Å; P168-Y188 HydrophobicContact CG-CD1 3.3Å; P168-Y188 HydrophobicContact CG-CE1 4.07Å; P168-Y188 HydrophobicContact CG-CG 3.59Å; P168-Y189 HydrophobicContact CG-CE2 4Å
169D92.3Very high90.8Very high66 Ų6650 Ų5035%0.35326%0.257SS..Hα-helixtrans-67.4-42.9-178.4-58.2-35000111.1A166 L167 A172 N173A166-D169 PolarHBondContact O-N 3.46Å; L167-D169 VanDerWaalsContact C-N 3.35Å; L167-D169 PolarHBondContact O-N 3.32Å; D169-A172 PolarHBondContact O-N 2.66Å; D169-N173 VanDerWaalsContact O-CB 3.27Å; D169-N173 WeakPolarHBondContact O-CB 3.24Å; D169-N173 PolarHBondContact O-N 2.86Å; D169-N173 PolarHBondContact O-ND2 3.33Å
170L91.4Very high90.6Very high45 Ų4549.5 Ų49.524%0.23625%0.249CC..Hα-helixtrans-66.3-40.7-179.6-71.3168.9000112M108 A166 L167 Q174M108-L170 HydrophobicContact CE-CB 4.22Å; M108-L170 HydrophobicContact CE-CD1 3.27Å; M108-L170 HydrophobicContact CE-CG 4.38Å; A166-L170 HydrophobicContact CB-CD1 4.09Å; A166-L170 HydrophobicContact CB-CG 4.32Å; A166-L170 WeakPolarHBondContact O-CB 3.43Å; A166-L170 VanDerWaalsContact O-CG 3.23Å; A166-L170 WeakPolarHBondContact O-CG 3.5Å; A166-L170 PolarHBondContact O-N 2.92Å; L167-L170 PolarHBondContact O-N 3.45Å; L170-Q174 VanDerWaalsContact O-CG 3.32Å; L170-Q174 WeakPolarHBondContact O-CG 3.49Å; L170-Q174 PolarHBondContact O-N 3.45Å
171T91.3Very high90.6Very high4 Ų454.1 Ų54.13%0.02528%0.277CS..Hα-helixtrans-72.7-39.3176.351.90000111.8L128 L167 P168 N173 Q174 L175 F183L128-T171 HydrophobicContact CD2-CG2 4.18Å; L167-T171 HydrophobicContact CD2-CG2 3.97Å; L167-T171 HydrophobicContact CG-CG2 4.46Å; L167-T171 WeakPolarHBondContact O-CB 3.43Å; L167-T171 WeakPolarHBondContact O-CG2 3.46Å; L167-T171 PolarHBondContact O-N 2.83Å; L167-T171 PolarHBondContact O-OG1 3.07Å; P168-T171 PolarHBondContact O-OG1 3.38Å; T171-N173 VanDerWaalsContact C-N 3.34Å; T171-N173 PolarHBondContact O-N 3.18Å; T171-Q174 PolarHBondContact O-N 3.06Å; T171-L175 VanDerWaalsContact O-CB 3.28Å; T171-L175 WeakPolarHBondContact O-CB 3.46Å; T171-L175 WeakPolarHBondContact O-CG 3.44Å; T171-L175 PolarHBondContact O-N 3.26Å; T171-F183 HydrophobicContact CG2-CD1 4.43Å; T171-F183 HydrophobicContact CG2-CD2 4.49Å; T171-F183 HydrophobicContact CG2-CG 4.23Å; T171-F183 WeakPolarHBondContact OG1-CB 3.43Å
172A90.8Very high90.5Very high39 Ų3955.3 Ų55.332%0.32228%0.283SS..Hα-helixtrans-62.1-41174.400000112.2P168 D169 Q174 H176 N179P168-A172 WeakPolarHBondContact O-CB 3.25Å; P168-A172 PolarHBondContact O-N 3.13Å; D169-A172 PolarHBondContact O-N 2.66Å; A172-Q174 VanDerWaalsContact C-N 3.31Å; A172-Q174 PolarHBondContact O-N 2.93Å; A172-H176 WeakPolarHBondContact O-CA 3.28Å; A172-H176 PolarHBondContact O-N 3.08Å; A172-N179 WeakPolarHBondContact CA-ND2 3.3Å
173N90.2Very high90.6Very high106 Ų10653.5 Ų53.557%0.56727%0.271SS*.Hα-helixtrans-67.2-28.6178.1-73.4-25.9000113.4D169 T171 H176D169-N173 VanDerWaalsContact O-CB 3.27Å; D169-N173 WeakPolarHBondContact O-CB 3.24Å; D169-N173 PolarHBondContact O-N 2.86Å; D169-N173 PolarHBondContact O-ND2 3.33Å; T171-N173 VanDerWaalsContact C-N 3.34Å; T171-N173 PolarHBondContact O-N 3.18Å; N173-H176 PolarHBondContact O-CE1 3.01Å; N173-H176 PolarHBondContact O-NE2 3.36Å
174Q87.7Confident90.6Very high69 Ų6953.2 Ų53.232%0.32228%0.275SS..Hα-helixtrans-93.6-37.9-179.6-67.5-64.2-19.600113I111 L170 T171 A172I111-Q174 HydrophobicContact CG2-CB 4.21Å; I111-Q174 HydrophobicContact CG2-CG 4.42Å; L170-Q174 VanDerWaalsContact O-CG 3.32Å; L170-Q174 WeakPolarHBondContact O-CG 3.49Å; L170-Q174 PolarHBondContact O-N 3.45Å; T171-Q174 PolarHBondContact O-N 3.06Å; A172-Q174 VanDerWaalsContact C-N 3.31Å; A172-Q174 PolarHBondContact O-N 2.93Å
175L86.6Confident90.6Very high11 Ų1154.8 Ų54.86%0.05829%0.285CS..Hα-helixtrans-96.1-18.2-172.8-56.4176.7000113.2L121 V125 T171 H177 H178 N179 F183L121-L175 HydrophobicContact CD1-CD2 4.34Å; L121-L175 HydrophobicContact CD2-CD2 4.04Å; L121-L175 HydrophobicContact CG-CD2 4.19Å; V125-L175 HydrophobicContact CG1-CD1 3.84Å; V125-L175 HydrophobicContact CG2-CD1 3.78Å; V125-L175 HydrophobicContact CG2-CD2 3.67Å; V125-L175 HydrophobicContact CG2-CG 4.35Å; T171-L175 VanDerWaalsContact O-CB 3.28Å; T171-L175 WeakPolarHBondContact O-CB 3.46Å; T171-L175 WeakPolarHBondContact O-CG 3.44Å; T171-L175 PolarHBondContact O-N 3.26Å; L175-H177 PolarHBondContact O-N 2.84Å; L175-H177 VanDerWaalsContact O-N 3.12Å; L175-H178 WeakPolarHBondContact O-CB 3.35Å; L175-H178 PolarHBondContact O-N 3.18Å; L175-N179 HydrophobicContact CB-CB 4.02Å; L175-F183 HydrophobicContact CD1-CD2 4.44Å
176H86.1Confident90.6Very high132 Ų13260.4 Ų60.461%0.61131%0.311SS*.G310 helixtrans46.4-116.3-177.9-57.5-57.8000111.9A172 N173 H178 N179A172-H176 WeakPolarHBondContact O-CA 3.28Å; A172-H176 PolarHBondContact O-N 3.08Å; N173-H176 PolarHBondContact O-CE1 3.01Å; N173-H176 PolarHBondContact O-NE2 3.36Å; H176-H178 VanDerWaalsContact C-N 3.31Å; H176-H178 PolarHBondContact O-N 3.41Å; H176-N179 WeakPolarHBondContact O-CB 3.21Å; H176-N179 PolarHBondContact O-N 3.12Å
177H80.8Confident90.7Very high190 Ų19064.3 Ų64.388%0.8833%0.326SS*.G310 helixtrans-73.9-15.1-179.5-60.8-66.2000114.6L175 N179L175-H177 PolarHBondContact O-N 2.84Å; L175-H177 VanDerWaalsContact O-N 3.12Å; H177-N179 VanDerWaalsContact C-N 3.26Å
178H82Confident90.8Very high147 Ų14764.3 Ų64.368%0.68133%0.326SS*.G310 helixtrans-90.210.4177.4-5689.9000112.4L175 H176L175-H178 WeakPolarHBondContact O-CB 3.35Å; L175-H178 PolarHBondContact O-N 3.18Å; H176-H178 VanDerWaalsContact C-N 3.31Å; H176-H178 PolarHBondContact O-N 3.41Å
179N88.4Confident91Very high32 Ų3264.2 Ų64.217%0.17133%0.326CS..  trans-67.8144.3-178.8-1598.8000111.3A172 L175 H176 H177 F183A172-N179 WeakPolarHBondContact CA-ND2 3.3Å; L175-N179 HydrophobicContact CB-CB 4.02Å; H176-N179 WeakPolarHBondContact O-CB 3.21Å; H176-N179 PolarHBondContact O-N 3.12Å; H177-N179 VanDerWaalsContact C-N 3.26Å; N179-F183 WeakPolarHBondContact OD1-CB 3.32Å; N179-F183 WeakPolarHBondContact OD1-CD2 3.36Å
180K89.1Confident91.2Very high59 Ų5962 Ų6226%0.25732%0.315SS..  trans-86.1151.4179.1-60.6-169.6173.2178.20111.1V125 E129 L182 F183V125-K180 HydrophobicContact CG1-CD 3.96Å; V125-K180 HydrophobicContact CG1-CG 4.18Å; E129-K180 HydrophobicContact CB-CD 4.43Å; E129-K180 HydrophobicContact CG-CD 4.39Å; E129-K180 WeakPolarHBondContact OE2-CD 3.44Å; E129-K180 WeakPolarHBondContact OE2-CE 3.32Å; E129-K180 IonicContact OE2-NZ 3.43Å; E129-K180 PolarHBondContact OE2-NZ 3.27Å; K180-L182 VanDerWaalsContact C-N 3.26Å; K180-L182 PolarHBondContact O-N 3.38Å; K180-F183 HydrophobicContact CB-CD2 3.71Å; K180-F183 HydrophobicContact CB-CE2 3.81Å; K180-F183 HydrophobicContact CD-CE2 4.1Å; K180-F183 HydrophobicContact CG-CD2 4.36Å; K180-F183 HydrophobicContact CG-CE2 4.08Å; K180-F183 PolarHBondContact O-N 2.91Å
181T91.6Very high91.5Very high98 Ų9861.3 Ų61.360%0.60131%0.311SS*.G310 helixtrans-57.4-37.5-17854.60000112.9F183 L184 Q187T181-F183 PolarHBondContact O-N 3.22Å; T181-L184 WeakPolarHBondContact O-CB 3.32Å; T181-L184 PolarHBondContact O-N 3.42Å; T181-L184 VanDerWaalsContact O-N 3.12Å; T181-Q187 WeakPolarHBondContact O-CB 3.14Å; T181-Q187 WeakPolarHBondContact O-CG 3.37Å
182L93.1Very high91.8Very high29 Ų2961.1 Ų61.115%0.15231%0.31CS..G310 helixtrans-63.8-22.1178.7-81.1175.8000114.4E129 Q133 K180 L191E129-L182 HydrophobicContact CG-CD1 3.58Å; Q133-L182 HydrophobicContact CG-CD1 3.65Å; K180-L182 VanDerWaalsContact C-N 3.26Å; K180-L182 PolarHBondContact O-N 3.38Å; L182-L191 HydrophobicContact CD2-CD1 4.34Å
183F94.5Very high92.1Very high1 Ų159.2 Ų59.20%0.00430%0.295CS..G310 helixtrans-91.7-8178-54.2-47.7000112.9V125 L128 E129 L132 L167 P168 T171 L175 N179 K180 T181V125-F183 HydrophobicContact CG1-CE2 3.59Å; V125-F183 HydrophobicContact CG1-CZ 4.28Å; L128-F183 HydrophobicContact CB-CE1 4.49Å; L128-F183 HydrophobicContact CB-CZ 4.23Å; L128-F183 HydrophobicContact CD2-CE1 3.94Å; L128-F183 HydrophobicContact CD2-CZ 4.14Å; L128-F183 HydrophobicContact CG-CE1 3.9Å; L128-F183 HydrophobicContact CG-CZ 4.12Å; E129-F183 HydrophobicContact CB-CZ 3.97Å; L132-F183 HydrophobicContact CD1-CD1 3.79Å; L132-F183 HydrophobicContact CD1-CE1 3.59Å; L167-F183 HydrophobicContact CD2-CD1 3.72Å; L167-F183 HydrophobicContact CD2-CE1 4.37Å; L167-F183 HydrophobicContact CD2-CG 4.5Å; P168-F183 VanDerWaalsContact CA-O 3.28Å; P168-F183 WeakPolarHBondContact CA-O 3.27Å; P168-F183 WeakPolarHBondContact CB-O 3.45Å; T171-F183 HydrophobicContact CG2-CD1 4.43Å; T171-F183 HydrophobicContact CG2-CD2 4.49Å; T171-F183 HydrophobicContact CG2-CG 4.23Å; T171-F183 WeakPolarHBondContact OG1-CB 3.43Å; L175-F183 HydrophobicContact CD1-CD2 4.44Å; N179-F183 WeakPolarHBondContact OD1-CB 3.32Å; N179-F183 WeakPolarHBondContact OD1-CD2 3.36Å; K180-F183 HydrophobicContact CB-CD2 3.71Å; K180-F183 HydrophobicContact CB-CE2 3.81Å; K180-F183 HydrophobicContact CD-CE2 4.1Å; K180-F183 HydrophobicContact CG-CD2 4.36Å; K180-F183 HydrophobicContact CG-CE2 4.08Å; K180-F183 PolarHBondContact O-N 2.91Å; T181-F183 PolarHBondContact O-N 3.22Å
184L94.2Very high92.5Very high70 Ų7061.9 Ų61.937%0.36630%0.297SS..SBendtrans-68.3143.4174.7-61176.8000110T181 Q186 Q187 Y188T181-L184 WeakPolarHBondContact O-CB 3.32Å; T181-L184 PolarHBondContact O-N 3.42Å; T181-L184 VanDerWaalsContact O-N 3.12Å; L184-Q186 PolarHBondContact O-N 3.32Å; L184-Q186 VanDerWaalsContact O-N 3.08Å; L184-Q187 PolarHBondContact O-N 3.04Å; L184-Y188 WeakPolarHBondContact O-CB 3.45Å; L184-Y188 PolarHBondContact O-N 2.9Å
185P95.2Very high92.9Very high34 Ų3459.3 Ų59.322%0.22129%0.285CS..Hα-helixtrans-49.2-39.9178.8-31.136.9000113.5P168 Q187 Y189 L233P168-P185 HydrophobicContact CB-CG 4.05Å; P185-Q187 PolarHBondContact O-N 2.67Å; P185-Y189 HydrophobicContact CB-CD2 3.87Å; P185-Y189 HydrophobicContact CB-CE2 3.85Å; P185-Y189 VanDerWaalsContact O-CD2 3.31Å; P185-Y189 WeakPolarHBondContact O-CD2 3.5Å; P185-Y189 PolarHBondContact O-N 3.15Å; P185-L233 HydrophobicContact CB-CD1 4.26Å; P185-L233 WeakPolarHBondContact O-CD1 3.14Å
186Q95.1Very high93.4Very high118 Ų11858.9 Ų58.955%0.55128%0.283SS*.Hα-helixtrans-63.5-22.3-178.4-60.683.2-0.300113.7L184 P190L184-Q186 PolarHBondContact O-N 3.32Å; L184-Q186 VanDerWaalsContact O-N 3.08Å; Q186-P190 WeakPolarHBondContact O-CD 3.44Å; Q186-P190 VanDerWaalsContact O-CG 3.29Å; Q186-P190 WeakPolarHBondContact O-CG 3.48Å
187Q95.5Very high93.9Very high99 Ų9953.5 Ų53.546%0.46326%0.258SS..Hα-helixtrans-106.2-39.5177.9-63.5-62.3-26.900111.6T181 L184 P185 L191T181-Q187 WeakPolarHBondContact O-CB 3.14Å; T181-Q187 WeakPolarHBondContact O-CG 3.37Å; L184-Q187 PolarHBondContact O-N 3.04Å; P185-Q187 PolarHBondContact O-N 2.67Å; Q187-L191 WeakPolarHBondContact O-CB 3.42Å; Q187-L191 PolarHBondContact O-N 2.94Å; Q187-L191 VanDerWaalsContact O-N 3.13Å
188Y97.4Very high94.7Very high0 Ų047 Ų470%023%0.232CC..Hα-helixtrans-66.9-48.4-175.9-177.2-99.8000113.1L132 L137 L164 L167 P168 L184 L191 L192L132-Y188 HydrophobicContact CD1-CD2 4Å; L132-Y188 HydrophobicContact CD1-CE2 4.02Å; L132-Y188 HydrophobicContact CD2-CE2 3.95Å; L137-Y188 HydrophobicContact CD1-CE2 4.14Å; L164-Y188 PolarHBondContact O-OH 2.95Å; L167-Y188 HydrophobicContact CB-CE1 4.34Å; L167-Y188 HydrophobicContact CB-CE2 4.27Å; L167-Y188 HydrophobicContact CD1-CE2 3.92Å; L167-Y188 HydrophobicContact CD2-CD2 4.08Å; L167-Y188 HydrophobicContact CD2-CE2 3.93Å; L167-Y188 HydrophobicContact CG-CE2 4.27Å; P168-Y188 HydrophobicContact CG-CD1 3.3Å; P168-Y188 HydrophobicContact CG-CE1 4.07Å; P168-Y188 HydrophobicContact CG-CG 3.59Å; L184-Y188 WeakPolarHBondContact O-CB 3.45Å; L184-Y188 PolarHBondContact O-N 2.9Å; Y188-L191 WeakPolarHBondContact O-CB 3.47Å; Y188-L191 PolarHBondContact O-N 3.41Å; Y188-L192 HydrophobicContact CE1-CB 4.48Å; Y188-L192 HydrophobicContact CE1-CD2 4.27Å; Y188-L192 WeakPolarHBondContact O-CB 3.49Å; Y188-L192 PolarHBondContact O-N 3.01Å
189Y97.7Very high95.4Very high0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-69-38.1-176.7-69.5-68.4000113.4V165 P168 P185 L191 L192 A193 A225 H230 L233 V234V165-Y189 HydrophobicContact CG1-CE1 3.99Å; V165-Y189 PolarHBondContact O-OH 2.82Å; P168-Y189 HydrophobicContact CG-CE2 4Å; P185-Y189 HydrophobicContact CB-CD2 3.87Å; P185-Y189 HydrophobicContact CB-CE2 3.85Å; P185-Y189 VanDerWaalsContact O-CD2 3.31Å; P185-Y189 WeakPolarHBondContact O-CD2 3.5Å; P185-Y189 PolarHBondContact O-N 3.15Å; Y189-L191 VanDerWaalsContact C-N 3.34Å; Y189-L192 HydrophobicContact CD1-CD2 4.43Å; Y189-L192 PolarHBondContact O-N 3.05Å; Y189-A193 WeakPolarHBondContact O-CB 3.5Å; Y189-A193 PolarHBondContact O-N 2.94Å; Y189-A225 HydrophobicContact CD1-CB 4.28Å; Y189-A225 HydrophobicContact CE1-CB 4.18Å; Y189-H230 HydrophobicContact CD1-CB 3.98Å; Y189-H230 HydrophobicContact CD2-CB 3.71Å; Y189-H230 AromaticContact CD2-CG 3.52Å; Y189-H230 AromaticContact CD2-ND1 3.69Å; Y189-H230 HydrophobicContact CE1-CB 4.06Å; Y189-H230 AromaticContact CE1-CD2 3.8Å; Y189-H230 HydrophobicContact CE2-CB 3.81Å; Y189-H230 AromaticContact CE2-CD2 3.19Å; Y189-H230 WeakPolarHBondContact CE2-CD2 3.42Å; Y189-H230 AromaticContact CE2-CE1 3.46Å; Y189-H230 VanDerWaalsContact CE2-CE1 3.46Å; Y189-H230 WeakPolarHBondContact CE2-CE1 3.48Å; Y189-H230 AromaticContact CE2-CG 3.16Å; Y189-H230 AromaticContact CE2-ND1 3.36Å; Y189-H230 WeakPolarHBondContact CE2-ND1 3.33Å; Y189-H230 AromaticContact CE2-NE2 3.34Å; Y189-H230 VanDerWaalsContact CE2-NE2 3.34Å; Y189-H230 WeakPolarHBondContact CE2-NE2 3.43Å; Y189-H230 HydrophobicContact CG-CB 3.81Å; Y189-H230 AromaticContact CZ-CD2 3.04Å; Y189-H230 AromaticContact CZ-CG 3.44Å; Y189-H230 VanDerWaalsContact CZ-CG 3.44Å; Y189-H230 AromaticContact CZ-NE2 3.46Å; Y189-H230 PolarHBondContact OH-CD2 2.91Å; Y189-H230 PolarHBondContact OH-NE2 3.42Å; Y189-H230 VanDerWaalsContact OH-NE2 3.1Å; Y189-L233 HydrophobicContact CD2-CD1 4.06Å; Y189-V234 HydrophobicContact CD1-CG2 4.2Å; Y189-V234 HydrophobicContact CG-CG2 4.47Å
190P97.3Very high95.8Very high20 Ų2038.4 Ų38.413%0.1319%0.191CC..Hα-helixtrans-61.2-39.1168-30.541000113.4Q186 A193 R194 V237Q186-P190 WeakPolarHBondContact O-CD 3.44Å; Q186-P190 VanDerWaalsContact O-CG 3.29Å; Q186-P190 WeakPolarHBondContact O-CG 3.48Å; P190-A193 PolarHBondContact O-N 3.17Å; P190-R194 WeakPolarHBondContact O-CG 3.4Å; P190-R194 PolarHBondContact O-N 2.7Å; P190-V237 HydrophobicContact CB-CG2 3.79Å
191L97.1Very high96.1Very high29 Ų2940.3 Ų40.315%0.15220%0.201CC..Hα-helixtrans-62.3-48.9174.2-177.8154.9000111L132 L137 L182 Q187 Y188 Y189 A193 R194 D195L132-L191 HydrophobicContact CB-CD1 4.38Å; L137-L191 HydrophobicContact CD1-CD2 3.91Å; L182-L191 HydrophobicContact CD2-CD1 4.34Å; Q187-L191 WeakPolarHBondContact O-CB 3.42Å; Q187-L191 PolarHBondContact O-N 2.94Å; Q187-L191 VanDerWaalsContact O-N 3.13Å; Y188-L191 WeakPolarHBondContact O-CB 3.47Å; Y188-L191 PolarHBondContact O-N 3.41Å; Y189-L191 VanDerWaalsContact C-N 3.34Å; L191-A193 VanDerWaalsContact C-N 3.27Å; L191-A193 PolarHBondContact O-N 3.46Å; L191-R194 WeakPolarHBondContact O-CB 3.31Å; L191-R194 PolarHBondContact O-N 3.15Å; L191-R194 VanDerWaalsContact O-N 3.1Å; L191-D195 VanDerWaalsContact CD2-OD2 3.23Å; L191-D195 WeakPolarHBondContact CD2-OD2 3.32Å; L191-D195 PolarHBondContact O-N 2.94Å
192L97.4Very high96.2Very high0 Ų039.9 Ų39.90%019%0.188CC..Hα-helixtrans-59.1-39.2176.9178.261.8000111.7L137 L141 L164 Y188 Y189 D195 M196L137-L192 HydrophobicContact CD1-CD1 4.37Å; L141-L192 HydrophobicContact CD1-CD1 4.33Å; L164-L192 HydrophobicContact CD2-CD1 3.84Å; L164-L192 HydrophobicContact CD2-CD2 3.84Å; Y188-L192 HydrophobicContact CE1-CB 4.48Å; Y188-L192 HydrophobicContact CE1-CD2 4.27Å; Y188-L192 WeakPolarHBondContact O-CB 3.49Å; Y188-L192 PolarHBondContact O-N 3.01Å; Y189-L192 HydrophobicContact CD1-CD2 4.43Å; Y189-L192 PolarHBondContact O-N 3.05Å; L192-D195 PolarHBondContact O-N 3.02Å; L192-M196 HydrophobicContact CD1-CE 4.12Å; L192-M196 HydrophobicContact CD2-CE 4.02Å; L192-M196 HydrophobicContact CG-CE 3.84Å; L192-M196 VanDerWaalsContact O-CG 3.29Å; L192-M196 WeakPolarHBondContact O-CG 3.42Å; L192-M196 PolarHBondContact O-N 3.36Å
193A97.6Very high96.3Very high0 Ų038.6 Ų38.60%018%0.182CC..Hα-helixtrans-64.6-40.4175.500000112.4Y189 P190 L191 M196 L197 V234 V237 L238Y189-A193 WeakPolarHBondContact O-CB 3.5Å; Y189-A193 PolarHBondContact O-N 2.94Å; P190-A193 PolarHBondContact O-N 3.17Å; L191-A193 VanDerWaalsContact C-N 3.27Å; L191-A193 PolarHBondContact O-N 3.46Å; A193-M196 WeakPolarHBondContact O-CB 3.46Å; A193-M196 PolarHBondContact O-N 3.18Å; A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3.2Å; A193-V234 HydrophobicContact CB-CG1 4.18Å; A193-V237 HydrophobicContact CB-CB 3.79Å; A193-V237 HydrophobicContact CB-CG1 4.04Å; A193-V237 HydrophobicContact CB-CG2 4.4Å; A193-L238 HydrophobicContact CB-CD2 4.08Å; A193-L238 HydrophobicContact CB-CG 4.07Å; A193-L238 WeakPolarHBondContact O-CD2 3.01Å
194R97.6Very high96.3Very high162 Ų16238.5 Ų38.561%0.61118%0.181SC*.Hα-helixtrans-62.1-44.2173.4-69.5172.4-178.7166-0111.5P190 L191 M196 L197 T198 V237P190-R194 WeakPolarHBondContact O-CG 3.4Å; P190-R194 PolarHBondContact O-N 2.7Å; L191-R194 WeakPolarHBondContact O-CB 3.31Å; L191-R194 PolarHBondContact O-N 3.15Å; L191-R194 VanDerWaalsContact O-N 3.1Å; R194-M196 VanDerWaalsContact C-N 3.32Å; R194-M196 PolarHBondContact O-N 3.09Å; R194-L197 WeakPolarHBondContact O-CB 3.32Å; R194-L197 PolarHBondContact O-N 3.47Å; R194-L197 VanDerWaalsContact O-N 3.14Å; R194-T198 PolarHBondContact O-N 2.74Å; R194-T198 PolarHBondContact O-OG1 3.46Å; R194-V237 HydrophobicContact CG-CG1 3.82Å
195D96.7Very high96.2Very high14 Ų1439.5 Ų39.58%0.07518%0.184CC..Hα-helixtrans-61.7-40.8175.7-74.4-43.8000111.8L137 T138 L141 L191 L192 L197 T198 V199L137-D195 HydrophobicContact CB-CB 4.39Å; L137-D195 VanDerWaalsContact CB-OD2 3.24Å; L137-D195 WeakPolarHBondContact CB-OD2 3.46Å; T138-D195 VanDerWaalsContact OG1-CA 3.29Å; T138-D195 WeakPolarHBondContact OG1-CA 3.48Å; T138-D195 WeakPolarHBondContact OG1-CB 3.39Å; T138-D195 VanDerWaalsContact OG1-CG 3.3Å; T138-D195 PolarHBondContact OG1-OD1 3.45Å; L141-D195 HydrophobicContact CD1-CB 4.24Å; L191-D195 VanDerWaalsContact CD2-OD2 3.23Å; L191-D195 WeakPolarHBondContact CD2-OD2 3.32Å; L191-D195 PolarHBondContact O-N 2.94Å; L192-D195 PolarHBondContact O-N 3.02Å; D195-L197 PolarHBondContact O-N 3.37Å; D195-T198 PolarHBondContact O-N 2.9Å; D195-V199 WeakPolarHBondContact O-CG2 3.35Å; D195-V199 PolarHBondContact O-N 2.92Å
196M97.4Very high96.1Very high3 Ų338.2 Ų38.22%0.01518%0.176CC..Hα-helixtrans-59.5-43.8172.6-71.6174.917800111.6L141 L192 A193 R194 T198 V199 L200 V218 A221 L222 L238L141-M196 HydrophobicContact CD1-CG 4Å; L192-M196 HydrophobicContact CD1-CE 4.12Å; L192-M196 HydrophobicContact CD2-CE 4.02Å; L192-M196 HydrophobicContact CG-CE 3.84Å; L192-M196 VanDerWaalsContact O-CG 3.29Å; L192-M196 WeakPolarHBondContact O-CG 3.42Å; L192-M196 PolarHBondContact O-N 3.36Å; A193-M196 WeakPolarHBondContact O-CB 3.46Å; A193-M196 PolarHBondContact O-N 3.18Å; R194-M196 VanDerWaalsContact C-N 3.32Å; R194-M196 PolarHBondContact O-N 3.09Å; M196-T198 PolarHBondContact O-N 3.12Å; M196-V199 WeakPolarHBondContact O-CB 3.32Å; M196-V199 PolarHBondContact O-N 3.37Å; M196-L200 VanDerWaalsContact O-CG 3.3Å; M196-L200 WeakPolarHBondContact O-CG 3.28Å; M196-L200 PolarHBondContact O-N 2.69Å; M196-V218 HydrophobicContact CB-CG1 4.37Å; M196-V218 HydrophobicContact CG-CG1 4.12Å; M196-A221 HydrophobicContact CE-CB 3.53Å; M196-L222 HydrophobicContact CE-CB 4.31Å; M196-L222 HydrophobicContact SD-CB 4.27Å; M196-L238 HydrophobicContact CB-CD2 4.39Å
197L97.1Very high95.9Very high18 Ų1835.4 Ų35.49%0.09417%0.165CC..Hα-helixtrans-60.7-45.5177.1-71.6169.9000112.1A193 R194 D195 V199 L200 E201 V237 L238 H241 L242A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3.2Å; R194-L197 WeakPolarHBondContact O-CB 3.32Å; R194-L197 PolarHBondContact O-N 3.47Å; R194-L197 VanDerWaalsContact O-N 3.14Å; D195-L197 PolarHBondContact O-N 3.37Å; L197-V199 PolarHBondContact O-N 2.91Å; L197-L200 PolarHBondContact O-N 2.95Å; L197-L200 VanDerWaalsContact O-N 3.13Å; L197-E201 PolarHBondContact O-N 3.31Å; L197-V237 HydrophobicContact CD1-CG1 3.97Å; L197-L238 HydrophobicContact CD1-CD2 4.15Å; L197-L238 HydrophobicContact CD2-CD2 3.64Å; L197-L238 HydrophobicContact CG-CD2 3.51Å; L197-H241 HydrophobicContact CD1-CB 3.69Å; L197-H241 VanDerWaalsContact CD1-CD2 3.44Å; L197-H241 WeakPolarHBondContact CD1-CD2 3.4Å; L197-H241 HydrophobicContact CD2-CB 3.9Å; L197-H241 HydrophobicContact CG-CB 4.46Å; L197-L242 HydrophobicContact CD2-CD2 3.92Å; L197-L242 HydrophobicContact CD2-CG 4.31Å
198T96.9Very high95.8Very high53 Ų5337 Ų3733%0.32517%0.167SC..Hα-helixtrans-60.1-37.5176.6-54.90000111.4T138 R194 D195 M196 E201 R202T138-T198 HydrophobicContact CG2-CG2 3.77Å; R194-T198 PolarHBondContact O-N 2.74Å; R194-T198 PolarHBondContact O-OG1 3.46Å; D195-T198 PolarHBondContact O-N 2.9Å; M196-T198 PolarHBondContact O-N 3.12Å; T198-E201 PolarHBondContact O-N 3.04Å; T198-R202 WeakPolarHBondContact O-CG 3.47Å; T198-R202 PolarHBondContact O-N 3.35Å
199V96.6Very high95.5Very high0 Ų041.8 Ų41.80%019%0.192CC..Hα-helixtrans-68.7-40175.6174.90000111.7T138 L141 W142 D195 M196 L197 E201 R202 T203 V218T138-V199 HydrophobicContact CG2-CG2 4.14Å; L141-V199 HydrophobicContact CB-CB 4.44Å; L141-V199 HydrophobicContact CB-CG1 4.32Å; L141-V199 HydrophobicContact CB-CG2 3.52Å; L141-V199 HydrophobicContact CD1-CG2 4.2Å; W142-V199 HydrophobicContact CB-CG2 4.37Å; W142-V199 HydrophobicContact CE3-CG1 4.25Å; D195-V199 WeakPolarHBondContact O-CG2 3.35Å; D195-V199 PolarHBondContact O-N 2.92Å; M196-V199 WeakPolarHBondContact O-CB 3.32Å; M196-V199 PolarHBondContact O-N 3.37Å; L197-V199 PolarHBondContact O-N 2.91Å; V199-E201 VanDerWaalsContact C-N 3.34Å; V199-R202 PolarHBondContact O-N 3.41Å; V199-T203 WeakPolarHBondContact O-CB 3.39Å; V199-T203 PolarHBondContact O-N 3.35Å; V199-T203 PolarHBondContact O-OG1 2.92Å; V199-V218 HydrophobicContact CG1-CG2 3.77Å
200L96.2Very high95Very high0 Ų052.9 Ų52.90%023%0.234CC..Hα-helixtrans-65-38.9175.3-66175.1000111.5M196 L197 T203 C204 L215 L242 W252 V255 L259M196-L200 VanDerWaalsContact O-CG 3.3Å; M196-L200 WeakPolarHBondContact O-CG 3.28Å; M196-L200 PolarHBondContact O-N 2.69Å; L197-L200 PolarHBondContact O-N 2.95Å; L197-L200 VanDerWaalsContact O-N 3.13Å; L200-T203 WeakPolarHBondContact O-CB 3.38Å; L200-T203 PolarHBondContact O-N 3.47Å; L200-C204 PolarHBondContact O-N 3.5Å; L200-C204 PolarHBondContact O-SG 2.89Å; L200-L215 HydrophobicContact CD2-CD2 3.8Å; L200-L242 HydrophobicContact CD1-CD2 4.08Å; L200-W252 HydrophobicContact CB-CH2 3.86Å; L200-W252 HydrophobicContact CB-CZ3 3.59Å; L200-W252 HydrophobicContact CD1-CZ3 4.46Å; L200-V255 HydrophobicContact CB-CG1 4.36Å; L200-V255 HydrophobicContact CD2-CG1 3.78Å; L200-L259 HydrophobicContact CD1-CD2 3.98Å; L200-L259 HydrophobicContact CD2-CD1 4.29Å; L200-L259 HydrophobicContact CD2-CD2 4.18Å
201E95.7Very high94.6Very high98 Ų9857.8 Ų57.846%0.45825%0.253SS..Hα-helixtrans-63.7-46.5175.1-173.8178.8-175.400111.6L197 T198 V199 T203 C204 Q205 W252L197-E201 PolarHBondContact O-N 3.31Å; T198-E201 PolarHBondContact O-N 3.04Å; V199-E201 VanDerWaalsContact C-N 3.34Å; E201-T203 PolarHBondContact O-N 3.42Å; E201-C204 WeakPolarHBondContact O-CB 3.27Å; E201-C204 PolarHBondContact O-N 3.1Å; E201-C204 VanDerWaalsContact O-N 3.11Å; E201-Q205 WeakPolarHBondContact O-CG 3.41Å; E201-Q205 PolarHBondContact O-N 3.43Å; E201-W252 HydrophobicContact CB-CH2 3.92Å; E201-W252 HydrophobicContact CB-CZ2 3.71Å; E201-W252 HydrophobicContact CG-CZ2 4.03Å
202R94.9Very high94Very high89 Ų8963.7 Ų63.734%0.33629%0.285SS..Hα-helixtrans-60.5-35.9173.2-71.9179.5-174.2-167.82.9112.2W142 T198 V199 Q205 A206W142-R202 HydrophobicContact CD2-CB 4.06Å; W142-R202 HydrophobicContact CE3-CB 3.66Å; W142-R202 HydrophobicContact CH2-CB 3.75Å; W142-R202 WeakPolarHBondContact CH2-O 3.39Å; W142-R202 HydrophobicContact CZ2-CB 4.12Å; W142-R202 HydrophobicContact CZ3-CB 3.51Å; T198-R202 WeakPolarHBondContact O-CG 3.47Å; T198-R202 PolarHBondContact O-N 3.35Å; V199-R202 PolarHBondContact O-N 3.41Å; R202-Q205 PolarHBondContact O-N 2.93Å; R202-A206 WeakPolarHBondContact O-CB 3.49Å; R202-A206 PolarHBondContact O-N 3.15Å
203T93.9Very high93.6Very high2 Ų265.4 Ų65.41%0.01230%0.297CS..Hα-helixtrans-65-42.5174.8-54.50000110.5V199 L200 E201 Q205 A206 L207 C213 L215 V255V199-T203 WeakPolarHBondContact O-CB 3.39Å; V199-T203 PolarHBondContact O-N 3.35Å; V199-T203 PolarHBondContact O-OG1 2.92Å; L200-T203 WeakPolarHBondContact O-CB 3.38Å; L200-T203 PolarHBondContact O-N 3.47Å; E201-T203 PolarHBondContact O-N 3.42Å; T203-Q205 VanDerWaalsContact C-N 3.34Å; T203-Q205 PolarHBondContact O-N 3.19Å; T203-A206 PolarHBondContact O-N 3.42Å; T203-L207 HydrophobicContact CG2-CD1 4.06Å; T203-L207 HydrophobicContact CG2-CG 4.34Å; T203-L207 WeakPolarHBondContact O-CB 3.4Å; T203-L207 VanDerWaalsContact O-CG 3.25Å; T203-L207 WeakPolarHBondContact O-CG 3.47Å; T203-L207 PolarHBondContact O-N 2.97Å; T203-C213 HydrophobicContact CG2-CB 3.86Å; T203-L215 HydrophobicContact CG2-CD2 3.96Å; T203-L215 HydrophobicContact CG2-CG 4.31Å; T203-V255 HydrophobicContact CG2-CG2 4.33Å
204C94.1Very high93.3Very high0 Ų067.7 Ų67.70%031%0.313CS..Hα-helixtrans-59.9-44.9174.4-64.60000111.3L200 E201 L207 R208 V251L200-C204 PolarHBondContact O-N 3.5Å; L200-C204 PolarHBondContact O-SG 2.89Å; E201-C204 WeakPolarHBondContact O-CB 3.27Å; E201-C204 PolarHBondContact O-N 3.1Å; E201-C204 VanDerWaalsContact O-N 3.11Å; C204-L207 PolarHBondContact O-N 2.92Å; C204-R208 VanDerWaalsContact O-CG 3.3Å; C204-R208 WeakPolarHBondContact O-CG 3.31Å; C204-R208 PolarHBondContact O-N 2.94Å; C204-V251 HydrophobicContact CB-CG1 4.03Å
205Q93.9Very high93Very high90 Ų9060.4 Ų60.442%0.42129%0.286SS..Hα-helixtrans-61.7-47.3176.2-67.5173.64.400112E201 R202 T203 L207 R208 D209E201-Q205 WeakPolarHBondContact O-CG 3.41Å; E201-Q205 PolarHBondContact O-N 3.43Å; R202-Q205 PolarHBondContact O-N 2.93Å; T203-Q205 VanDerWaalsContact C-N 3.34Å; T203-Q205 PolarHBondContact O-N 3.19Å; Q205-L207 VanDerWaalsContact C-N 3.34Å; Q205-L207 PolarHBondContact O-N 3.39Å; Q205-R208 WeakPolarHBondContact O-CB 3.38Å; Q205-R208 PolarHBondContact O-N 3.31Å; Q205-R208 VanDerWaalsContact O-N 3.15Å; Q205-D209 PolarHBondContact O-N 3.47Å
206A91.9Very high92.8Very high7 Ų762 Ų626%0.05830%0.296CS..Hα-helixtrans-63.4-37.8178.900000113W142 R202 T203 R208 D209 R210 K211 C213W142-A206 HydrophobicContact CH2-CB 3.81Å; R202-A206 WeakPolarHBondContact O-CB 3.49Å; R202-A206 PolarHBondContact O-N 3.15Å; T203-A206 PolarHBondContact O-N 3.42Å; A206-R208 VanDerWaalsContact C-N 3.35Å; A206-D209 CarbonylContact O-C 3.4Å; A206-D209 WeakPolarHBondContact O-CA 3.48Å; A206-D209 WeakPolarHBondContact O-CB 3.38Å; A206-D209 PolarHBondContact O-N 2.92Å; A206-R210 PolarHBondContact O-N 3.17Å; A206-K211 HydrophobicContact CB-CB 4.25Å; A206-K211 WeakPolarHBondContact O-CB 3.35Å; A206-K211 PolarHBondContact O-N 3.47Å; A206-C213 VanDerWaalsContact CB-SG 3.57Å
207L90.8Very high92.6Very high60 Ų6062.1 Ų62.131%0.31430%0.296SS..Hα-helixtrans-67.1-35.5174.7-70.6173.7000112T203 C204 Q205 D209 R210 V251 V255T203-L207 HydrophobicContact CG2-CD1 4.06Å; T203-L207 HydrophobicContact CG2-CG 4.34Å; T203-L207 WeakPolarHBondContact O-CB 3.4Å; T203-L207 VanDerWaalsContact O-CG 3.25Å; T203-L207 WeakPolarHBondContact O-CG 3.47Å; T203-L207 PolarHBondContact O-N 2.97Å; C204-L207 PolarHBondContact O-N 2.92Å; Q205-L207 VanDerWaalsContact C-N 3.34Å; Q205-L207 PolarHBondContact O-N 3.39Å; L207-D209 VanDerWaalsContact C-N 3.3Å; L207-R210 PolarHBondContact O-N 3.28Å; L207-R210 VanDerWaalsContact O-N 3.11Å; L207-V251 HydrophobicContact CB-CG1 4.35Å; L207-V251 HydrophobicContact CD1-CG1 4.48Å; L207-V255 HydrophobicContact CD1-CG2 3.53Å
208R93Very high92.5Very high132 Ų13261.3 Ų61.350%0.49829%0.292SS..Hα-helixtrans-64.8-36.3171.2-68.3173.9-161.91470.7111.4C204 Q205 A206 R210 D249 V251C204-R208 VanDerWaalsContact O-CG 3.3Å; C204-R208 WeakPolarHBondContact O-CG 3.31Å; C204-R208 PolarHBondContact O-N 2.94Å; Q205-R208 WeakPolarHBondContact O-CB 3.38Å; Q205-R208 PolarHBondContact O-N 3.31Å; Q205-R208 VanDerWaalsContact O-N 3.15Å; A206-R208 VanDerWaalsContact C-N 3.35Å; R208-R210 PolarHBondContact O-N 2.88Å; R208-D249 IonicContact CZ-OD2 3.55Å; R208-D249 IonicContact NE-OD2 3.4Å; R208-D249 IonicContact NH2-OD2 3.17Å; R208-D249 PolarHBondContact NH2-OD2 2.84Å; R208-V251 HydrophobicContact CG-CG2 4.36Å
209D91.4Very high92.5Very high101 Ų10158.8 Ų58.854%0.5428%0.277SS..THydrogen-bonded Turntrans-74.95172.7-67.6-10.2000113.8Q205 A206 L207 K211Q205-D209 PolarHBondContact O-N 3.47Å; A206-D209 CarbonylContact O-C 3.4Å; A206-D209 WeakPolarHBondContact O-CA 3.48Å; A206-D209 WeakPolarHBondContact O-CB 3.38Å; A206-D209 PolarHBondContact O-N 2.92Å; L207-D209 VanDerWaalsContact C-N 3.3Å; D209-K211 VanDerWaalsContact C-N 3.27Å; D209-K211 HydrophobicContact CB-CD 4.23Å; D209-K211 HydrophobicContact CB-CG 4.28Å; D209-K211 PolarHBondContact O-N 3.16Å; D209-K211 IonicContact OD2-NZ 2.71Å
210R88.1Confident92.5Very high232 Ų23260.7 Ų60.788%0.87529%0.286SS*.THydrogen-bonded Turntrans58.632.6-177.1-52.8-179.4-179.4-175.7-0.3114.1A206 L207 R208A206-R210 PolarHBondContact O-N 3.17Å; L207-R210 PolarHBondContact O-N 3.28Å; L207-R210 VanDerWaalsContact O-N 3.11Å; R208-R210 PolarHBondContact O-N 2.88Å
211K87.6Confident92.5Very high123 Ų12360.7 Ų60.754%0.53529%0.286SS..  trans-96.7133.6172.3-63171.5-175.3157.30109.6A206 D209A206-K211 HydrophobicContact CB-CB 4.25Å; A206-K211 WeakPolarHBondContact O-CB 3.35Å; A206-K211 PolarHBondContact O-N 3.47Å; D209-K211 VanDerWaalsContact C-N 3.27Å; D209-K211 HydrophobicContact CB-CD 4.23Å; D209-K211 HydrophobicContact CB-CG 4.28Å; D209-K211 PolarHBondContact O-N 3.16Å; D209-K211 IonicContact OD2-NZ 2.71Å
212D85.3Confident92.5Very high154 Ų15456.1 Ų56.182%0.82427%0.265SS*.  trans-70.8137.8175.5-70-26.4000110.9
213C89.1Confident92.6Very high35 Ų3551.9 Ų51.924%0.23625%0.249CC..  trans-139.3145.9179.5-71.40000110.3C145 T203 A206C145-C213 WeakPolarHBondContact O-CA 3.33Å; T203-C213 HydrophobicContact CG2-CB 3.86Å; A206-C213 VanDerWaalsContact CB-SG 3.57Å
214S90.3Very high92.7Very high48 Ų4853.3 Ų53.334%0.33625%0.254SS..  trans-113.5123.6177.9-172.90000111.8C145 T216C145-S214 VanDerWaalsContact CA-O 3.31Å; C145-S214 WeakPolarHBondContact CA-O 3.29Å; C145-S214 PolarHBondContact O-N 3.4Å; C145-S214 PolarHBondContact SG-O 3.41Å; C145-S214 VanDerWaalsContact SG-O 3.41Å; S214-T216 PolarHBondContact OG-OG1 3.2Å
215L92.6Very high92.9Very high9 Ų953.3 Ų53.35%0.04725%0.254CS..  trans-925.4-180-69.8171.6000113.9L200 T203 F217 V218 A219 V255 K258 L259L200-L215 HydrophobicContact CD2-CD2 3.8Å; T203-L215 HydrophobicContact CG2-CD2 3.96Å; T203-L215 HydrophobicContact CG2-CG 4.31Å; L215-F217 PolarHBondContact O-N 3.34Å; L215-V218 PolarHBondContact O-N 2.97Å; L215-A219 WeakPolarHBondContact O-CB 3.5Å; L215-A219 PolarHBondContact O-N 3.12Å; L215-V255 HydrophobicContact CD1-CG1 3.95Å; L215-V255 WeakPolarHBondContact CD1-O 3.39Å; L215-K258 HydrophobicContact CD1-CB 4.11Å; L215-L259 HydrophobicContact CD1-CB 4.37Å
216T92.8Very high93Very high47 Ų4749.2 Ų49.229%0.28824%0.236SC..Hα-helixtrans-60.3-43.1-171.89.10000112.9S214 A219 Q220 N262S214-T216 PolarHBondContact OG-OG1 3.2Å; T216-A219 PolarHBondContact O-N 2.85Å; T216-Q220 WeakPolarHBondContact O-CB 3.37Å; T216-Q220 WeakPolarHBondContact O-CG 3.16Å; T216-Q220 PolarHBondContact O-N 3.43Å; T216-N262 HydrophobicContact CG2-CB 4.16Å
217F92.8Very high93.2Very high6 Ų652 Ų523%0.02625%0.252CS..Hα-helixtrans-68.7-40.2-178.6-169.8-105.9000112.2L140 L141 R144 R157 L160 L161 L215 Q220 A221L140-F217 HydrophobicContact CD2-CE1 3.62Å; L140-F217 HydrophobicContact CD2-CZ 4.18Å; L141-F217 HydrophobicContact CD2-CD1 3.9Å; L141-F217 HydrophobicContact CD2-CE1 3.87Å; R144-F217 HydrophobicContact CB-CB 3.95Å; R144-F217 HydrophobicContact CB-CD1 3.93Å; R144-F217 HydrophobicContact CB-CG 4Å; R144-F217 HydrophobicContact CG-CD1 3.93Å; R144-F217 HydrophobicContact CG-CE1 4.25Å; R144-F217 HydrophobicContact CG-CG 4.18Å; R157-F217 HydrophobicContact CG-CD2 3.73Å; R157-F217 HydrophobicContact CG-CE2 3.82Å; L160-F217 HydrophobicContact CB-CZ 4.46Å; L161-F217 HydrophobicContact CB-CE2 4.28Å; L215-F217 PolarHBondContact O-N 3.34Å; F217-Q220 PolarHBondContact O-N 2.99Å; F217-A221 WeakPolarHBondContact O-CB 3.28Å; F217-A221 PolarHBondContact O-N 3.33Å
218V95.6Very high93.4Very high1 Ų152.6 Ų52.61%0.00625%0.253CS..Hα-helixtrans-64.5-44.2175.9-176.30000110.6M196 V199 L215 Q220 A221 L222 L259M196-V218 HydrophobicContact CB-CG1 4.37Å; M196-V218 HydrophobicContact CG-CG1 4.12Å; V199-V218 HydrophobicContact CG1-CG2 3.77Å; L215-V218 PolarHBondContact O-N 2.97Å; V218-Q220 VanDerWaalsContact C-N 3.31Å; V218-Q220 PolarHBondContact O-N 3.42Å; V218-A221 PolarHBondContact O-N 3.41Å; V218-L222 WeakPolarHBondContact O-CB 3.22Å; V218-L222 PolarHBondContact O-N 3.22Å; V218-L259 HydrophobicContact CB-CD1 4.22Å; V218-L259 HydrophobicContact CG1-CD1 3.9Å
219A96.3Very high93.4Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-61.4-39.4175.600000112.3L215 T216 G223 L259 N262 V263L215-A219 WeakPolarHBondContact O-CB 3.5Å; L215-A219 PolarHBondContact O-N 3.12Å; T216-A219 PolarHBondContact O-N 2.85Å; A219-G223 PolarHBondContact O-N 3.15Å; A219-L259 HydrophobicContact CB-CD1 3.97Å; A219-L259 VanDerWaalsContact CB-O 3.24Å; A219-L259 WeakPolarHBondContact CB-O 3.3Å; A219-N262 HydrophobicContact CB-CB 3.64Å; A219-V263 HydrophobicContact CB-CG2 4.04Å
220Q95.5Very high93.6Very high41 Ų4145.8 Ų45.819%0.19224%0.239CC..Hα-helixtrans-66.4-41.9175.6-76173.5-5.400112.1L161 T216 F217 V218 G223 K224 P264 W267L161-Q220 HydrophobicContact CD1-CB 4.08Å; L161-Q220 HydrophobicContact CD2-CB 3.88Å; T216-Q220 WeakPolarHBondContact O-CB 3.37Å; T216-Q220 WeakPolarHBondContact O-CG 3.16Å; T216-Q220 PolarHBondContact O-N 3.43Å; F217-Q220 PolarHBondContact O-N 2.99Å; V218-Q220 VanDerWaalsContact C-N 3.31Å; V218-Q220 PolarHBondContact O-N 3.42Å; Q220-G223 PolarHBondContact O-N 2.88Å; Q220-K224 VanDerWaalsContact O-CB 3.3Å; Q220-K224 WeakPolarHBondContact O-CB 3.4Å; Q220-K224 PolarHBondContact O-N 3.37Å; Q220-P264 HydrophobicContact CG-CG 3.98Å; Q220-W267 HydrophobicContact CB-CZ3 3.94Å; Q220-W267 HydrophobicContact CG-CZ3 4.09Å; Q220-W267 WeakPolarHBondContact O-CZ3 3.4Å
221A96.1Very high94Very high0 Ų035.9 Ų35.90%021%0.206CC..Hα-helixtrans-63.9-45.4176.300000111.6L141 L161 L164 M196 F217 V218 K224 A225L141-A221 HydrophobicContact CD2-CB 4.48Å; L161-A221 VanDerWaalsContact CD1-CA 3.43Å; L161-A221 HydrophobicContact CD1-CB 3.85Å; L164-A221 HydrophobicContact CD2-CB 4.4Å; M196-A221 HydrophobicContact CE-CB 3.53Å; F217-A221 WeakPolarHBondContact O-CB 3.28Å; F217-A221 PolarHBondContact O-N 3.33Å; V218-A221 PolarHBondContact O-N 3.41Å; A221-K224 PolarHBondContact O-N 3.03Å; A221-A225 WeakPolarHBondContact O-CB 3.26Å; A221-A225 PolarHBondContact O-N 3.36Å
222L97.6Very high94.4Very high2 Ų233.6 Ų33.61%0.0121%0.21CC..Hα-helixtrans-58.1-51.1173.417561.4000111.4M196 V218 K224 A225 C226 V234 F235 L238 L259 V271M196-L222 HydrophobicContact CE-CB 4.31Å; M196-L222 HydrophobicContact SD-CB 4.27Å; V218-L222 WeakPolarHBondContact O-CB 3.22Å; V218-L222 PolarHBondContact O-N 3.22Å; L222-K224 PolarHBondContact O-N 2.71Å; L222-A225 PolarHBondContact O-N 2.97Å; L222-C226 PolarHBondContact O-N 2.95Å; L222-C226 PolarHBondContact O-SG 2.98Å; L222-V234 HydrophobicContact CD1-CG1 3.54Å; L222-F235 HydrophobicContact CD1-CE2 4.3Å; L222-F235 HydrophobicContact CD1-CZ 4.1Å; L222-F235 HydrophobicContact CD2-CZ 4.38Å; L222-L238 HydrophobicContact CD1-CD1 3.64Å; L222-L259 HydrophobicContact CD2-CD2 4.04Å; L222-L259 HydrophobicContact CD2-CG 4.3Å; L222-V271 HydrophobicContact CD2-CG1 4.3Å
223G96.9Very high95Very high0 Ų029 Ų290%019%0.185CC..Hα-helixtrans-61.1-44.2-178.800000113A219 Q220 C226 V227A219-G223 PolarHBondContact O-N 3.15Å; Q220-G223 PolarHBondContact O-N 2.88Å; G223-C226 PolarHBondContact O-N 3.1Å; G223-V227 WeakPolarHBondContact O-CG2 3.34Å; G223-V227 PolarHBondContact O-N 3.39Å
224K95.8Very high95.4Very high31 Ų3127.3 Ų27.314%0.13517%0.174CC..Hα-helixtrans-68.6-39.2179.9-168.8171.1-168.3160.20112.4L161 S162 V165 Q220 A221 L222 C226 V227 Q228 W267L161-K224 HydrophobicContact CD2-CD 3.92Å; L161-K224 HydrophobicContact CG-CD 3.72Å; S162-K224 VanDerWaalsContact CA-NZ 3.35Å; S162-K224 PolarHBondContact OG-NZ 3.09Å; V165-K224 HydrophobicContact CB-CG 4.39Å; V165-K224 HydrophobicContact CG1-CG 4.49Å; V165-K224 HydrophobicContact CG2-CB 4.15Å; V165-K224 HydrophobicContact CG2-CD 4.33Å; V165-K224 HydrophobicContact CG2-CG 4.27Å; Q220-K224 VanDerWaalsContact O-CB 3.3Å; Q220-K224 WeakPolarHBondContact O-CB 3.4Å; Q220-K224 PolarHBondContact O-N 3.37Å; A221-K224 PolarHBondContact O-N 3.03Å; L222-K224 PolarHBondContact O-N 2.71Å; K224-C226 VanDerWaalsContact C-N 3.32Å; K224-C226 PolarHBondContact O-N 3.43Å; K224-V227 PolarHBondContact O-N 3.32Å; K224-Q228 PolarHBondContact O-N 3.13Å; K224-Q228 VanDerWaalsContact O-N 3.11Å; K224-W267 HydrophobicContact CB-CE3 4.37Å; K224-W267 HydrophobicContact CB-CH2 4.19Å; K224-W267 HydrophobicContact CB-CZ2 4.41Å; K224-W267 HydrophobicContact CB-CZ3 4.15Å; K224-W267 HydrophobicContact CD-CH2 4.43Å
225A96.8Very high95.7Very high0 Ų025.1 Ų25.10%016%0.158CC..Hα-helixtrans-60.4-41.4173.100000112V165 Y189 A221 L222 Q228 H230 V234V165-A225 VanDerWaalsContact CG1-CA 3.44Å; V165-A225 HydrophobicContact CG1-CB 3.81Å; Y189-A225 HydrophobicContact CD1-CB 4.28Å; Y189-A225 HydrophobicContact CE1-CB 4.18Å; A221-A225 WeakPolarHBondContact O-CB 3.26Å; A221-A225 PolarHBondContact O-N 3.36Å; L222-A225 PolarHBondContact O-N 2.97Å; A225-Q228 PolarHBondContact O-N 2.89Å; A225-H230 PolarHBondContact O-N 3.41Å; A225-H230 VanDerWaalsContact O-N 3.17Å; A225-V234 HydrophobicContact CB-CG2 4.09Å
226C97Very high95.9Very high4 Ų427 Ų273%0.02718%0.18CC..Iπ-helixtrans-66.5-40.6177.8-65.40000112.5L222 G223 K224 Q228 G229 V271L222-C226 PolarHBondContact O-N 2.95Å; L222-C226 PolarHBondContact O-SG 2.98Å; G223-C226 PolarHBondContact O-N 3.1Å; K224-C226 VanDerWaalsContact C-N 3.32Å; K224-C226 PolarHBondContact O-N 3.43Å; C226-Q228 VanDerWaalsContact C-N 3.31Å; C226-Q228 PolarHBondContact O-N 3.33Å; C226-G229 PolarHBondContact O-N 3.24Å; C226-G229 VanDerWaalsContact O-N 3.07Å; C226-V271 HydrophobicContact CB-CG2 3.96Å
227V95.8Very high96.1Very high66 Ų6625.8 Ų25.840%0.417%0.172SC..Iπ-helixtrans-70.6-27.5-179.4169.90000112.8G223 K224 G229 W267 S270G223-V227 WeakPolarHBondContact O-CG2 3.34Å; G223-V227 PolarHBondContact O-N 3.39Å; K224-V227 PolarHBondContact O-N 3.32Å; V227-G229 PolarHBondContact O-N 3.33Å; V227-W267 HydrophobicContact CG2-CB 3.61Å; V227-W267 HydrophobicContact CG2-CG 3.73Å; V227-S270 WeakPolarHBondContact CG2-OG 3.38Å
228Q94.2Very high96.3Very high72 Ų7225.6 Ų25.634%0.33617%0.172SC..Iπ-helixtrans-75.32.8170.9-72.1-178.1-22.300113.5K224 A225 C226K224-Q228 PolarHBondContact O-N 3.13Å; K224-Q228 VanDerWaalsContact O-N 3.11Å; A225-Q228 PolarHBondContact O-N 2.89Å; C226-Q228 VanDerWaalsContact C-N 3.31Å; C226-Q228 PolarHBondContact O-N 3.33Å
229G93.9Very high96.3Very high59 Ų5925.7 Ų25.761%0.60817%0.172SC*.Iπ-helixtrans93.88.7174.700000114.7C226 V227C226-G229 PolarHBondContact O-N 3.24Å; C226-G229 VanDerWaalsContact O-N 3.07Å; V227-G229 PolarHBondContact O-N 3.33Å
230H96Very high96.3Very high31 Ų3129.1 Ų29.114%0.14419%0.194CC..Iπ-helixtrans-100.620.1-176.7-54.3-66.7000113.8Y189 A225 A232 L233 V234Y189-H230 HydrophobicContact CD1-CB 3.98Å; Y189-H230 HydrophobicContact CD2-CB 3.71Å; Y189-H230 AromaticContact CD2-CG 3.52Å; Y189-H230 AromaticContact CD2-ND1 3.69Å; Y189-H230 HydrophobicContact CE1-CB 4.06Å; Y189-H230 AromaticContact CE1-CD2 3.8Å; Y189-H230 HydrophobicContact CE2-CB 3.81Å; Y189-H230 AromaticContact CE2-CD2 3.19Å; Y189-H230 WeakPolarHBondContact CE2-CD2 3.42Å; Y189-H230 AromaticContact CE2-CE1 3.46Å; Y189-H230 VanDerWaalsContact CE2-CE1 3.46Å; Y189-H230 WeakPolarHBondContact CE2-CE1 3.48Å; Y189-H230 AromaticContact CE2-CG 3.16Å; Y189-H230 AromaticContact CE2-ND1 3.36Å; Y189-H230 WeakPolarHBondContact CE2-ND1 3.33Å; Y189-H230 AromaticContact CE2-NE2 3.34Å; Y189-H230 VanDerWaalsContact CE2-NE2 3.34Å; Y189-H230 WeakPolarHBondContact CE2-NE2 3.43Å; Y189-H230 HydrophobicContact CG-CB 3.81Å; Y189-H230 AromaticContact CZ-CD2 3.04Å; Y189-H230 AromaticContact CZ-CG 3.44Å; Y189-H230 VanDerWaalsContact CZ-CG 3.44Å; Y189-H230 AromaticContact CZ-NE2 3.46Å; Y189-H230 PolarHBondContact OH-CD2 2.91Å; Y189-H230 PolarHBondContact OH-NE2 3.42Å; Y189-H230 VanDerWaalsContact OH-NE2 3.1Å; A225-H230 PolarHBondContact O-N 3.41Å; A225-H230 VanDerWaalsContact O-N 3.17Å; H230-A232 VanDerWaalsContact C-N 3.32Å; H230-A232 PolarHBondContact O-N 2.95Å; H230-L233 PolarHBondContact O-N 2.91Å; H230-V234 WeakPolarHBondContact O-CG2 3.35Å; H230-V234 PolarHBondContact O-N 3.26Å; H230-V234 VanDerWaalsContact O-N 3.12Å
231S95.8Very high96.2Very high24 Ų2431.9 Ų31.917%0.16821%0.207CC..Hα-helixtrans-59.8-39.4-177.5630000112.8V234 F235S231-V234 PolarHBondContact O-N 3.42Å; S231-F235 WeakPolarHBondContact O-CB 3.41Å; S231-F235 WeakPolarHBondContact O-CD2 3.24Å; S231-F235 PolarHBondContact O-N 3.29Å
232A96.1Very high96.2Very high76 Ų7632.1 Ų32.163%0.62821%0.209SC*.Hα-helixtrans-63.6-42.2178.900000112.4H230 G236H230-A232 VanDerWaalsContact C-N 3.32Å; H230-A232 PolarHBondContact O-N 2.95Å; A232-G236 PolarHBondContact O-N 3.39Å
233L97.2Very high96Very high56 Ų5633 Ų3329%0.29322%0.215SC..Hα-helixtrans-68.4-40.9179.3-64.5173.7000111.9P185 Y189 H230P185-L233 HydrophobicContact CB-CD1 4.26Å; P185-L233 WeakPolarHBondContact O-CD1 3.14Å; Y189-L233 HydrophobicContact CD2-CD1 4.06Å; H230-L233 PolarHBondContact O-N 2.91Å
234V97.6Very high95.9Very high0 Ų036 Ų360%024%0.236CC..Hα-helixtrans-69.7-51179174.80000110.7Y189 A193 L222 A225 H230 S231 G236 V237 L238Y189-V234 HydrophobicContact CD1-CG2 4.2Å; Y189-V234 HydrophobicContact CG-CG2 4.47Å; A193-V234 HydrophobicContact CB-CG1 4.18Å; L222-V234 HydrophobicContact CD1-CG1 3.54Å; A225-V234 HydrophobicContact CB-CG2 4.09Å; H230-V234 WeakPolarHBondContact O-CG2 3.35Å; H230-V234 PolarHBondContact O-N 3.26Å; H230-V234 VanDerWaalsContact O-N 3.12Å; S231-V234 PolarHBondContact O-N 3.42Å; V234-G236 VanDerWaalsContact C-N 3.34Å; V234-G236 PolarHBondContact O-N 3.06Å; V234-V237 PolarHBondContact O-N 2.99Å; V234-L238 HydrophobicContact CG1-CD1 3.56Å; V234-L238 HydrophobicContact CG1-CG 4.05Å; V234-L238 WeakPolarHBondContact O-CG 3.04Å; V234-L238 PolarHBondContact O-N 2.84Å
235F97.6Very high95.8Very high2 Ų236.1 Ų36.11%0.00924%0.24CC..Hα-helixtrans-74.5-21.3-178.2-78.7-70.2000114.3L222 S231 V237 L238 A239 V271 M275 A278L222-F235 HydrophobicContact CD1-CE2 4.3Å; L222-F235 HydrophobicContact CD1-CZ 4.1Å; L222-F235 HydrophobicContact CD2-CZ 4.38Å; S231-F235 WeakPolarHBondContact O-CB 3.41Å; S231-F235 WeakPolarHBondContact O-CD2 3.24Å; S231-F235 PolarHBondContact O-N 3.29Å; F235-V237 PolarHBondContact O-N 3.43Å; F235-L238 HydrophobicContact CD1-CB 4.08Å; F235-L238 HydrophobicContact CE1-CD1 4.42Å; F235-L238 PolarHBondContact O-N 2.91Å; F235-A239 VanDerWaalsContact O-CB 3.24Å; F235-A239 WeakPolarHBondContact O-CB 3.3Å; F235-A239 PolarHBondContact O-N 3.46Å; F235-V271 HydrophobicContact CE2-CG1 4.17Å; F235-V271 VanDerWaalsContact CE2-O 3.32Å; F235-V271 WeakPolarHBondContact CE2-O 3.4Å; F235-V271 HydrophobicContact CZ-CG1 3.76Å; F235-M275 HydrophobicContact CD1-CB 4.08Å; F235-M275 HydrophobicContact CD1-CG 4.34Å; F235-M275 HydrophobicContact CE1-CB 3.7Å; F235-M275 HydrophobicContact CE1-CG 3.94Å; F235-M275 HydrophobicContact CE1-SD 4.29Å; F235-M275 HydrophobicContact CE2-CB 4.16Å; F235-M275 HydrophobicContact CG-CB 4.48Å; F235-M275 HydrophobicContact CZ-CB 3.73Å; F235-M275 HydrophobicContact CZ-CG 4.4Å; F235-A278 HydrophobicContact CB-CB 3.57Å
236G96Very high95.7Very high49 Ų4936.1 Ų36.151%0.50524%0.24SC..Hα-helixtrans-58-26.316900000113A232 V234A232-G236 PolarHBondContact O-N 3.39Å; V234-G236 VanDerWaalsContact C-N 3.34Å; V234-G236 PolarHBondContact O-N 3.06Å
237V97.1Very high95.5Very high22 Ų2241.3 Ų41.313%0.13327%0.267CS..Hα-helixtrans-97.4-45.2172.1-1800000111.7P190 A193 R194 L197 V234 F235 H241P190-V237 HydrophobicContact CB-CG2 3.79Å; A193-V237 HydrophobicContact CB-CB 3.79Å; A193-V237 HydrophobicContact CB-CG1 4.04Å; A193-V237 HydrophobicContact CB-CG2 4.4Å; R194-V237 HydrophobicContact CG-CG1 3.82Å; L197-V237 HydrophobicContact CD1-CG1 3.97Å; V234-V237 PolarHBondContact O-N 2.99Å; F235-V237 PolarHBondContact O-N 3.43Å; V237-H241 PolarHBondContact O-CD2 3.11Å
238L97.3Very high95Very high2 Ų243.7 Ų43.71%0.0129%0.286CS..Hα-helixtrans-67.1-48.1-175.2-65.8-175.8000112.7A193 M196 L197 L222 V234 F235 H241 L242A193-L238 HydrophobicContact CB-CD2 4.08Å; A193-L238 HydrophobicContact CB-CG 4.07Å; A193-L238 WeakPolarHBondContact O-CD2 3.01Å; M196-L238 HydrophobicContact CB-CD2 4.39Å; L197-L238 HydrophobicContact CD1-CD2 4.15Å; L197-L238 HydrophobicContact CD2-CD2 3.64Å; L197-L238 HydrophobicContact CG-CD2 3.51Å; L222-L238 HydrophobicContact CD1-CD1 3.64Å; V234-L238 HydrophobicContact CG1-CD1 3.56Å; V234-L238 HydrophobicContact CG1-CG 4.05Å; V234-L238 WeakPolarHBondContact O-CG 3.04Å; V234-L238 PolarHBondContact O-N 2.84Å; F235-L238 HydrophobicContact CD1-CB 4.08Å; F235-L238 HydrophobicContact CE1-CD1 4.42Å; F235-L238 PolarHBondContact O-N 2.91Å; L238-H241 PolarHBondContact O-N 3.26Å; L238-L242 HydrophobicContact CB-CD1 4.3Å; L238-L242 WeakPolarHBondContact O-CB 3.46Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.17Å; L238-L242 PolarHBondContact O-N 3.03Å
239A95.8Very high94.9Very high2 Ų241.7 Ų41.72%0.01728%0.278CS..Hα-helixtrans-62.6-43.5-16800000114F235 S243 A278 V279F235-A239 VanDerWaalsContact O-CB 3.24Å; F235-A239 WeakPolarHBondContact O-CB 3.3Å; F235-A239 PolarHBondContact O-N 3.46Å; A239-S243 VanDerWaalsContact O-CB 3.27Å; A239-S243 WeakPolarHBondContact O-CB 3.29Å; A239-S243 PolarHBondContact O-N 2.94Å; A239-S243 PolarHBondContact O-OG 2.89Å; A239-A278 HydrophobicContact CB-CB 3.59Å; A239-V279 HydrophobicContact CB-CG2 4.05Å
240P95.4Very high94.9Very high72 Ų7244.7 Ų44.747%0.46828%0.278SS..Hα-helixtrans-61.8-45176.5-23.834.7000112.8S243 S244P240-S243 PolarHBondContact O-N 3.31Å; P240-S244 PolarHBondContact O-N 2.61Å; P240-S244 VanDerWaalsContact O-N 3.13Å; P240-S244 PolarHBondContact O-OG 3.32Å
241H94.6Very high94.8Very high99 Ų9945.2 Ų45.246%0.45828%0.283SS..Hα-helixtrans-67.4-43.8179.1-80-68.2000112.6L197 V237 L238 S243 S244 C245L197-H241 HydrophobicContact CD1-CB 3.69Å; L197-H241 VanDerWaalsContact CD1-CD2 3.44Å; L197-H241 WeakPolarHBondContact CD1-CD2 3.4Å; L197-H241 HydrophobicContact CD2-CB 3.9Å; L197-H241 HydrophobicContact CG-CB 4.46Å; V237-H241 PolarHBondContact O-CD2 3.11Å; L238-H241 PolarHBondContact O-N 3.26Å; H241-S243 VanDerWaalsContact C-N 3.28Å; H241-S243 PolarHBondContact O-N 3.42Å; H241-S244 PolarHBondContact O-N 2.97Å; H241-S244 PolarHBondContact O-OG 2.93Å; H241-C245 WeakPolarHBondContact O-CB 3.39Å; H241-C245 PolarHBondContact O-N 3.14Å; H241-C245 PolarHBondContact O-SG 2.94Å
242L95.4Very high94.8Very high6 Ų645 Ų453%0.03128%0.279CS..Hα-helixtrans-64.6-36.3176.3-64.2-177.7000111.3L197 L200 L238 S244 T246 W252 I288L197-L242 HydrophobicContact CD2-CD2 3.92Å; L197-L242 HydrophobicContact CD2-CG 4.31Å; L200-L242 HydrophobicContact CD1-CD2 4.08Å; L238-L242 HydrophobicContact CB-CD1 4.3Å; L238-L242 WeakPolarHBondContact O-CB 3.46Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.17Å; L238-L242 PolarHBondContact O-N 3.03Å; L242-S244 VanDerWaalsContact C-N 3.34Å; L242-S244 PolarHBondContact O-N 3.22Å; L242-T246 VanDerWaalsContact O-CB 3.29Å; L242-T246 WeakPolarHBondContact O-CB 3.49Å; L242-T246 WeakPolarHBondContact O-CG2 3.1Å; L242-T246 PolarHBondContact O-N 2.88Å; L242-T246 PolarHBondContact O-OG1 3.39Å; L242-W252 HydrophobicContact CD2-CE3 4.38Å; L242-W252 HydrophobicContact CD2-CZ3 4.05Å; L242-I288 HydrophobicContact CB-CD1 3.85Å; L242-I288 HydrophobicContact CB-CG1 4.11Å; L242-I288 HydrophobicContact CD1-CG2 4.41Å
243S94.7Very high94.8Very high21 Ų2142.5 Ų42.515%0.14725%0.254CS..Hα-helixtrans-63.9-38.8177.4-61.70000112.3A239 P240 H241 T246 L247A239-S243 VanDerWaalsContact O-CB 3.27Å; A239-S243 WeakPolarHBondContact O-CB 3.29Å; A239-S243 PolarHBondContact O-N 2.94Å; A239-S243 PolarHBondContact O-OG 2.89Å; P240-S243 PolarHBondContact O-N 3.31Å; H241-S243 VanDerWaalsContact C-N 3.28Å; H241-S243 PolarHBondContact O-N 3.42Å; S243-T246 PolarHBondContact O-OG1 3.43Å; S243-L247 WeakPolarHBondContact O-CG 3.29Å
244S94.4Very high94.7Very high62 Ų6247.5 Ų47.543%0.43427%0.269SS..Hα-helixtrans-76.6-45.2178.264.80000112.6P240 H241 L242 T246 L247P240-S244 PolarHBondContact O-N 2.61Å; P240-S244 VanDerWaalsContact O-N 3.13Å; P240-S244 PolarHBondContact O-OG 3.32Å; H241-S244 PolarHBondContact O-N 2.97Å; H241-S244 PolarHBondContact O-OG 2.93Å; L242-S244 VanDerWaalsContact C-N 3.34Å; L242-S244 PolarHBondContact O-N 3.22Å; S244-T246 VanDerWaalsContact C-N 3.34Å; S244-T246 PolarHBondContact O-N 3.25Å; S244-L247 WeakPolarHBondContact O-CB 3.25Å; S244-L247 PolarHBondContact O-N 2.61Å
245C93.4Very high94.6Very high34 Ų3447.6 Ų47.623%0.2327%0.269CS..Hα-helixtrans-67.1-33.1-178.7-66.10000113.2H241 L247 W252H241-C245 WeakPolarHBondContact O-CB 3.39Å; H241-C245 PolarHBondContact O-N 3.14Å; H241-C245 PolarHBondContact O-SG 2.94Å; C245-L247 VanDerWaalsContact C-N 3.32Å; C245-L247 PolarHBondContact O-N 3.29Å; C245-W252 HydrophobicContact CB-CB 4.38Å; C245-W252 HydrophobicContact CB-CD2 3.68Å; C245-W252 HydrophobicContact CB-CE3 4.14Å; C245-W252 HydrophobicContact CB-CG 3.79Å; C245-W252 HydrophobicContact CB-CZ2 4.39Å
246T94.8Very high94.5Very high0 Ų047.6 Ų47.60%027%0.269CS..Hα-helixtrans-77.7-14.3-179.857.20000114.1L242 S243 S244 W252 Q253 R287 I288L242-T246 VanDerWaalsContact O-CB 3.29Å; L242-T246 WeakPolarHBondContact O-CB 3.49Å; L242-T246 WeakPolarHBondContact O-CG2 3.1Å; L242-T246 PolarHBondContact O-N 2.88Å; L242-T246 PolarHBondContact O-OG1 3.39Å; S243-T246 PolarHBondContact O-OG1 3.43Å; S244-T246 VanDerWaalsContact C-N 3.34Å; S244-T246 PolarHBondContact O-N 3.25Å; T246-W252 HydrophobicContact CG2-CB 4.23Å; T246-Q253 HydrophobicContact CG2-CG 4.07Å; T246-Q253 PolarHBondContact O-NE2 3.12Å; T246-R287 WeakPolarHBondContact O-CD 3.36Å; T246-I288 HydrophobicContact CG2-CG1 4.25Å
247L92Very high94.5Very high113 Ų11348.8 Ų48.859%0.59226%0.259SS*.Hα-helixtrans-64.8-43.4178.4-84.2164.3000112.3S243 S244 C245S243-L247 WeakPolarHBondContact O-CG 3.29Å; S244-L247 WeakPolarHBondContact O-CB 3.25Å; S244-L247 PolarHBondContact O-N 2.61Å; C245-L247 VanDerWaalsContact C-N 3.32Å; C245-L247 PolarHBondContact O-N 3.29Å
248S85.7Confident94.4Very high115 Ų11552.3 Ų52.380%0.80427%0.272SS*.Hα-helixtrans-103.1-15.3-172.554.50000114
249D92.2Very high94.4Very high31 Ų3152.5 Ų52.517%0.16627%0.273CS..  trans-131.3118.3-170.3-170.7-6000114R208 V251 W252 Q253R208-D249 IonicContact CZ-OD2 3.55Å; R208-D249 IonicContact NE-OD2 3.4Å; R208-D249 IonicContact NH2-OD2 3.17Å; R208-D249 PolarHBondContact NH2-OD2 2.84Å; D249-V251 VanDerWaalsContact C-N 3.33Å; D249-V251 PolarHBondContact O-N 3.38Å; D249-V251 WeakPolarHBondContact OD1-CA 3.5Å; D249-V251 VanDerWaalsContact OD1-CB 3.3Å; D249-V251 WeakPolarHBondContact OD1-CB 3.37Å; D249-V251 PolarHBondContact OD1-N 3.22Å; D249-W252 HydrophobicContact CB-CB 4.17Å; D249-W252 HydrophobicContact CB-CG 4.36Å; D249-W252 WeakPolarHBondContact O-CB 3.49Å; D249-W252 PolarHBondContact O-N 3.44Å; D249-W252 VanDerWaalsContact OD2-CD1 3.23Å; D249-Q253 PolarHBondContact O-N 3.5Å
250M92.9Very high94.5Very high122 Ų12252.7 Ų52.760%0.60127%0.274SS*.Hα-helixtrans-69.5-26.9176.5-64.2-56.4-60.700113.3W252 Q253 R254M250-W252 VanDerWaalsContact C-N 3.33Å; M250-Q253 PolarHBondContact O-N 3.47Å; M250-R254 PolarHBondContact O-N 2.88Å
251V94.7Very high94.5Very high41 Ų4151.6 Ų51.625%0.24826%0.262CS..Hα-helixtrans-65-43.4174-177.70000109.3C204 L207 R208 D249 Q253 R254 V255C204-V251 HydrophobicContact CB-CG1 4.03Å; L207-V251 HydrophobicContact CB-CG1 4.35Å; L207-V251 HydrophobicContact CD1-CG1 4.48Å; R208-V251 HydrophobicContact CG-CG2 4.36Å; D249-V251 VanDerWaalsContact C-N 3.33Å; D249-V251 PolarHBondContact O-N 3.38Å; D249-V251 WeakPolarHBondContact OD1-CA 3.5Å; D249-V251 VanDerWaalsContact OD1-CB 3.3Å; D249-V251 WeakPolarHBondContact OD1-CB 3.37Å; D249-V251 PolarHBondContact OD1-N 3.22Å; V251-Q253 PolarHBondContact O-N 2.95Å; V251-R254 PolarHBondContact O-N 3.42Å; V251-V255 HydrophobicContact CG1-CG2 4.43Å; V251-V255 WeakPolarHBondContact O-CB 3.36Å; V251-V255 WeakPolarHBondContact O-CG2 3.4Å; V251-V255 PolarHBondContact O-N 2.9Å
252W95.9Very high94.5Very high21 Ų2149.4 Ų49.48%0.0825%0.254CS..Hα-helixtrans-60.2-43174.6-88.9109.1000112.2L200 E201 L242 C245 T246 D249 M250 V255 C256L200-W252 HydrophobicContact CB-CH2 3.86Å; L200-W252 HydrophobicContact CB-CZ3 3.59Å; L200-W252 HydrophobicContact CD1-CZ3 4.46Å; E201-W252 HydrophobicContact CB-CH2 3.92Å; E201-W252 HydrophobicContact CB-CZ2 3.71Å; E201-W252 HydrophobicContact CG-CZ2 4.03Å; L242-W252 HydrophobicContact CD2-CE3 4.38Å; L242-W252 HydrophobicContact CD2-CZ3 4.05Å; C245-W252 HydrophobicContact CB-CB 4.38Å; C245-W252 HydrophobicContact CB-CD2 3.68Å; C245-W252 HydrophobicContact CB-CE3 4.14Å; C245-W252 HydrophobicContact CB-CG 3.79Å; C245-W252 HydrophobicContact CB-CZ2 4.39Å; T246-W252 HydrophobicContact CG2-CB 4.23Å; D249-W252 HydrophobicContact CB-CB 4.17Å; D249-W252 HydrophobicContact CB-CG 4.36Å; D249-W252 WeakPolarHBondContact O-CB 3.49Å; D249-W252 PolarHBondContact O-N 3.44Å; D249-W252 VanDerWaalsContact OD2-CD1 3.23Å; M250-W252 VanDerWaalsContact C-N 3.33Å; W252-V255 PolarHBondContact O-N 3.24Å; W252-C256 PolarHBondContact O-N 2.66Å; W252-C256 PolarHBondContact O-SG 3.46Å
253Q95.8Very high94.5Very high22 Ų2249.3 Ų49.310%0.10325%0.254CS..Hα-helixtrans-59-50.1174.3-67.4-178.522.600111.4T246 D249 M250 V251 V255 C256 W257 R287T246-Q253 HydrophobicContact CG2-CG 4.07Å; T246-Q253 PolarHBondContact O-NE2 3.12Å; D249-Q253 PolarHBondContact O-N 3.5Å; M250-Q253 PolarHBondContact O-N 3.47Å; V251-Q253 PolarHBondContact O-N 2.95Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 2.71Å; Q253-C256 WeakPolarHBondContact O-CB 3.27Å; Q253-C256 PolarHBondContact O-N 3.21Å; Q253-C256 VanDerWaalsContact O-N 3.13Å; Q253-W257 HydrophobicContact CB-CH2 4.43Å; Q253-W257 HydrophobicContact CB-CZ2 3.82Å; Q253-W257 PolarHBondContact O-N 3.48Å; Q253-W257 PolarHBondContact O-NE1 3.2Å; Q253-R287 HydrophobicContact CG-CB 4.2Å
254R94.5Very high94.5Very high162 Ų16249.9 Ų49.961%0.61126%0.257SS*.Hα-helixtrans-60.2-39.4178.7-175.4177.3174.8-173.9-2.3112.4M250 V251 K258M250-R254 PolarHBondContact O-N 2.88Å; V251-R254 PolarHBondContact O-N 3.42Å; R254-K258 WeakPolarHBondContact O-CB 3.28Å; R254-K258 WeakPolarHBondContact O-CG 3.19Å; R254-K258 PolarHBondContact O-N 2.92Å
255V96.1Very high94.5Very high2 Ų252.7 Ų52.71%0.01226%0.263CS..Hα-helixtrans-65-43175.6164.10000110.9L200 T203 L207 L215 V251 W252 Q253 K258 L259L200-V255 HydrophobicContact CB-CG1 4.36Å; L200-V255 HydrophobicContact CD2-CG1 3.78Å; T203-V255 HydrophobicContact CG2-CG2 4.33Å; L207-V255 HydrophobicContact CD1-CG2 3.53Å; L215-V255 HydrophobicContact CD1-CG1 3.95Å; L215-V255 WeakPolarHBondContact CD1-O 3.39Å; V251-V255 HydrophobicContact CG1-CG2 4.43Å; V251-V255 WeakPolarHBondContact O-CB 3.36Å; V251-V255 WeakPolarHBondContact O-CG2 3.4Å; V251-V255 PolarHBondContact O-N 2.9Å; W252-V255 PolarHBondContact O-N 3.24Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 2.71Å; V255-K258 PolarHBondContact O-N 2.79Å; V255-L259 WeakPolarHBondContact O-CB 3.31Å; V255-L259 PolarHBondContact O-N 2.89Å
256C96.9Very high94.6Very high1 Ų158.5 Ų58.51%0.00728%0.281CS..Hα-helixtrans-62.6-45.2175.2-660000112.1W252 Q253 K258 L259 L260 I288W252-C256 PolarHBondContact O-N 2.66Å; W252-C256 PolarHBondContact O-SG 3.46Å; Q253-C256 WeakPolarHBondContact O-CB 3.27Å; Q253-C256 PolarHBondContact O-N 3.21Å; Q253-C256 VanDerWaalsContact O-N 3.13Å; C256-K258 VanDerWaalsContact C-N 3.33Å; C256-K258 PolarHBondContact O-N 3.31Å; C256-L259 WeakPolarHBondContact O-CB 3.46Å; C256-L259 PolarHBondContact O-N 2.94Å; C256-L260 WeakPolarHBondContact O-CG 3.31Å; C256-L260 PolarHBondContact O-N 3.33Å; C256-I288 HydrophobicContact CB-CG2 4.21Å; C256-I288 WeakPolarHBondContact CB-O 3.23Å
257W95.8Very high94.6Very high75 Ų7559.6 Ų59.628%0.28429%0.285SS..Hα-helixtrans-59-47176.5-55.5-16.2000110.7Q253 L259 L260 E261 R287 I288Q253-W257 HydrophobicContact CB-CH2 4.43Å; Q253-W257 HydrophobicContact CB-CZ2 3.82Å; Q253-W257 PolarHBondContact O-N 3.48Å; Q253-W257 PolarHBondContact O-NE1 3.2Å; W257-L259 PolarHBondContact O-N 3.29Å; W257-L260 PolarHBondContact O-N 2.86Å; W257-E261 WeakPolarHBondContact O-CB 3.34Å; W257-E261 VanDerWaalsContact O-CG 3.26Å; W257-E261 WeakPolarHBondContact O-CG 3.49Å; W257-E261 PolarHBondContact O-N 3.21Å; W257-R287 PolarHBondContact NE1-O 2.88Å; W257-I288 VanDerWaalsContact CD1-O 3.29Å
258K95.1Very high94.8Very high96 Ų9654.2 Ų54.242%0.41726%0.257SS..Hα-helixtrans-67.7-33178.8-75.2-70.3168.1-158.30113.4L215 R254 V255 C256 E261 N262L215-K258 HydrophobicContact CD1-CB 4.11Å; R254-K258 WeakPolarHBondContact O-CB 3.28Å; R254-K258 WeakPolarHBondContact O-CG 3.19Å; R254-K258 PolarHBondContact O-N 2.92Å; V255-K258 PolarHBondContact O-N 2.79Å; C256-K258 VanDerWaalsContact C-N 3.33Å; C256-K258 PolarHBondContact O-N 3.31Å; K258-E261 WeakPolarHBondContact CD-OE2 3.25Å; K258-E261 WeakPolarHBondContact CE-OE2 3.38Å; K258-E261 IonicContact NZ-OE2 2.66Å; K258-E261 PolarHBondContact NZ-OE2 2.81Å; K258-N262 WeakPolarHBondContact O-CB 3.29Å; K258-N262 PolarHBondContact O-N 3.39Å; K258-N262 VanDerWaalsContact O-N 3.15Å; K258-N262 PolarHBondContact O-ND2 3.34Å; K258-N262 VanDerWaalsContact O-ND2 3.16Å
259L96.6Very high95.3Very high6 Ų650.7 Ų50.73%0.03123%0.227CC..Hα-helixtrans-60.3-50.5172.9178.768.4000110.3L200 L215 V218 A219 L222 V255 C256 W257 N262 V263L200-L259 HydrophobicContact CD1-CD2 3.98Å; L200-L259 HydrophobicContact CD2-CD1 4.29Å; L200-L259 HydrophobicContact CD2-CD2 4.18Å; L215-L259 HydrophobicContact CD1-CB 4.37Å; V218-L259 HydrophobicContact CB-CD1 4.22Å; V218-L259 HydrophobicContact CG1-CD1 3.9Å; A219-L259 HydrophobicContact CB-CD1 3.97Å; A219-L259 VanDerWaalsContact CB-O 3.24Å; A219-L259 WeakPolarHBondContact CB-O 3.3Å; L222-L259 HydrophobicContact CD2-CD2 4.04Å; L222-L259 HydrophobicContact CD2-CG 4.3Å; V255-L259 WeakPolarHBondContact O-CB 3.31Å; V255-L259 PolarHBondContact O-N 2.89Å; C256-L259 WeakPolarHBondContact O-CB 3.46Å; C256-L259 PolarHBondContact O-N 2.94Å; W257-L259 PolarHBondContact O-N 3.29Å; L259-N262 PolarHBondContact O-N 3.07Å; L259-V263 PolarHBondContact O-N 3.4Å
260L96.8Very high95.6Very high5 Ų551 Ų513%0.02623%0.232CC..Hα-helixtrans-70.4-38.1-178.5-65.9172.3000112.9C256 W257 N262 V263 V271 M275 I288 M289 L292C256-L260 WeakPolarHBondContact O-CG 3.31Å; C256-L260 PolarHBondContact O-N 3.33Å; W257-L260 PolarHBondContact O-N 2.86Å; L260-N262 PolarHBondContact O-N 3.4Å; L260-V263 WeakPolarHBondContact O-CB 3.49Å; L260-V263 PolarHBondContact O-N 3.49Å; L260-V271 HydrophobicContact CD2-CG1 3.76Å; L260-M275 HydrophobicContact CD1-CE 3.8Å; L260-M275 HydrophobicContact CD1-SD 3.99Å; L260-M275 HydrophobicContact CD2-CE 4Å; L260-M275 HydrophobicContact CD2-SD 4.19Å; L260-I288 HydrophobicContact CD1-CG2 4.31Å; L260-M289 HydrophobicContact CD1-CB 4.32Å; L260-M289 HydrophobicContact CD1-CG 3.82Å; L260-L292 HydrophobicContact CB-CD2 3.91Å; L260-L292 HydrophobicContact CD1-CD2 4.43Å
261E95.6Very high95.8Very high49 Ų4945.1 Ų45.123%0.22920%0.203CC..Hα-helixtrans-60.8-31.2173.7-76.3175.7-177.600112.3W257 K258 L292 K295W257-E261 WeakPolarHBondContact O-CB 3.34Å; W257-E261 VanDerWaalsContact O-CG 3.26Å; W257-E261 WeakPolarHBondContact O-CG 3.49Å; W257-E261 PolarHBondContact O-N 3.21Å; K258-E261 WeakPolarHBondContact CD-OE2 3.25Å; K258-E261 WeakPolarHBondContact CE-OE2 3.38Å; K258-E261 IonicContact NZ-OE2 2.66Å; K258-E261 PolarHBondContact NZ-OE2 2.81Å; E261-L292 HydrophobicContact CG-CD1 3.88Å; E261-K295 VanDerWaalsContact OE1-CD 3.22Å; E261-K295 WeakPolarHBondContact OE1-CD 3.37Å; E261-K295 IonicContact OE1-NZ 3.1Å; E261-K295 PolarHBondContact OE1-NZ 3Å
262N95Very high95.9Very high53 Ų5343.2 Ų43.228%0.28319%0.191SC..THydrogen-bonded Turntrans-85.2-4.3179.5-74.4-21.4000113.9T216 A219 K258 L259 L260 P264T216-N262 HydrophobicContact CG2-CB 4.16Å; A219-N262 HydrophobicContact CB-CB 3.64Å; K258-N262 WeakPolarHBondContact O-CB 3.29Å; K258-N262 PolarHBondContact O-N 3.39Å; K258-N262 VanDerWaalsContact O-N 3.15Å; K258-N262 PolarHBondContact O-ND2 3.34Å; K258-N262 VanDerWaalsContact O-ND2 3.16Å; L259-N262 PolarHBondContact O-N 3.07Å; L260-N262 PolarHBondContact O-N 3.4Å; N262-P264 WeakPolarHBondContact O-CD 3.24Å
263V96.6Very high95.9Very high5 Ų543 Ų433%0.0319%0.192CC..SBendtrans-70.6126.2175176.30000108.8A219 L259 L260 E265 W267 L268 V271A219-V263 HydrophobicContact CB-CG2 4.04Å; L259-V263 PolarHBondContact O-N 3.4Å; L260-V263 WeakPolarHBondContact O-CB 3.49Å; L260-V263 PolarHBondContact O-N 3.49Å; V263-E265 PolarHBondContact O-N 2.94Å; V263-W267 HydrophobicContact CG1-CB 4.24Å; V263-L268 HydrophobicContact CB-CD1 4.17Å; V263-L268 HydrophobicContact CG1-CB 4.4Å; V263-L268 HydrophobicContact CG1-CD1 4.23Å; V263-V271 HydrophobicContact CG1-CG2 3.91Å; V263-V271 HydrophobicContact CG2-CG1 4.49Å
264P94.1Very high95.9Very high33 Ų3342 Ų4221%0.21419%0.189CC..  trans-55.8137.2176-27.536.3000112.2Q220 N262 R266 W267 L268Q220-P264 HydrophobicContact CG-CG 3.98Å; N262-P264 WeakPolarHBondContact O-CD 3.24Å; P264-R266 HydrophobicContact CB-CG 4.08Å; P264-R266 PolarHBondContact O-N 3.39Å; P264-R266 VanDerWaalsContact O-N 3.08Å; P264-W267 HydrophobicContact CB-CD2 4.27Å; P264-W267 HydrophobicContact CB-CE3 4.04Å; P264-W267 HydrophobicContact CB-CZ3 4.47Å; P264-W267 HydrophobicContact CG-CD2 4.31Å; P264-W267 HydrophobicContact CG-CE3 3.59Å; P264-W267 HydrophobicContact CG-CZ3 3.7Å; P264-W267 PolarHBondContact O-N 3.47Å; P264-L268 PolarHBondContact O-N 3.39Å
265E94Very high96Very high120 Ų12034.4 Ų34.456%0.56116%0.16SC*.Hα-helixtrans-53.1-39.5-175.7-66.9-170.7165.400112.6V263 W267 L268 K298V263-E265 PolarHBondContact O-N 2.94Å; E265-W267 PolarHBondContact O-N 3.42Å; E265-L268 WeakPolarHBondContact O-CB 3.38Å; E265-L268 PolarHBondContact O-N 3.16Å; E265-K298 HydrophobicContact CB-CD 4.19Å; E265-K298 WeakPolarHBondContact O-CD 3.39Å; E265-K298 WeakPolarHBondContact O-CE 3.41Å; E265-K298 PolarHBondContact O-NZ 3.34Å
266R94.8Very high96Very high157 Ų15734.4 Ų34.459%0.59216%0.16SC*.Hα-helixtrans-54.5-27.5176.456.1169.4-174.7-167.50.3114.1P264P264-R266 HydrophobicContact CB-CG 4.08Å; P264-R266 PolarHBondContact O-N 3.39Å; P264-R266 VanDerWaalsContact O-N 3.08Å
267W96.1Very high95.9Very high22 Ų2239.2 Ų39.28%0.08318%0.182CC..Hα-helixtrans-106.9-10.9-176.4-55.6-22.1000113.7L161 Q220 K224 V227 V263 P264 E265 E269 S270 V271L161-W267 HydrophobicContact CD2-CH2 3.7Å; L161-W267 HydrophobicContact CD2-CZ3 4.07Å; Q220-W267 HydrophobicContact CB-CZ3 3.94Å; Q220-W267 HydrophobicContact CG-CZ3 4.09Å; Q220-W267 WeakPolarHBondContact O-CZ3 3.4Å; K224-W267 HydrophobicContact CB-CE3 4.37Å; K224-W267 HydrophobicContact CB-CH2 4.19Å; K224-W267 HydrophobicContact CB-CZ2 4.41Å; K224-W267 HydrophobicContact CB-CZ3 4.15Å; K224-W267 HydrophobicContact CD-CH2 4.43Å; V227-W267 HydrophobicContact CG2-CB 3.61Å; V227-W267 HydrophobicContact CG2-CG 3.73Å; V263-W267 HydrophobicContact CG1-CB 4.24Å; P264-W267 HydrophobicContact CB-CD2 4.27Å; P264-W267 HydrophobicContact CB-CE3 4.04Å; P264-W267 HydrophobicContact CB-CZ3 4.47Å; P264-W267 HydrophobicContact CG-CD2 4.31Å; P264-W267 HydrophobicContact CG-CE3 3.59Å; P264-W267 HydrophobicContact CG-CZ3 3.7Å; P264-W267 PolarHBondContact O-N 3.47Å; E265-W267 PolarHBondContact O-N 3.42Å; W267-E269 VanDerWaalsContact C-N 3.3Å; W267-E269 PolarHBondContact O-N 3.3Å; W267-S270 PolarHBondContact O-N 3.23Å; W267-V271 PolarHBondContact O-N 3.04Å
268L96.3Very high95.8Very high1 Ų136.9 Ų36.91%0.00518%0.179CC..Hα-helixtrans-59.2-38.3-172.3-173.559.6000113.2V263 P264 E265 S270 V271 L272 L292 A299V263-L268 HydrophobicContact CB-CD1 4.17Å; V263-L268 HydrophobicContact CG1-CB 4.4Å; V263-L268 HydrophobicContact CG1-CD1 4.23Å; P264-L268 PolarHBondContact O-N 3.39Å; E265-L268 WeakPolarHBondContact O-CB 3.38Å; E265-L268 PolarHBondContact O-N 3.16Å; L268-S270 PolarHBondContact O-N 2.97Å; L268-V271 PolarHBondContact O-N 3.48Å; L268-L272 HydrophobicContact CD1-CD1 4.37Å; L268-L272 HydrophobicContact CD1-CD2 4.47Å; L268-L272 HydrophobicContact CD1-CG 4.16Å; L268-L272 HydrophobicContact CG-CD1 4.01Å; L268-L272 HydrophobicContact CG-CG 4.22Å; L268-L272 VanDerWaalsContact O-CG 3.3Å; L268-L272 WeakPolarHBondContact O-CG 3.42Å; L268-L272 PolarHBondContact O-N 2.69Å; L268-L292 HydrophobicContact CD1-CD2 4.42Å; L268-A299 HydrophobicContact CD2-CB 3.94Å
269E96.3Very high95.8Very high40 Ų4032.4 Ų32.419%0.18716%0.159CC..Hα-helixtrans-59.3-47.4178.8-178.9-177.3153.200112.5W267 V271 L272 T273 V302 K306 Q311W267-E269 VanDerWaalsContact C-N 3.3Å; W267-E269 PolarHBondContact O-N 3.3Å; E269-V271 VanDerWaalsContact C-N 3.27Å; E269-V271 PolarHBondContact O-N 3.46Å; E269-L272 PolarHBondContact O-N 3.5Å; E269-T273 VanDerWaalsContact O-CB 3.24Å; E269-T273 WeakPolarHBondContact O-CB 3.43Å; E269-T273 PolarHBondContact O-N 3.16Å; E269-T273 PolarHBondContact O-OG1 2.89Å; E269-V302 HydrophobicContact CB-CG2 3.97Å; E269-V302 HydrophobicContact CG-CG1 4.21Å; E269-V302 HydrophobicContact CG-CG2 3.93Å; E269-K306 HydrophobicContact CG-CD 4.46Å; E269-K306 WeakPolarHBondContact OE1-CD 3.23Å; E269-K306 VanDerWaalsContact OE1-CE 3.25Å; E269-K306 WeakPolarHBondContact OE1-CE 3.49Å; E269-K306 IonicContact OE1-NZ 3.59Å; E269-K306 PolarHBondContact OE1-NZ 3.08Å; E269-K306 IonicContact OE2-NZ 3.91Å; E269-K306 PolarHBondContact OE2-NZ 3.39Å; E269-Q311 PolarHBondContact OE1-NE2 2.94Å
270S97.1Very high95.5Very high37 Ų3737 Ų3726%0.25918%0.184SC..Hα-helixtrans-64.6-35.3-179.7-55.10000111.7V227 W267 L268 G274V227-S270 WeakPolarHBondContact CG2-OG 3.38Å; W267-S270 PolarHBondContact O-N 3.23Å; L268-S270 PolarHBondContact O-N 2.97Å; S270-G274 PolarHBondContact O-N 3.47Å
271V97.8Very high95.3Very high0 Ų043.2 Ų43.20%021%0.207CC..Hα-helixtrans-66.8-50.9175.4177.30000110.7L222 C226 F235 L260 V263 W267 L268 E269 T273 G274 M275L222-V271 HydrophobicContact CD2-CG1 4.3Å; C226-V271 HydrophobicContact CB-CG2 3.96Å; F235-V271 HydrophobicContact CE2-CG1 4.17Å; F235-V271 VanDerWaalsContact CE2-O 3.32Å; F235-V271 WeakPolarHBondContact CE2-O 3.4Å; F235-V271 HydrophobicContact CZ-CG1 3.76Å; L260-V271 HydrophobicContact CD2-CG1 3.76Å; V263-V271 HydrophobicContact CG1-CG2 3.91Å; V263-V271 HydrophobicContact CG2-CG1 4.49Å; W267-V271 PolarHBondContact O-N 3.04Å; L268-V271 PolarHBondContact O-N 3.48Å; E269-V271 VanDerWaalsContact C-N 3.27Å; E269-V271 PolarHBondContact O-N 3.46Å; V271-T273 VanDerWaalsContact C-N 3.34Å; V271-T273 PolarHBondContact O-N 3.44Å; V271-G274 PolarHBondContact O-N 2.8Å; V271-M275 VanDerWaalsContact O-CB 3.28Å; V271-M275 WeakPolarHBondContact O-CB 3.23Å; V271-M275 PolarHBondContact O-N 2.93Å
272L96.9Very high95.2Very high0 Ų042.1 Ų42.10%020%0.204CC..Hα-helixtrans-61.5-43.8179.2-67.1-179.4000111.6L268 E269 G274 M275 V276 M289 L292 A299 V302 I303L268-L272 HydrophobicContact CD1-CD1 4.37Å; L268-L272 HydrophobicContact CD1-CD2 4.47Å; L268-L272 HydrophobicContact CD1-CG 4.16Å; L268-L272 HydrophobicContact CG-CD1 4.01Å; L268-L272 HydrophobicContact CG-CG 4.22Å; L268-L272 VanDerWaalsContact O-CG 3.3Å; L268-L272 WeakPolarHBondContact O-CG 3.42Å; L268-L272 PolarHBondContact O-N 2.69Å; E269-L272 PolarHBondContact O-N 3.5Å; L272-G274 PolarHBondContact O-N 2.86Å; L272-M275 HydrophobicContact CD2-CE 3.64Å; L272-M275 PolarHBondContact O-N 3.44Å; L272-V276 WeakPolarHBondContact O-CB 3.33Å; L272-V276 WeakPolarHBondContact O-CG2 3.23Å; L272-V276 PolarHBondContact O-N 2.93Å; L272-M289 HydrophobicContact CD2-CE 3.54Å; L272-M289 HydrophobicContact CD2-SD 4.08Å; L272-L292 HydrophobicContact CD2-CD2 4.08Å; L272-A299 HydrophobicContact CD1-CB 3.9Å; L272-V302 HydrophobicContact CB-CG1 4.27Å; L272-V302 HydrophobicContact CD1-CB 4.23Å; L272-V302 HydrophobicContact CD1-CG1 4.14Å; L272-I303 HydrophobicContact CD1-CD1 4.5Å; L272-I303 HydrophobicContact CD1-CG1 4.29Å
273T96.1Very high95.1Very high17 Ų1742.9 Ų42.910%0.10421%0.208CC..Hα-helixtrans-60.3-46.1178.3-59.50000111.8E269 V271 Q277 Y314E269-T273 VanDerWaalsContact O-CB 3.24Å; E269-T273 WeakPolarHBondContact O-CB 3.43Å; E269-T273 PolarHBondContact O-N 3.16Å; E269-T273 PolarHBondContact O-OG1 2.89Å; V271-T273 VanDerWaalsContact C-N 3.34Å; V271-T273 PolarHBondContact O-N 3.44Å; T273-Q277 VanDerWaalsContact CG2-NE2 3.33Å; T273-Q277 WeakPolarHBondContact O-CG 3.32Å; T273-Q277 PolarHBondContact O-N 2.99Å; T273-Q277 PolarHBondContact O-NE2 3.37Å; T273-Y314 HydrophobicContact CG2-CE1 4.03Å; T273-Y314 WeakPolarHBondContact CG2-OH 3.36Å
274G95.8Very high95Very high2 Ų242.9 Ų42.92%0.02121%0.209CC..Hα-helixtrans-67.3-41177.500000113.1S270 V271 L272 A278S270-G274 PolarHBondContact O-N 3.47Å; V271-G274 PolarHBondContact O-N 2.8Å; L272-G274 PolarHBondContact O-N 2.86Å; G274-A278 WeakPolarHBondContact O-CB 3.35Å; G274-A278 PolarHBondContact O-N 2.99Å
275M95.9Very high95.1Very high2 Ų241.3 Ų41.31%0.0120%0.199CC..Hα-helixtrans-66-46.3-179.2-176.1168.752.300112.2F235 L260 V271 L272 Q277 A278 V279 L285 I288 M289F235-M275 HydrophobicContact CD1-CB 4.08Å; F235-M275 HydrophobicContact CD1-CG 4.34Å; F235-M275 HydrophobicContact CE1-CB 3.7Å; F235-M275 HydrophobicContact CE1-CG 3.94Å; F235-M275 HydrophobicContact CE1-SD 4.29Å; F235-M275 HydrophobicContact CE2-CB 4.16Å; F235-M275 HydrophobicContact CG-CB 4.48Å; F235-M275 HydrophobicContact CZ-CB 3.73Å; F235-M275 HydrophobicContact CZ-CG 4.4Å; L260-M275 HydrophobicContact CD1-CE 3.8Å; L260-M275 HydrophobicContact CD1-SD 3.99Å; L260-M275 HydrophobicContact CD2-CE 4Å; L260-M275 HydrophobicContact CD2-SD 4.19Å; V271-M275 VanDerWaalsContact O-CB 3.28Å; V271-M275 WeakPolarHBondContact O-CB 3.23Å; V271-M275 PolarHBondContact O-N 2.93Å; L272-M275 HydrophobicContact CD2-CE 3.64Å; L272-M275 PolarHBondContact O-N 3.44Å; M275-Q277 VanDerWaalsContact C-N 3.28Å; M275-Q277 PolarHBondContact O-N 2.95Å; M275-A278 PolarHBondContact O-N 3.41Å; M275-A278 VanDerWaalsContact O-N 3.09Å; M275-V279 HydrophobicContact CG-CG2 4.16Å; M275-V279 WeakPolarHBondContact O-CG2 3.11Å; M275-V279 PolarHBondContact O-N 3.1Å; M275-L285 HydrophobicContact CE-CD1 4.35Å; M275-L285 HydrophobicContact CG-CD1 4.14Å; M275-L285 HydrophobicContact SD-CD1 4.49Å; M275-I288 HydrophobicContact SD-CG2 3.66Å; M275-M289 HydrophobicContact CE-CG 3.34Å; M275-M289 HydrophobicContact CE-SD 3.51Å; M275-M289 VanDerWaalsContact CE-SD 3.51Å; M275-M289 HydrophobicContact SD-CG 4.15Å
276V95.4Very high95.2Very high2 Ų236.5 Ų36.51%0.01218%0.179CC..Hα-helixtrans-63.4-36.5-178.7172.70000111.3L272 A278 L285 I303 V318 I321 L322L272-V276 WeakPolarHBondContact O-CB 3.33Å; L272-V276 WeakPolarHBondContact O-CG2 3.23Å; L272-V276 PolarHBondContact O-N 2.93Å; V276-A278 VanDerWaalsContact C-N 3.31Å; V276-L285 HydrophobicContact CG2-CD1 4.25Å; V276-L285 HydrophobicContact CG2-CD2 4.01Å; V276-I303 HydrophobicContact CG2-CD1 4.19Å; V276-V318 HydrophobicContact CG1-CG1 3.61Å; V276-I321 HydrophobicContact CG1-CG2 4.46Å; V276-L322 HydrophobicContact CB-CD2 4.24Å; V276-L322 HydrophobicContact CG1-CD1 4.21Å; V276-L322 HydrophobicContact CG1-CD2 3.58Å; V276-L322 HydrophobicContact CG1-CG 3.65Å; V276-L322 HydrophobicContact CG2-CD2 3.62Å
277Q94.9Very high95.2Very high102 Ų10231.5 Ų31.548%0.47716%0.16SC..Hα-helixtrans-70.6-25.7175.5-75.5172.890.300113.5T273 M275 Y314 V318T273-Q277 VanDerWaalsContact CG2-NE2 3.33Å; T273-Q277 WeakPolarHBondContact O-CG 3.32Å; T273-Q277 PolarHBondContact O-N 2.99Å; T273-Q277 PolarHBondContact O-NE2 3.37Å; M275-Q277 VanDerWaalsContact C-N 3.28Å; M275-Q277 PolarHBondContact O-N 2.95Å; Q277-Y314 HydrophobicContact CG-CD1 3.99Å; Q277-Y314 HydrophobicContact CG-CE1 4.12Å; Q277-V318 HydrophobicContact CG-CG2 4.17Å
278A95.3Very high95.2Very high26 Ų2630.5 Ų30.522%0.21516%0.156CC..Hα-helixtrans-95.9-18.5-175.500000114.1F235 A239 G274 M275 V276F235-A278 HydrophobicContact CB-CB 3.57Å; A239-A278 HydrophobicContact CB-CB 3.59Å; G274-A278 WeakPolarHBondContact O-CB 3.35Å; G274-A278 PolarHBondContact O-N 2.99Å; M275-A278 PolarHBondContact O-N 3.41Å; M275-A278 VanDerWaalsContact O-N 3.09Å; V276-A278 VanDerWaalsContact C-N 3.31Å
279V94.8Very high95.2Very high1 Ų130.5 Ų30.51%0.00616%0.156CC..  trans-84142178.4172.30000110A239 M275 R281 A284 L285 I288 I321A239-V279 HydrophobicContact CB-CG2 4.05Å; M275-V279 HydrophobicContact CG-CG2 4.16Å; M275-V279 WeakPolarHBondContact O-CG2 3.11Å; M275-V279 PolarHBondContact O-N 3.1Å; V279-R281 VanDerWaalsContact CG1-O 3.32Å; V279-R281 WeakPolarHBondContact CG1-O 3.16Å; V279-A284 HydrophobicContact CG1-CB 3.71Å; V279-L285 HydrophobicContact CG1-CB 4.09Å; V279-L285 HydrophobicContact CG2-CD1 4.3Å; V279-I288 HydrophobicContact CG2-CD1 4.14Å; V279-I321 WeakPolarHBondContact O-CD1 3.49Å
280N90.1Very high95.1Very high104 Ų10428.9 Ų28.956%0.55615%0.15SC*.  trans-92.3-27.6-173.9-63-14.4000114.8R317N280-R317 VanDerWaalsContact CA-NH2 3.33Å; N280-R317 PolarHBondContact OD1-NH2 2.96Å
281R91.7Very high95Very high135 Ų13528.7 Ų28.751%0.50915%0.146SC..  trans-134.2148.4-173.3-60.4-166.377.9103.5-0.5112.1V279 D283 A284 L285V279-R281 VanDerWaalsContact CG1-O 3.32Å; V279-R281 WeakPolarHBondContact CG1-O 3.16Å; R281-D283 VanDerWaalsContact C-N 3.27Å; R281-D283 PolarHBondContact O-N 3.12Å; R281-A284 PolarHBondContact O-N 2.7Å; R281-L285 PolarHBondContact O-N 3.3Å
282P93.5Very high94.9Very high26 Ų2628.9 Ų28.917%0.16915%0.147CC..Hα-helixtrans-61.5-33.2177-715.7000112.9A284 L285 S286 Q328P282-A284 VanDerWaalsContact C-N 3.34Å; P282-A284 PolarHBondContact O-N 2.86Å; P282-L285 PolarHBondContact O-N 2.89Å; P282-S286 WeakPolarHBondContact O-CB 3.27Å; P282-S286 PolarHBondContact O-N 3.18Å; P282-Q328 VanDerWaalsContact C-NE2 3.35Å; P282-Q328 PolarHBondContact O-OE1 3.34Å
283D93.3Very high94.9Very high68 Ų6828.9 Ų28.936%0.36415%0.147SC..Hα-helixtrans-62.9-40.5177.4-52.7-61.1000112.4R281 S286 R287 Q328R281-D283 VanDerWaalsContact C-N 3.27Å; R281-D283 PolarHBondContact O-N 3.12Å; D283-S286 WeakPolarHBondContact O-CB 3.41Å; D283-S286 PolarHBondContact O-N 2.93Å; D283-R287 WeakPolarHBondContact O-CG 3.43Å; D283-R287 PolarHBondContact O-N 3.49Å; D283-R287 PolarHBondContact O-NH1 3.4Å; D283-Q328 VanDerWaalsContact N-NE2 3.11Å; D283-Q328 VanDerWaalsContact OD1-CD 3.29Å; D283-Q328 PolarHBondContact OD1-NE2 2.89Å
284A94.9Very high94.9Very high6 Ų631.6 Ų31.65%0.0516%0.16CC..Hα-helixtrans-66-43177.400000110.4V279 R281 P282 S286 R287 I288V279-A284 HydrophobicContact CG1-CB 3.71Å; R281-A284 PolarHBondContact O-N 2.7Å; P282-A284 VanDerWaalsContact C-N 3.34Å; P282-A284 PolarHBondContact O-N 2.86Å; A284-S286 VanDerWaalsContact C-N 3.3Å; A284-S286 PolarHBondContact O-N 2.96Å; A284-R287 PolarHBondContact O-N 3.28Å; A284-I288 WeakPolarHBondContact O-CB 3.3Å; A284-I288 WeakPolarHBondContact O-CD1 3.33Å; A284-I288 VanDerWaalsContact O-CG1 3.22Å; A284-I288 WeakPolarHBondContact O-CG1 3.2Å; A284-I288 PolarHBondContact O-N 3.25Å
285L96.1Very high94.8Very high0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-61.4-41.8175.9-169.666.3000111.1M275 V276 V279 R281 P282 I288 M289 I321 Y325M275-L285 HydrophobicContact CE-CD1 4.35Å; M275-L285 HydrophobicContact CG-CD1 4.14Å; M275-L285 HydrophobicContact SD-CD1 4.49Å; V276-L285 HydrophobicContact CG2-CD1 4.25Å; V276-L285 HydrophobicContact CG2-CD2 4.01Å; V279-L285 HydrophobicContact CG1-CB 4.09Å; V279-L285 HydrophobicContact CG2-CD1 4.3Å; R281-L285 PolarHBondContact O-N 3.3Å; P282-L285 PolarHBondContact O-N 2.89Å; L285-I288 PolarHBondContact O-N 3.46Å; L285-M289 HydrophobicContact CD1-CG 3.92Å; L285-M289 HydrophobicContact CD1-SD 3.44Å; L285-M289 WeakPolarHBondContact CD1-SD 3.33Å; L285-M289 HydrophobicContact CD2-SD 4.08Å; L285-M289 HydrophobicContact CG-CG 4.28Å; L285-M289 HydrophobicContact CG-SD 3.68Å; L285-M289 VanDerWaalsContact O-CB 3.32Å; L285-M289 WeakPolarHBondContact O-CB 3.18Å; L285-M289 PolarHBondContact O-N 3.36Å; L285-I321 HydrophobicContact CB-CG2 4.05Å; L285-I321 HydrophobicContact CD2-CG2 3.54Å; L285-I321 HydrophobicContact CG-CG2 4.35Å; L285-Y325 HydrophobicContact CB-CD2 4.38Å; L285-Y325 HydrophobicContact CD2-CD2 4.18Å; L285-Y325 HydrophobicContact CD2-CG 4.02Å; L285-Y325 HydrophobicContact CG-CD2 3.98Å; L285-Y325 HydrophobicContact CG-CG 4.33Å
286S95.6Very high94.8Very high19 Ų1938.9 Ų38.913%0.13319%0.193CC..Hα-helixtrans-60.9-45177-171.90000112.5P282 D283 A284 G290 Q328 R332P282-S286 WeakPolarHBondContact O-CB 3.27Å; P282-S286 PolarHBondContact O-N 3.18Å; D283-S286 WeakPolarHBondContact O-CB 3.41Å; D283-S286 PolarHBondContact O-N 2.93Å; A284-S286 VanDerWaalsContact C-N 3.3Å; A284-S286 PolarHBondContact O-N 2.96Å; S286-G290 VanDerWaalsContact O-CA 3.31Å; S286-G290 WeakPolarHBondContact O-CA 3.37Å; S286-G290 PolarHBondContact O-N 3Å; S286-Q328 PolarHBondContact OG-OE1 3.34Å; S286-R332 PolarHBondContact OG-NH1 3.36Å; S286-R332 PolarHBondContact OG-NH2 3.31Å
287R95.8Very high94.8Very high51 Ų5147.3 Ų47.319%0.19223%0.229CC..Hα-helixtrans-66.6-35.6175.4-69.6-171.7-56-86.20113.2T246 Q253 W257 D283 A284T246-R287 WeakPolarHBondContact O-CD 3.36Å; Q253-R287 HydrophobicContact CG-CB 4.2Å; W257-R287 PolarHBondContact NE1-O 2.88Å; D283-R287 WeakPolarHBondContact O-CG 3.43Å; D283-R287 PolarHBondContact O-N 3.49Å; D283-R287 PolarHBondContact O-NH1 3.4Å; A284-R287 PolarHBondContact O-N 3.28Å
288I96.1Very high94.9Very high2 Ų245.3 Ų45.31%0.0122%0.219CC..Hα-helixtrans-79.2-42.1-178.3-64.8166.6000112L242 T246 C256 W257 L260 M275 V279 A284 L285L242-I288 HydrophobicContact CB-CD1 3.85Å; L242-I288 HydrophobicContact CB-CG1 4.11Å; L242-I288 HydrophobicContact CD1-CG2 4.41Å; T246-I288 HydrophobicContact CG2-CG1 4.25Å; C256-I288 HydrophobicContact CB-CG2 4.21Å; C256-I288 WeakPolarHBondContact CB-O 3.23Å; W257-I288 VanDerWaalsContact CD1-O 3.29Å; L260-I288 HydrophobicContact CD1-CG2 4.31Å; M275-I288 HydrophobicContact SD-CG2 3.66Å; V279-I288 HydrophobicContact CG2-CD1 4.14Å; A284-I288 WeakPolarHBondContact O-CB 3.3Å; A284-I288 WeakPolarHBondContact O-CD1 3.33Å; A284-I288 VanDerWaalsContact O-CG1 3.22Å; A284-I288 WeakPolarHBondContact O-CG1 3.2Å; A284-I288 PolarHBondContact O-N 3.25Å; L285-I288 PolarHBondContact O-N 3.46Å
289M95.6Very high95Very high1 Ų144 Ų441%0.00521%0.209CC..Hα-helixtrans-89.8-27.9-176.7-73.7-175.960.500113.9L260 L272 M275 L285 L292 V293 I303 Y325L260-M289 HydrophobicContact CD1-CB 4.32Å; L260-M289 HydrophobicContact CD1-CG 3.82Å; L272-M289 HydrophobicContact CD2-CE 3.54Å; L272-M289 HydrophobicContact CD2-SD 4.08Å; M275-M289 HydrophobicContact CE-CG 3.34Å; M275-M289 HydrophobicContact CE-SD 3.51Å; M275-M289 VanDerWaalsContact CE-SD 3.51Å; M275-M289 HydrophobicContact SD-CG 4.15Å; L285-M289 HydrophobicContact CD1-CG 3.92Å; L285-M289 HydrophobicContact CD1-SD 3.44Å; L285-M289 WeakPolarHBondContact CD1-SD 3.33Å; L285-M289 HydrophobicContact CD2-SD 4.08Å; L285-M289 HydrophobicContact CG-CG 4.28Å; L285-M289 HydrophobicContact CG-SD 3.68Å; L285-M289 VanDerWaalsContact O-CB 3.32Å; L285-M289 WeakPolarHBondContact O-CB 3.18Å; L285-M289 PolarHBondContact O-N 3.36Å; M289-L292 HydrophobicContact CE-CD2 4.22Å; M289-L292 WeakPolarHBondContact O-CB 3.49Å; M289-L292 PolarHBondContact O-N 3Å; M289-V293 HydrophobicContact CE-CG1 4.4Å; M289-I303 HydrophobicContact CE-CD1 4.11Å; M289-I303 HydrophobicContact CE-CG1 4.2Å; M289-Y325 HydrophobicContact CB-CE2 3.64Å; M289-Y325 HydrophobicContact CE-CE1 4.36Å; M289-Y325 HydrophobicContact CE-CE2 4.47Å; M289-Y325 HydrophobicContact SD-CE2 4.35Å
290G94.6Very high95.1Very high6 Ų646.5 Ų46.56%0.06222%0.22CC..THydrogen-bonded Turntrans53.8-141.5-171.400000111.3S286 L292 Y325S286-G290 VanDerWaalsContact O-CA 3.31Å; S286-G290 WeakPolarHBondContact O-CA 3.37Å; S286-G290 PolarHBondContact O-N 3Å; G290-L292 VanDerWaalsContact C-N 3.3Å; G290-L292 PolarHBondContact O-N 3.45Å; G290-Y325 WeakPolarHBondContact O-CE2 3.34Å; G290-Y325 PolarHBondContact O-OH 3.45Å
291N95.2Very high95.4Very high32 Ų3246.4 Ų46.417%0.17122%0.215CC..THydrogen-bonded Turntrans-92.335.6179.2-69.6-17.5000113.7V293 L294 K295 D329 E331 R332N291-V293 PolarHBondContact O-N 2.97Å; N291-L294 HydrophobicContact CB-CD1 4.02Å; N291-L294 HydrophobicContact CB-CG 4.35Å; N291-L294 PolarHBondContact O-N 2.89Å; N291-K295 PolarHBondContact O-N 3.36Å; N291-D329 PolarHBondContact ND2-OD2 3.02Å; N291-D329 PolarHBondContact OD1-OD2 3.37Å; N291-D329 VanDerWaalsContact OD1-OD2 3.06Å; N291-E331 PolarHBondContact ND2-OE2 2.97Å; N291-R332 WeakPolarHBondContact OD1-CD 3.42Å; N291-R332 PolarHBondContact OD1-NE 3.23Å
292L95.9Very high95.7Very high5 Ų540 Ų403%0.02619%0.191CC..Hα-helixtrans-54.3-39179.1-17866.8000112.9L260 E261 L268 L272 M289 G290 L294 K295 N296 A299L260-L292 HydrophobicContact CB-CD2 3.91Å; L260-L292 HydrophobicContact CD1-CD2 4.43Å; E261-L292 HydrophobicContact CG-CD1 3.88Å; L268-L292 HydrophobicContact CD1-CD2 4.42Å; L272-L292 HydrophobicContact CD2-CD2 4.08Å; M289-L292 HydrophobicContact CE-CD2 4.22Å; M289-L292 WeakPolarHBondContact O-CB 3.49Å; M289-L292 PolarHBondContact O-N 3Å; G290-L292 VanDerWaalsContact C-N 3.3Å; G290-L292 PolarHBondContact O-N 3.45Å; L292-L294 PolarHBondContact O-N 3.05Å; L292-K295 PolarHBondContact O-N 2.95Å; L292-K295 VanDerWaalsContact O-N 3.1Å; L292-N296 HydrophobicContact CD1-CB 4.4Å; L292-N296 PolarHBondContact O-N 3.34Å; L292-A299 HydrophobicContact CD2-CB 4.23Å; L292-A299 HydrophobicContact CG-CB 3.97Å
293V96.6Very high95.8Very high0 Ų038.8 Ų38.80%018%0.183CC..Hα-helixtrans-63.7-21.8178.8-64.10000113.7M289 N291 A299 Q300 I303 Y325 L326 R332 L335M289-V293 HydrophobicContact CE-CG1 4.4Å; N291-V293 PolarHBondContact O-N 2.97Å; V293-A299 HydrophobicContact CG1-CB 4.46Å; V293-Q300 VanDerWaalsContact O-CB 3.31Å; V293-Q300 WeakPolarHBondContact O-CB 3.24Å; V293-I303 HydrophobicContact CG1-CB 3.97Å; V293-I303 HydrophobicContact CG1-CG1 3.83Å; V293-I303 HydrophobicContact CG1-CG2 4.18Å; V293-Y325 HydrophobicContact CG1-CE1 3.78Å; V293-Y325 HydrophobicContact CG2-CE1 3.93Å; V293-L326 HydrophobicContact CG2-CD2 4.41Å; V293-R332 HydrophobicContact CG2-CG 3.98Å; V293-L335 HydrophobicContact CB-CD1 4.13Å; V293-L335 HydrophobicContact CG2-CD1 3.71Å
294L96Very high96Very high73 Ų7336 Ų3638%0.38217%0.169SC..Hα-helixtrans-86.2-24.9175.9-58.1-179.1000112.1N291 L292 E331 R332 L335N291-L294 HydrophobicContact CB-CD1 4.02Å; N291-L294 HydrophobicContact CB-CG 4.35Å; N291-L294 PolarHBondContact O-N 2.89Å; L292-L294 PolarHBondContact O-N 3.05Å; L294-E331 HydrophobicContact CD1-CB 3.52Å; L294-R332 HydrophobicContact CD1-CG 4.29Å; L294-R332 HydrophobicContact CG-CG 4.33Å; L294-L335 HydrophobicContact CD2-CD1 3.72Å; L294-L335 HydrophobicContact CD2-CG 4.25Å
295K94.4Very high96Very high135 Ų13538.9 Ų38.959%0.58718%0.18SC*.Hα-helixtrans-91.5-29.8-177.2-66.3173.4177.1169.40112.9E261 N291 L292E261-K295 VanDerWaalsContact OE1-CD 3.22Å; E261-K295 WeakPolarHBondContact OE1-CD 3.37Å; E261-K295 IonicContact OE1-NZ 3.1Å; E261-K295 PolarHBondContact OE1-NZ 3Å; N291-K295 PolarHBondContact O-N 3.36Å; L292-K295 PolarHBondContact O-N 2.95Å; L292-K295 VanDerWaalsContact O-N 3.1Å
296N95.5Very high96Very high22 Ų2241.3 Ų41.312%0.11819%0.191CC..  trans-124.7114.4-174.3-171.7-49000111.3L292 K298 A299 Q300L292-N296 HydrophobicContact CD1-CB 4.4Å; L292-N296 PolarHBondContact O-N 3.34Å; N296-K298 PolarHBondContact O-N 3.42Å; N296-K298 WeakPolarHBondContact OD1-CA 3.47Å; N296-K298 VanDerWaalsContact OD1-CB 3.32Å; N296-K298 WeakPolarHBondContact OD1-CB 3.36Å; N296-K298 PolarHBondContact OD1-N 2.99Å; N296-A299 HydrophobicContact CB-CB 3.97Å; N296-A299 WeakPolarHBondContact O-CB 3.24Å; N296-A299 PolarHBondContact O-N 2.56Å; N296-A299 VanDerWaalsContact O-N 3.1Å; N296-A299 PolarHBondContact OD1-N 2.91Å; N296-A299 VanDerWaalsContact OD1-N 3.15Å; N296-Q300 PolarHBondContact O-N 3.27Å
297K95.4Very high96Very high179 Ų17940.5 Ų40.578%0.77819%0.185SC*.Hα-helixtrans-60-32.2-179.5-67.8-174.6178-178.60113.2Q300 F301K297-Q300 WeakPolarHBondContact O-CB 3.48Å; K297-F301 WeakPolarHBondContact O-CB 3.46Å; K297-F301 PolarHBondContact O-N 3.27Å
298K96Very high96Very high60 Ų6038 Ų3826%0.26118%0.176SC..Hα-helixtrans-72.3-41.1176.3-172.8167.4179.4178.30111.3E265 N296 Q300 F301 V302E265-K298 HydrophobicContact CB-CD 4.19Å; E265-K298 WeakPolarHBondContact O-CD 3.39Å; E265-K298 WeakPolarHBondContact O-CE 3.41Å; E265-K298 PolarHBondContact O-NZ 3.34Å; N296-K298 PolarHBondContact O-N 3.42Å; N296-K298 WeakPolarHBondContact OD1-CA 3.47Å; N296-K298 VanDerWaalsContact OD1-CB 3.32Å; N296-K298 WeakPolarHBondContact OD1-CB 3.36Å; N296-K298 PolarHBondContact OD1-N 2.99Å; K298-Q300 VanDerWaalsContact C-N 3.31Å; K298-Q300 PolarHBondContact O-N 2.95Å; K298-F301 PolarHBondContact O-N 3.19Å; K298-V302 HydrophobicContact CG-CG2 4.39Å; K298-V302 WeakPolarHBondContact O-CB 3.4Å; K298-V302 VanDerWaalsContact O-CG2 3.23Å; K298-V302 WeakPolarHBondContact O-CG2 3.31Å; K298-V302 PolarHBondContact O-N 3.41Å
299A96.9Very high95.8Very high0 Ų038.6 Ų38.60%018%0.179CC..Hα-helixtrans-60.2-44.7172.300000111.1L268 L272 L292 V293 N296 V302 I303L268-A299 HydrophobicContact CD2-CB 3.94Å; L272-A299 HydrophobicContact CD1-CB 3.9Å; L292-A299 HydrophobicContact CD2-CB 4.23Å; L292-A299 HydrophobicContact CG-CB 3.97Å; V293-A299 HydrophobicContact CG1-CB 4.46Å; N296-A299 HydrophobicContact CB-CB 3.97Å; N296-A299 WeakPolarHBondContact O-CB 3.24Å; N296-A299 PolarHBondContact O-N 2.56Å; N296-A299 VanDerWaalsContact O-N 3.1Å; N296-A299 PolarHBondContact OD1-N 2.91Å; N296-A299 VanDerWaalsContact OD1-N 3.15Å; A299-V302 PolarHBondContact O-N 3.37Å; A299-I303 WeakPolarHBondContact O-CB 3.27Å; A299-I303 VanDerWaalsContact O-CG1 3.32Å; A299-I303 WeakPolarHBondContact O-CG1 3.38Å; A299-I303 PolarHBondContact O-N 2.67Å
300Q97.3Very high95.6Very high52 Ų5242.8 Ų42.824%0.24320%0.201CC..Hα-helixtrans-53.4-58.7174.5-165.5-175.6-17.300110.5V293 N296 K297 K298 V302 I303 T304 L335V293-Q300 VanDerWaalsContact O-CB 3.31Å; V293-Q300 WeakPolarHBondContact O-CB 3.24Å; N296-Q300 PolarHBondContact O-N 3.27Å; K297-Q300 WeakPolarHBondContact O-CB 3.48Å; K298-Q300 VanDerWaalsContact C-N 3.31Å; K298-Q300 PolarHBondContact O-N 2.95Å; Q300-V302 VanDerWaalsContact C-N 3.32Å; Q300-V302 PolarHBondContact O-N 2.99Å; Q300-I303 PolarHBondContact O-N 2.86Å; Q300-T304 HydrophobicContact CG-CG2 4.33Å; Q300-T304 WeakPolarHBondContact O-CB 3.26Å; Q300-T304 WeakPolarHBondContact O-CG2 3.39Å; Q300-T304 PolarHBondContact O-N 3.31Å; Q300-T304 PolarHBondContact O-OG1 3.39Å; Q300-L335 HydrophobicContact CG-CD1 4.13Å; Q300-L335 HydrophobicContact CG-CD2 4.03Å
301F97.4Very high95.5Very high102 Ų10244.2 Ų44.245%0.44721%0.206SC..Hα-helixtrans-58.5-40.6-178.5177.4-99.9000113.2K297 K298 H305 K306 L310K297-F301 WeakPolarHBondContact O-CB 3.46Å; K297-F301 PolarHBondContact O-N 3.27Å; K298-F301 PolarHBondContact O-N 3.19Å; F301-H305 HydrophobicContact CD2-CB 3.98Å; F301-H305 HydrophobicContact CE2-CB 3.99Å; F301-H305 AromaticContact CE2-CD2 3.4Å; F301-H305 VanDerWaalsContact CE2-CD2 3.4Å; F301-H305 WeakPolarHBondContact CE2-CD2 3.42Å; F301-H305 AromaticContact CE2-CG 3.93Å; F301-H305 AromaticContact CZ-CD2 3.75Å; F301-H305 WeakPolarHBondContact O-CA 3.38Å; F301-H305 WeakPolarHBondContact O-CB 3.18Å; F301-H305 PolarHBondContact O-N 3.13Å; F301-K306 HydrophobicContact CD1-CB 4.42Å; F301-K306 HydrophobicContact CE1-CB 4.13Å; F301-K306 HydrophobicContact CE1-CD 4.39Å; F301-K306 HydrophobicContact CE1-CG 4.5Å; F301-K306 PolarHBondContact O-N 2.76Å; F301-L310 HydrophobicContact CZ-CD1 4.22Å
302V97.1Very high95.4Very high1 Ų146.3 Ų46.31%0.00621%0.212CC..Iπ-helixtrans-63.6-50178.7170.80000110.7E269 L272 K298 A299 Q300 K306 L307E269-V302 HydrophobicContact CB-CG2 3.97Å; E269-V302 HydrophobicContact CG-CG1 4.21Å; E269-V302 HydrophobicContact CG-CG2 3.93Å; L272-V302 HydrophobicContact CB-CG1 4.27Å; L272-V302 HydrophobicContact CD1-CB 4.23Å; L272-V302 HydrophobicContact CD1-CG1 4.14Å; K298-V302 HydrophobicContact CG-CG2 4.39Å; K298-V302 WeakPolarHBondContact O-CB 3.4Å; K298-V302 VanDerWaalsContact O-CG2 3.23Å; K298-V302 WeakPolarHBondContact O-CG2 3.31Å; K298-V302 PolarHBondContact O-N 3.41Å; A299-V302 PolarHBondContact O-N 3.37Å; Q300-V302 VanDerWaalsContact C-N 3.32Å; Q300-V302 PolarHBondContact O-N 2.99Å; V302-K306 PolarHBondContact O-N 2.69Å; V302-L307 HydrophobicContact CG1-CD1 3.96Å; V302-L307 HydrophobicContact CG1-CD2 4.47Å; V302-L307 HydrophobicContact CG1-CG 3.9Å; V302-L307 WeakPolarHBondContact O-CB 3.32Å; V302-L307 WeakPolarHBondContact O-CG 3.48Å; V302-L307 PolarHBondContact O-N 2.96Å
303I96.7Very high95.2Very high0 Ų053.5 Ų53.50%024%0.243CC..Iπ-helixtrans-72.5-42-175.8-64.6-68.3000112.2L272 V276 M289 V293 A299 Q300 L307 L308 L322 Y325 L326L272-I303 HydrophobicContact CD1-CD1 4.5Å; L272-I303 HydrophobicContact CD1-CG1 4.29Å; V276-I303 HydrophobicContact CG2-CD1 4.19Å; M289-I303 HydrophobicContact CE-CD1 4.11Å; M289-I303 HydrophobicContact CE-CG1 4.2Å; V293-I303 HydrophobicContact CG1-CB 3.97Å; V293-I303 HydrophobicContact CG1-CG1 3.83Å; V293-I303 HydrophobicContact CG1-CG2 4.18Å; A299-I303 WeakPolarHBondContact O-CB 3.27Å; A299-I303 VanDerWaalsContact O-CG1 3.32Å; A299-I303 WeakPolarHBondContact O-CG1 3.38Å; A299-I303 PolarHBondContact O-N 2.67Å; Q300-I303 PolarHBondContact O-N 2.86Å; I303-L307 HydrophobicContact CD1-CD1 4.15Å; I303-L308 WeakPolarHBondContact O-CD1 3.31Å; I303-L308 WeakPolarHBondContact O-CG 3.35Å; I303-L322 HydrophobicContact CD1-CD2 3.48Å; I303-L322 VanDerWaalsContact CD1-CD2 3.48Å; I303-L322 HydrophobicContact CG2-CD2 4.19Å; I303-Y325 HydrophobicContact CG2-CD1 4.34Å; I303-Y325 HydrophobicContact CG2-CE1 4.43Å; I303-L326 HydrophobicContact CG2-CD1 4.42Å; I303-L326 HydrophobicContact CG2-CD2 4.09Å; I303-L326 HydrophobicContact CG2-CG 4.33Å
304T96.6Very high95.1Very high11 Ų1154.1 Ų54.17%0.06725%0.245CC..Iπ-helixtrans-90-21.2-172.966.30000113.9Q300 L326 L335 V339Q300-T304 HydrophobicContact CG-CG2 4.33Å; Q300-T304 WeakPolarHBondContact O-CB 3.26Å; Q300-T304 WeakPolarHBondContact O-CG2 3.39Å; Q300-T304 PolarHBondContact O-N 3.31Å; Q300-T304 PolarHBondContact O-OG1 3.39Å; T304-L326 HydrophobicContact CG2-CD1 4.16Å; T304-L326 HydrophobicContact CG2-CD2 4.38Å; T304-L335 HydrophobicContact CG2-CB 4.12Å; T304-L335 HydrophobicContact CG2-CD1 4.38Å; T304-V339 HydrophobicContact CG2-CG2 3.92Å; T304-V339 WeakPolarHBondContact O-CG2 3.36Å
305H94.9Very high95Very high65 Ų6557.3 Ų57.330%0.30126%0.258SS..Iπ-helixtrans-128.3-56.8-174.6-166.275.9000112.2F301 L307 L308 L309F301-H305 HydrophobicContact CD2-CB 3.98Å; F301-H305 HydrophobicContact CE2-CB 3.99Å; F301-H305 AromaticContact CE2-CD2 3.4Å; F301-H305 VanDerWaalsContact CE2-CD2 3.4Å; F301-H305 WeakPolarHBondContact CE2-CD2 3.42Å; F301-H305 AromaticContact CE2-CG 3.93Å; F301-H305 AromaticContact CZ-CD2 3.75Å; F301-H305 WeakPolarHBondContact O-CA 3.38Å; F301-H305 WeakPolarHBondContact O-CB 3.18Å; F301-H305 PolarHBondContact O-N 3.13Å; H305-L307 PolarHBondContact O-N 2.87Å; H305-L308 PolarHBondContact O-N 3.5Å; H305-L309 VanDerWaalsContact ND1-CD1 3.33Å; H305-L309 WeakPolarHBondContact ND1-CD1 3.48Å; H305-L309 WeakPolarHBondContact O-CB 3.34Å; H305-L309 PolarHBondContact O-N 3.25Å
306K95.9Very high94.9Very high51 Ų5151.9 Ų51.922%0.22224%0.236CC..Iπ-helixtrans-64.2-49.1-170.7-159.9176.4-164.8-177.80112.8E269 F301 V302 L308 L310 Q311E269-K306 HydrophobicContact CG-CD 4.46Å; E269-K306 WeakPolarHBondContact OE1-CD 3.23Å; E269-K306 VanDerWaalsContact OE1-CE 3.25Å; E269-K306 WeakPolarHBondContact OE1-CE 3.49Å; E269-K306 IonicContact OE1-NZ 3.59Å; E269-K306 PolarHBondContact OE1-NZ 3.08Å; E269-K306 IonicContact OE2-NZ 3.91Å; E269-K306 PolarHBondContact OE2-NZ 3.39Å; F301-K306 HydrophobicContact CD1-CB 4.42Å; F301-K306 HydrophobicContact CE1-CB 4.13Å; F301-K306 HydrophobicContact CE1-CD 4.39Å; F301-K306 HydrophobicContact CE1-CG 4.5Å; F301-K306 PolarHBondContact O-N 2.76Å; V302-K306 PolarHBondContact O-N 2.69Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L310 HydrophobicContact CG-CB 4.31Å; K306-L310 HydrophobicContact CG-CD1 4.26Å; K306-L310 CarbonylContact O-C 3.57Å; K306-L310 WeakPolarHBondContact O-CB 3.34Å; K306-L310 PolarHBondContact O-N 3.01Å; K306-Q311 HydrophobicContact CG-CG 4.28Å; K306-Q311 WeakPolarHBondContact O-CB 3.45Å; K306-Q311 PolarHBondContact O-N 3.38Å
307L95.8Very high94.8Very high2 Ų256.8 Ų56.81%0.0125%0.254CS..Iπ-helixtrans-74.2-23.6-178.8-64.1-179.7000113.1V302 I303 H305 Q311 Y314 L322 Y363V302-L307 HydrophobicContact CG1-CD1 3.96Å; V302-L307 HydrophobicContact CG1-CD2 4.47Å; V302-L307 HydrophobicContact CG1-CG 3.9Å; V302-L307 WeakPolarHBondContact O-CB 3.32Å; V302-L307 WeakPolarHBondContact O-CG 3.48Å; V302-L307 PolarHBondContact O-N 2.96Å; I303-L307 HydrophobicContact CD1-CD1 4.15Å; H305-L307 PolarHBondContact O-N 2.87Å; L307-Q311 VanDerWaalsContact CD2-OE1 3.25Å; L307-Y314 HydrophobicContact CD2-CD2 4.4Å; L307-Y314 HydrophobicContact CD2-CE2 3.45Å; L307-Y314 VanDerWaalsContact CD2-CE2 3.45Å; L307-L322 HydrophobicContact CB-CD1 3.73Å; L307-L322 HydrophobicContact CD1-CD1 4Å; L307-L322 HydrophobicContact CD1-CD2 4.03Å; L307-Y363 PolarHBondContact O-OH 3.01Å
308L95.5Very high94.8Very high0 Ų048.8 Ų48.80%022%0.22CC..Iπ-helixtrans-96.8-32.2-175.4-62.9177.4000113.8I303 H305 K306 L319 L322 L323 V339 Y363I303-L308 WeakPolarHBondContact O-CD1 3.31Å; I303-L308 WeakPolarHBondContact O-CG 3.35Å; H305-L308 PolarHBondContact O-N 3.5Å; K306-L308 VanDerWaalsContact C-N 3.34Å; L308-L319 HydrophobicContact CD2-CD2 3.42Å; L308-L319 VanDerWaalsContact CD2-CD2 3.42Å; L308-L322 HydrophobicContact CD2-CB 4.22Å; L308-L322 HydrophobicContact CD2-CD1 3.88Å; L308-L323 HydrophobicContact CD1-CD2 3.92Å; L308-L323 HydrophobicContact CD2-CD2 4.38Å; L308-L323 HydrophobicContact CD2-CG 4.36Å; L308-V339 HydrophobicContact CD1-CB 4.43Å; L308-V339 HydrophobicContact CD1-CG1 3.49Å; L308-V339 VanDerWaalsContact CD1-CG1 3.49Å; L308-V339 HydrophobicContact CD1-CG2 3.98Å; L308-Y363 VanDerWaalsContact O-CE1 3.29Å; L308-Y363 WeakPolarHBondContact O-CE1 3.37Å
309L92.8Very high94.8Very high14 Ų1446 Ų467%0.07321%0.207CC..Iπ-helixtrans-117.6-35-173-69.4164.7000113.5H305 L343 A346 Q360 V364H305-L309 VanDerWaalsContact ND1-CD1 3.33Å; H305-L309 WeakPolarHBondContact ND1-CD1 3.48Å; H305-L309 WeakPolarHBondContact O-CB 3.34Å; H305-L309 PolarHBondContact O-N 3.25Å; L309-L343 HydrophobicContact CD2-CD2 3.73Å; L309-L343 HydrophobicContact CG-CD2 4.36Å; L309-A346 HydrophobicContact CD2-CB 3.84Å; L309-Q360 PolarHBondContact O-NE2 3.01Å; L309-V364 HydrophobicContact CD2-CG2 4.2Å
310L91.9Very high94.7Very high88 Ų8847.4 Ų47.446%0.46122%0.218SC..Iπ-helixtrans-97.6-28.6-173-56.6-178.1000113.8F301 K306F301-L310 HydrophobicContact CZ-CD1 4.22Å; K306-L310 HydrophobicContact CG-CB 4.31Å; K306-L310 HydrophobicContact CG-CD1 4.26Å; K306-L310 CarbonylContact O-C 3.57Å; K306-L310 WeakPolarHBondContact O-CB 3.34Å; K306-L310 PolarHBondContact O-N 3.01Å
311Q92.8Very high94.6Very high36 Ų3645.1 Ų45.117%0.16821%0.207CC..  trans-115.989.9-178.1-66.8-177.5-2.100110.7E269 K306 L307 K313 Y314E269-Q311 PolarHBondContact OE1-NE2 2.94Å; K306-Q311 HydrophobicContact CG-CG 4.28Å; K306-Q311 WeakPolarHBondContact O-CB 3.45Å; K306-Q311 PolarHBondContact O-N 3.38Å; L307-Q311 VanDerWaalsContact CD2-OE1 3.25Å; Q311-K313 VanDerWaalsContact C-N 3.29Å; Q311-K313 PolarHBondContact O-N 3.4Å; Q311-Y314 HydrophobicContact CB-CD2 4.36Å; Q311-Y314 HydrophobicContact CB-CE2 3.62Å; Q311-Y314 VanDerWaalsContact O-CD2 3.31Å; Q311-Y314 WeakPolarHBondContact O-CD2 3.47Å; Q311-Y314 PolarHBondContact OE1-OH 3.02Å
312Y92.6Very high94.6Very high77 Ų7740.3 Ų40.330%0.30219%0.186SC..THydrogen-bonded Turntrans-89.522.6-175.258.1-89.4000114.8E359 Q360Y312-E359 HydrophobicContact CD2-CB 4.16Å; Y312-E359 HydrophobicContact CE2-CB 4.19Å; Y312-Q360 HydrophobicContact CD1-CB 3.84Å; Y312-Q360 HydrophobicContact CD1-CG 3.74Å; Y312-Q360 HydrophobicContact CD2-CB 4.24Å; Y312-Q360 HydrophobicContact CE1-CB 4.18Å; Y312-Q360 HydrophobicContact CE1-CG 4.33Å; Y312-Q360 HydrophobicContact CG-CB 3.88Å; Y312-Q360 HydrophobicContact CG-CG 4.05Å
313K92.1Very high94.6Very high155 Ų15540.2 Ų40.267%0.67419%0.185SC*.THydrogen-bonded Turntrans-91.9-2.2-176.666.9176.5179.7178.60114.6Q311Q311-K313 VanDerWaalsContact C-N 3.29Å; Q311-K313 PolarHBondContact O-N 3.4Å
314Y94Very high94.5Very high13 Ų1340.5 Ų40.55%0.05119%0.188CC..SBendtrans-93.4155-172.9-56.3-67.6000111.8T273 Q277 L307 Q311 V318 Y363T273-Y314 HydrophobicContact CG2-CE1 4.03Å; T273-Y314 WeakPolarHBondContact CG2-OH 3.36Å; Q277-Y314 HydrophobicContact CG-CD1 3.99Å; Q277-Y314 HydrophobicContact CG-CE1 4.12Å; L307-Y314 HydrophobicContact CD2-CD2 4.4Å; L307-Y314 HydrophobicContact CD2-CE2 3.45Å; L307-Y314 VanDerWaalsContact CD2-CE2 3.45Å; Q311-Y314 HydrophobicContact CB-CD2 4.36Å; Q311-Y314 HydrophobicContact CB-CE2 3.62Å; Q311-Y314 VanDerWaalsContact O-CD2 3.31Å; Q311-Y314 WeakPolarHBondContact O-CD2 3.47Å; Q311-Y314 PolarHBondContact OE1-OH 3.02Å; Y314-V318 HydrophobicContact CD1-CG1 4.41Å; Y314-V318 HydrophobicContact CG-CG1 4.01Å; Y314-Y363 VanDerWaalsContact O-CE2 3.24Å; Y314-Y363 WeakPolarHBondContact O-CE2 3.29Å
315E92.6Very high94.5Very high140 Ų14040 Ų4065%0.65419%0.185SC*.  trans-71.4157.2175.7-64.2174.3-17400111.8R317 V318 L319E315-R317 PolarHBondContact O-N 3.47Å; E315-R317 VanDerWaalsContact O-N 3.16Å; E315-V318 WeakPolarHBondContact O-CB 3.33Å; E315-V318 PolarHBondContact O-N 3.41Å; E315-L319 PolarHBondContact O-N 3.05Å
316T93.2Very high94.6Very high21 Ų2136.9 Ų36.913%0.12917%0.17CC..Hα-helixtrans-57-32.1177.6-49.40000112.5V318 L319 S320 R366 L370 E440 L444T316-V318 VanDerWaalsContact C-N 3.33Å; T316-V318 PolarHBondContact O-N 3.45Å; T316-L319 WeakPolarHBondContact O-CB 3.38Å; T316-L319 PolarHBondContact O-N 2.95Å; T316-S320 PolarHBondContact O-N 2.9Å; T316-R366 HydrophobicContact CG2-CB 4.42Å; T316-R366 WeakPolarHBondContact OG1-CD 3.42Å; T316-R366 PolarHBondContact OG1-NE 3.18Å; T316-L370 HydrophobicContact CG2-CD1 3.96Å; T316-E440 WeakPolarHBondContact CB-OE1 3.2Å; T316-E440 PolarHBondContact OG1-OE1 3.02Å; T316-L444 HydrophobicContact CG2-CD1 4.05Å; T316-L444 HydrophobicContact CG2-CD2 3.5Å; T316-L444 VanDerWaalsContact CG2-CD2 3.5Å; T316-L444 HydrophobicContact CG2-CG 4.44Å
317R93.8Very high94.6Very high126 Ų12634.8 Ų34.848%0.47516%0.163SC..Hα-helixtrans-58-41.9172.5-179.8179.3171.9-179.3-2.4112.8N280 E315 S320 I321N280-R317 VanDerWaalsContact CA-NH2 3.33Å; N280-R317 PolarHBondContact OD1-NH2 2.96Å; E315-R317 PolarHBondContact O-N 3.47Å; E315-R317 VanDerWaalsContact O-N 3.16Å; R317-S320 WeakPolarHBondContact O-CB 3.23Å; R317-S320 PolarHBondContact O-N 3.45Å; R317-I321 HydrophobicContact CG-CD1 3.94Å; R317-I321 WeakPolarHBondContact O-CD1 3.31Å; R317-I321 VanDerWaalsContact O-CG1 3.29Å; R317-I321 WeakPolarHBondContact O-CG1 3.26Å; R317-I321 PolarHBondContact O-N 2.91Å
318V95.1Very high94.4Very high11 Ų1138 Ų387%0.06718%0.178CC..Hα-helixtrans-64.9-42.3178.3163.90000110.7V276 Q277 Y314 E315 T316 S320 I321 L322V276-V318 HydrophobicContact CG1-CG1 3.61Å; Q277-V318 HydrophobicContact CG-CG2 4.17Å; Y314-V318 HydrophobicContact CD1-CG1 4.41Å; Y314-V318 HydrophobicContact CG-CG1 4.01Å; E315-V318 WeakPolarHBondContact O-CB 3.33Å; E315-V318 PolarHBondContact O-N 3.41Å; T316-V318 VanDerWaalsContact C-N 3.33Å; T316-V318 PolarHBondContact O-N 3.45Å; V318-S320 VanDerWaalsContact C-N 3.34Å; V318-S320 PolarHBondContact O-N 2.91Å; V318-I321 PolarHBondContact O-N 3.36Å; V318-L322 HydrophobicContact CG1-CD1 4.14Å; V318-L322 WeakPolarHBondContact O-CG 3.49Å; V318-L322 PolarHBondContact O-N 3.49Å
319L95.8Very high94.3Very high0 Ų040.1 Ų40.10%019%0.189CC..Hα-helixtrans-58.4-46.1173.5-69.7176.5000111.7L308 E315 T316 I321 L322 L323 Y363 R366 A367 L370L308-L319 HydrophobicContact CD2-CD2 3.42Å; L308-L319 VanDerWaalsContact CD2-CD2 3.42Å; E315-L319 PolarHBondContact O-N 3.05Å; T316-L319 WeakPolarHBondContact O-CB 3.38Å; T316-L319 PolarHBondContact O-N 2.95Å; L319-I321 VanDerWaalsContact C-N 3.35Å; L319-I321 PolarHBondContact O-N 3.28Å; L319-L322 PolarHBondContact O-N 3.38Å; L319-L323 WeakPolarHBondContact O-CB 3.29Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.27Å; L319-Y363 HydrophobicContact CD1-CD2 4Å; L319-Y363 HydrophobicContact CD1-CE1 4.42Å; L319-Y363 HydrophobicContact CD1-CE2 3.65Å; L319-Y363 HydrophobicContact CD1-CG 4.48Å; L319-Y363 HydrophobicContact CD2-CE1 3.79Å; L319-Y363 HydrophobicContact CD2-CE2 3.99Å; L319-Y363 WeakPolarHBondContact CD2-OH 3.3Å; L319-Y363 HydrophobicContact CG-CE2 3.85Å; L319-R366 HydrophobicContact CD1-CB 3.97Å; L319-A367 HydrophobicContact CD1-CB 4.06Å; L319-A367 HydrophobicContact CD2-CB 4.04Å; L319-L370 HydrophobicContact CB-CD1 3.68Å
320S95Very high94.3Very high31 Ų3150 Ų5022%0.21723%0.226CC..Hα-helixtrans-60.8-42.5177.8178.60000112T316 R317 V318 G324T316-S320 PolarHBondContact O-N 2.9Å; R317-S320 WeakPolarHBondContact O-CB 3.23Å; R317-S320 PolarHBondContact O-N 3.45Å; V318-S320 VanDerWaalsContact C-N 3.34Å; V318-S320 PolarHBondContact O-N 2.91Å; S320-G324 WeakPolarHBondContact O-CA 3.49Å; S320-G324 PolarHBondContact O-N 2.92Å
321I95.7Very high94.4Very high4 Ų451.7 Ų51.72%0.02123%0.231CC..Hα-helixtrans-62.6-44.8175.9-69.1159000111.7V276 V279 L285 R317 V318 L319 Y325V276-I321 HydrophobicContact CG1-CG2 4.46Å; V279-I321 WeakPolarHBondContact O-CD1 3.49Å; L285-I321 HydrophobicContact CB-CG2 4.05Å; L285-I321 HydrophobicContact CD2-CG2 3.54Å; L285-I321 HydrophobicContact CG-CG2 4.35Å; R317-I321 HydrophobicContact CG-CD1 3.94Å; R317-I321 WeakPolarHBondContact O-CD1 3.31Å; R317-I321 VanDerWaalsContact O-CG1 3.29Å; R317-I321 WeakPolarHBondContact O-CG1 3.26Å; R317-I321 PolarHBondContact O-N 2.91Å; V318-I321 PolarHBondContact O-N 3.36Å; L319-I321 VanDerWaalsContact C-N 3.35Å; L319-I321 PolarHBondContact O-N 3.28Å; I321-Y325 VanDerWaalsContact O-CB 3.26Å; I321-Y325 WeakPolarHBondContact O-CB 3.3Å; I321-Y325 PolarHBondContact O-N 3.4Å
322L96.7Very high94.6Very high0 Ų050.2 Ų50.20%022%0.224CC..Hα-helixtrans-65.3-50.1-179.9-72.1172.4000112.2V276 I303 L307 L308 V318 L319 Y325 L326V276-L322 HydrophobicContact CB-CD2 4.24Å; V276-L322 HydrophobicContact CG1-CD1 4.21Å; V276-L322 HydrophobicContact CG1-CD2 3.58Å; V276-L322 HydrophobicContact CG1-CG 3.65Å; V276-L322 HydrophobicContact CG2-CD2 3.62Å; I303-L322 HydrophobicContact CD1-CD2 3.48Å; I303-L322 VanDerWaalsContact CD1-CD2 3.48Å; I303-L322 HydrophobicContact CG2-CD2 4.19Å; L307-L322 HydrophobicContact CB-CD1 3.73Å; L307-L322 HydrophobicContact CD1-CD1 4Å; L307-L322 HydrophobicContact CD1-CD2 4.03Å; L308-L322 HydrophobicContact CD2-CB 4.22Å; L308-L322 HydrophobicContact CD2-CD1 3.88Å; V318-L322 HydrophobicContact CG1-CD1 4.14Å; V318-L322 WeakPolarHBondContact O-CG 3.49Å; V318-L322 PolarHBondContact O-N 3.49Å; L319-L322 PolarHBondContact O-N 3.38Å; L322-Y325 WeakPolarHBondContact O-CB 3.42Å; L322-Y325 PolarHBondContact O-N 3.02Å; L322-L326 PolarHBondContact O-N 3.43Å; L322-L326 VanDerWaalsContact O-N 3.12Å
323L96.8Very high94.7Very high0 Ų050.4 Ų50.40%022%0.224CC..Hα-helixtrans-69-40.5-178.4-65.2168.2000110.7L308 L319 Y325 L326 A327 L336 V339 A367 L370 C371 L374L308-L323 HydrophobicContact CD1-CD2 3.92Å; L308-L323 HydrophobicContact CD2-CD2 4.38Å; L308-L323 HydrophobicContact CD2-CG 4.36Å; L319-L323 WeakPolarHBondContact O-CB 3.29Å; L319-L323 WeakPolarHBondContact O-CG 3.48Å; L319-L323 PolarHBondContact O-N 3.27Å; L323-Y325 VanDerWaalsContact C-N 3.32Å; L323-Y325 PolarHBondContact O-N 3.06Å; L323-L326 PolarHBondContact O-N 3.01Å; L323-L326 VanDerWaalsContact O-N 3.12Å; L323-A327 WeakPolarHBondContact O-CB 3.3Å; L323-A327 PolarHBondContact O-N 2.8Å; L323-L336 HydrophobicContact CB-CD1 4.43Å; L323-L336 HydrophobicContact CD2-CD1 4.06Å; L323-V339 HydrophobicContact CD2-CG1 3.74Å; L323-A367 WeakPolarHBondContact CD1-O 3.4Å; L323-L370 HydrophobicContact CD1-CB 3.56Å; L323-L370 HydrophobicContact CD1-CD1 4.48Å; L323-C371 HydrophobicContact CD1-CB 4.11Å; L323-C371 HydrophobicContact CD2-CB 4.08Å; L323-L374 VanDerWaalsContact C-CD1 3.43Å; L323-L374 HydrophobicContact CB-CD1 3.51Å
324G95.4Very high94.9Very high5 Ų547 Ų475%0.05222%0.217CC..Hα-helixtrans-60.2-41172.600000112.1S320 L326 A327 Q328S320-G324 WeakPolarHBondContact O-CA 3.49Å; S320-G324 PolarHBondContact O-N 2.92Å; G324-L326 VanDerWaalsContact C-N 3.34Å; G324-L326 PolarHBondContact O-N 3.42Å; G324-A327 PolarHBondContact O-N 3.11Å; G324-A327 VanDerWaalsContact O-N 3.17Å; G324-Q328 VanDerWaalsContact O-CG 3.23Å; G324-Q328 WeakPolarHBondContact O-CG 3.38Å; G324-Q328 PolarHBondContact O-N 3.12Å; G324-Q328 VanDerWaalsContact O-N 3.1Å
325Y96.4Very high95Very high0 Ų046.9 Ų46.90%022%0.218CC..Hα-helixtrans-57.9-44.6172.5164.2-91.9000111.5L285 M289 G290 V293 I303 I321 L322 L323 A327 R332L285-Y325 HydrophobicContact CB-CD2 4.38Å; L285-Y325 HydrophobicContact CD2-CD2 4.18Å; L285-Y325 HydrophobicContact CD2-CG 4.02Å; L285-Y325 HydrophobicContact CG-CD2 3.98Å; L285-Y325 HydrophobicContact CG-CG 4.33Å; M289-Y325 HydrophobicContact CB-CE2 3.64Å; M289-Y325 HydrophobicContact CE-CE1 4.36Å; M289-Y325 HydrophobicContact CE-CE2 4.47Å; M289-Y325 HydrophobicContact SD-CE2 4.35Å; G290-Y325 WeakPolarHBondContact O-CE2 3.34Å; G290-Y325 PolarHBondContact O-OH 3.45Å; V293-Y325 HydrophobicContact CG1-CE1 3.78Å; V293-Y325 HydrophobicContact CG2-CE1 3.93Å; I303-Y325 HydrophobicContact CG2-CD1 4.34Å; I303-Y325 HydrophobicContact CG2-CE1 4.43Å; I321-Y325 VanDerWaalsContact O-CB 3.26Å; I321-Y325 WeakPolarHBondContact O-CB 3.3Å; I321-Y325 PolarHBondContact O-N 3.4Å; L322-Y325 WeakPolarHBondContact O-CB 3.42Å; L322-Y325 PolarHBondContact O-N 3.02Å; L323-Y325 VanDerWaalsContact C-N 3.32Å; L323-Y325 PolarHBondContact O-N 3.06Å; Y325-A327 VanDerWaalsContact C-N 3.32Å; Y325-A327 PolarHBondContact O-N 3Å; Y325-R332 PolarHBondContact O-NH1 3.49Å
326L96.9Very high95.2Very high0 Ų040.3 Ų40.30%019%0.187CC..Hα-helixtrans-67.9-31.5177.2-63.9175.9000112.9V293 I303 T304 L322 L323 G324 R332 L335 L336 V339V293-L326 HydrophobicContact CG2-CD2 4.41Å; I303-L326 HydrophobicContact CG2-CD1 4.42Å; I303-L326 HydrophobicContact CG2-CD2 4.09Å; I303-L326 HydrophobicContact CG2-CG 4.33Å; T304-L326 HydrophobicContact CG2-CD1 4.16Å; T304-L326 HydrophobicContact CG2-CD2 4.38Å; L322-L326 PolarHBondContact O-N 3.43Å; L322-L326 VanDerWaalsContact O-N 3.12Å; L323-L326 PolarHBondContact O-N 3.01Å; L323-L326 VanDerWaalsContact O-N 3.12Å; G324-L326 VanDerWaalsContact C-N 3.34Å; G324-L326 PolarHBondContact O-N 3.42Å; L326-R332 CarbonylContact O-C 3.43Å; L326-R332 WeakPolarHBondContact O-CB 3.15Å; L326-L335 HydrophobicContact CD2-CB 4.2Å; L326-L335 HydrophobicContact CD2-CD1 4.38Å; L326-L336 HydrophobicContact CB-CB 4.06Å; L326-L336 HydrophobicContact CB-CD1 4.04Å; L326-V339 HydrophobicContact CD1-CG2 3.87Å
327A95Very high95.3Very high8 Ų840.5 Ų40.57%0.06619%0.187CC..Hα-helixtrans-78.3-24.2-176.700000114.7L323 G324 Y325 D329 R333 L336 L374L323-A327 WeakPolarHBondContact O-CB 3.3Å; L323-A327 PolarHBondContact O-N 2.8Å; G324-A327 PolarHBondContact O-N 3.11Å; G324-A327 VanDerWaalsContact O-N 3.17Å; Y325-A327 VanDerWaalsContact C-N 3.32Å; Y325-A327 PolarHBondContact O-N 3Å; A327-D329 PolarHBondContact O-N 3.39Å; A327-R333 PolarHBondContact O-NE 3.48Å; A327-R333 PolarHBondContact O-NH2 3.03Å; A327-R333 VanDerWaalsContact O-NH2 3.14Å; A327-L336 HydrophobicContact CB-CD2 3.82Å; A327-L374 HydrophobicContact CB-CB 4.08Å; A327-L374 HydrophobicContact CB-CD1 4.23Å; A327-L374 HydrophobicContact CB-CD2 4.34Å; A327-L374 HydrophobicContact CB-CG 4.46Å
328Q92.2Very high95.5Very high70 Ų7039.2 Ų39.233%0.32719%0.187SC..SBendtrans-73.4-25.6-169.9-84.6178.29.300115.7P282 D283 S286 G324P282-Q328 VanDerWaalsContact C-NE2 3.35Å; P282-Q328 PolarHBondContact O-OE1 3.34Å; D283-Q328 VanDerWaalsContact N-NE2 3.11Å; D283-Q328 VanDerWaalsContact OD1-CD 3.29Å; D283-Q328 PolarHBondContact OD1-NE2 2.89Å; S286-Q328 PolarHBondContact OG-OE1 3.34Å; G324-Q328 VanDerWaalsContact O-CG 3.23Å; G324-Q328 WeakPolarHBondContact O-CG 3.38Å; G324-Q328 PolarHBondContact O-N 3.12Å; G324-Q328 VanDerWaalsContact O-N 3.1Å
329D92.6Very high95.6Very high44 Ų4438.8 Ų38.824%0.23518%0.184CC..SBendtrans-121.5135.1-176.8-174-24.2000110.6N291 A327 E331 R332 R333N291-D329 PolarHBondContact ND2-OD2 3.02Å; N291-D329 PolarHBondContact OD1-OD2 3.37Å; N291-D329 VanDerWaalsContact OD1-OD2 3.06Å; A327-D329 PolarHBondContact O-N 3.39Å; D329-E331 PolarHBondContact O-N 2.66Å; D329-E331 PolarHBondContact OD1-N 3.35Å; D329-R332 HydrophobicContact CB-CB 4.44Å; D329-R332 HydrophobicContact CB-CG 4.49Å; D329-R332 VanDerWaalsContact CB-NE 3.33Å; D329-R332 PolarHBondContact O-N 3.3Å; D329-R332 IonicContact OD2-NE 2.8Å; D329-R332 IonicContact OD2-NH2 2.68Å; D329-R332 PolarHBondContact OD2-NH2 3.37Å; D329-R333 WeakPolarHBondContact O-CG 3.49Å; D329-R333 PolarHBondContact O-N 3.2Å; D329-R333 VanDerWaalsContact O-N 3.11Å
330R93.1Very high95.6Very high222 Ų22239 Ų3984%0.83819%0.185SC*.THydrogen-bonded Turntrans-56.7-36.2-179-64.7-176.6178.3-174.6-1.1111.9R332R330-R332 VanDerWaalsContact C-N 3.28Å; R330-R332 PolarHBondContact O-N 3.07Å
331E95Very high95.7Very high123 Ų12342.9 Ų42.958%0.57520%0.195SC*.THydrogen-bonded Turntrans-70.8-25.3179.2-60.7-173.2163.800112.6N291 L294 D329N291-E331 PolarHBondContact ND2-OE2 2.97Å; L294-E331 HydrophobicContact CD1-CB 3.52Å; D329-E331 PolarHBondContact O-N 2.66Å; D329-E331 PolarHBondContact OD1-N 3.35Å
332R95.8Very high95.8Very high5 Ų544 Ų442%0.01920%0.203CC..THydrogen-bonded Turntrans-91.1-19.4180-71.7179.1-87.7157.9-3.5113.1S286 N291 V293 L294 Y325 L326 D329 R330 P334 L335 L336S286-R332 PolarHBondContact OG-NH1 3.36Å; S286-R332 PolarHBondContact OG-NH2 3.31Å; N291-R332 WeakPolarHBondContact OD1-CD 3.42Å; N291-R332 PolarHBondContact OD1-NE 3.23Å; V293-R332 HydrophobicContact CG2-CG 3.98Å; L294-R332 HydrophobicContact CD1-CG 4.29Å; L294-R332 HydrophobicContact CG-CG 4.33Å; Y325-R332 PolarHBondContact O-NH1 3.49Å; L326-R332 CarbonylContact O-C 3.43Å; L326-R332 WeakPolarHBondContact O-CB 3.15Å; D329-R332 HydrophobicContact CB-CB 4.44Å; D329-R332 HydrophobicContact CB-CG 4.49Å; D329-R332 VanDerWaalsContact CB-NE 3.33Å; D329-R332 PolarHBondContact O-N 3.3Å; D329-R332 IonicContact OD2-NE 2.8Å; D329-R332 IonicContact OD2-NH2 2.68Å; D329-R332 PolarHBondContact OD2-NH2 3.37Å; R330-R332 VanDerWaalsContact C-N 3.28Å; R330-R332 PolarHBondContact O-N 3.07Å; R332-P334 VanDerWaalsContact C-CD 3.45Å; R332-L335 WeakPolarHBondContact O-CA 3.38Å; R332-L335 VanDerWaalsContact O-CB 3.24Å; R332-L335 WeakPolarHBondContact O-CB 3.42Å; R332-L335 PolarHBondContact O-N 2.93Å; R332-L336 PolarHBondContact O-N 3.46Å
333R95Very high95.8Very high80 Ų8044 Ų4430%0.30220%0.203SC..Hα-helixtrans-54.9-37.1-179.9-69.5-143.8176.4153.8-3.6115.9A327 D329 L335 L336 I337 E379A327-R333 PolarHBondContact O-NE 3.48Å; A327-R333 PolarHBondContact O-NH2 3.03Å; A327-R333 VanDerWaalsContact O-NH2 3.14Å; D329-R333 WeakPolarHBondContact O-CG 3.49Å; D329-R333 PolarHBondContact O-N 3.2Å; D329-R333 VanDerWaalsContact O-N 3.11Å; R333-L335 PolarHBondContact O-N 2.98Å; R333-L336 WeakPolarHBondContact O-CA 3.44Å; R333-L336 WeakPolarHBondContact O-CB 3.3Å; R333-L336 PolarHBondContact O-N 2.88Å; R333-I337 PolarHBondContact O-N 3Å; R333-E379 WeakPolarHBondContact CD-OE1 3.31Å; R333-E379 IonicContact NE-OE1 3.98Å; R333-E379 IonicContact NH1-OE1 3.64Å
334P95.9Very high95.7Very high83 Ų8344.7 Ų44.754%0.53921%0.207SC..Hα-helixtrans-57.9-32172.9-26.635.9000113.3R332 I337 Q338R332-P334 VanDerWaalsContact C-CD 3.45Å; P334-I337 PolarHBondContact O-N 3.34Å; P334-Q338 PolarHBondContact O-N 2.92Å
335L97.1Very high95.7Very high12 Ų1251.5 Ų51.56%0.06324%0.238CC..Hα-helixtrans-71.2-36.2173.8-60.7179.9000112V293 L294 Q300 T304 L326 R332 R333 I337 Q338 V339V293-L335 HydrophobicContact CB-CD1 4.13Å; V293-L335 HydrophobicContact CG2-CD1 3.71Å; L294-L335 HydrophobicContact CD2-CD1 3.72Å; L294-L335 HydrophobicContact CD2-CG 4.25Å; Q300-L335 HydrophobicContact CG-CD1 4.13Å; Q300-L335 HydrophobicContact CG-CD2 4.03Å; T304-L335 HydrophobicContact CG2-CB 4.12Å; T304-L335 HydrophobicContact CG2-CD1 4.38Å; L326-L335 HydrophobicContact CD2-CB 4.2Å; L326-L335 HydrophobicContact CD2-CD1 4.38Å; R332-L335 WeakPolarHBondContact O-CA 3.38Å; R332-L335 VanDerWaalsContact O-CB 3.24Å; R332-L335 WeakPolarHBondContact O-CB 3.42Å; R332-L335 PolarHBondContact O-N 2.93Å; R333-L335 PolarHBondContact O-N 2.98Å; L335-I337 VanDerWaalsContact C-N 3.33Å; L335-Q338 WeakPolarHBondContact O-CB 3.32Å; L335-Q338 PolarHBondContact O-N 3.45Å; L335-V339 WeakPolarHBondContact O-CB 3.47Å; L335-V339 VanDerWaalsContact O-CG2 3.25Å; L335-V339 WeakPolarHBondContact O-CG2 3.14Å; L335-V339 PolarHBondContact O-N 2.86Å
336L96.8Very high95.6Very high1 Ų153.2 Ų53.21%0.00525%0.252CS..Hα-helixtrans-60.8-44.2173.1-175.872.6000110.9L323 L326 A327 R332 R333 Q338 V339 L340 C371 L374 L375L323-L336 HydrophobicContact CB-CD1 4.43Å; L323-L336 HydrophobicContact CD2-CD1 4.06Å; L326-L336 HydrophobicContact CB-CB 4.06Å; L326-L336 HydrophobicContact CB-CD1 4.04Å; A327-L336 HydrophobicContact CB-CD2 3.82Å; R332-L336 PolarHBondContact O-N 3.46Å; R333-L336 WeakPolarHBondContact O-CA 3.44Å; R333-L336 WeakPolarHBondContact O-CB 3.3Å; R333-L336 PolarHBondContact O-N 2.88Å; L336-Q338 VanDerWaalsContact C-N 3.34Å; L336-Q338 PolarHBondContact O-N 3.45Å; L336-V339 WeakPolarHBondContact O-CB 3.46Å; L336-V339 PolarHBondContact O-N 3.5Å; L336-L340 PolarHBondContact O-N 2.81Å; L336-C371 VanDerWaalsContact CD1-SG 3.58Å; L336-L374 HydrophobicContact CD2-CB 4.44Å; L336-L375 HydrophobicContact CD2-CD2 4.39Å
337I95.9Very high95.6Very high25 Ų2553.5 Ų53.513%0.12825%0.253CS..Hα-helixtrans-63.9-40.9176.7-61.7172000110.8R333 P334 L335 V339 L340 R341 L383R333-I337 PolarHBondContact O-N 3Å; P334-I337 PolarHBondContact O-N 3.34Å; L335-I337 VanDerWaalsContact C-N 3.33Å; I337-V339 VanDerWaalsContact C-N 3.34Å; I337-V339 PolarHBondContact O-N 3.23Å; I337-L340 WeakPolarHBondContact O-CB 3.38Å; I337-L340 PolarHBondContact O-N 3.29Å; I337-R341 WeakPolarHBondContact O-CG 3.16Å; I337-R341 PolarHBondContact O-N 2.83Å; I337-L383 HydrophobicContact CG1-CD1 4.19Å; I337-L383 HydrophobicContact CG2-CD1 3.96Å; I337-L383 HydrophobicContact CG2-CD2 3.96Å
338Q96.4Very high95.6Very high100 Ų10054 Ų5447%0.46726%0.258SS..Hα-helixtrans-60.7-43.8173.5-176-174-4.100111.8P334 L335 L336 R341 S342P334-Q338 PolarHBondContact O-N 2.92Å; L335-Q338 WeakPolarHBondContact O-CB 3.32Å; L335-Q338 PolarHBondContact O-N 3.45Å; L336-Q338 VanDerWaalsContact C-N 3.34Å; L336-Q338 PolarHBondContact O-N 3.45Å; Q338-R341 PolarHBondContact O-N 3.3Å; Q338-S342 PolarHBondContact O-N 3.44Å; Q338-S342 VanDerWaalsContact O-N 3.08Å; Q338-S342 PolarHBondContact O-OG 2.93Å
339V97.7Very high95.7Very high1 Ų154 Ų541%0.00626%0.26CS..Hα-helixtrans-59.4-48.6175.5165.20000110.3T304 L308 L323 L326 L335 L336 I337 R341 S342 L343T304-V339 HydrophobicContact CG2-CG2 3.92Å; T304-V339 WeakPolarHBondContact O-CG2 3.36Å; L308-V339 HydrophobicContact CD1-CB 4.43Å; L308-V339 HydrophobicContact CD1-CG1 3.49Å; L308-V339 VanDerWaalsContact CD1-CG1 3.49Å; L308-V339 HydrophobicContact CD1-CG2 3.98Å; L323-V339 HydrophobicContact CD2-CG1 3.74Å; L326-V339 HydrophobicContact CD1-CG2 3.87Å; L335-V339 WeakPolarHBondContact O-CB 3.47Å; L335-V339 VanDerWaalsContact O-CG2 3.25Å; L335-V339 WeakPolarHBondContact O-CG2 3.14Å; L335-V339 PolarHBondContact O-N 2.86Å; L336-V339 WeakPolarHBondContact O-CB 3.46Å; L336-V339 PolarHBondContact O-N 3.5Å; I337-V339 VanDerWaalsContact C-N 3.34Å; I337-V339 PolarHBondContact O-N 3.23Å; V339-R341 VanDerWaalsContact C-N 3.34Å; V339-R341 PolarHBondContact O-N 2.89Å; V339-S342 WeakPolarHBondContact CA-OG 3.34Å; V339-S342 PolarHBondContact O-N 2.95Å; V339-S342 VanDerWaalsContact O-N 3.1Å; V339-S342 PolarHBondContact O-OG 3.34Å; V339-L343 HydrophobicContact CG1-CD1 3.6Å; V339-L343 HydrophobicContact CG1-CG 4.18Å; V339-L343 WeakPolarHBondContact O-CG 3.16Å; V339-L343 PolarHBondContact O-N 3.28Å
340L97.1Very high95.7Very high4 Ų455.1 Ų55.12%0.02127%0.269CS..Hα-helixtrans-54.8-49.4177.9-178.869.5000111.7L336 I337 S342 L343 C344 L368 C371 V372 L375 L383 L387L336-L340 PolarHBondContact O-N 2.81Å; I337-L340 WeakPolarHBondContact O-CB 3.38Å; I337-L340 PolarHBondContact O-N 3.29Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 2.8Å; L340-L343 PolarHBondContact O-N 3.39Å; L340-C344 WeakPolarHBondContact O-CB 3.5Å; L340-C344 PolarHBondContact O-N 2.68Å; L340-C344 PolarHBondContact O-SG 2.89Å; L340-L368 HydrophobicContact CD1-CD1 3.79Å; L340-C371 HydrophobicContact CD1-CB 4.19Å; L340-V372 HydrophobicContact CD1-CG2 3.46Å; L340-V372 VanDerWaalsContact CD1-CG2 3.46Å; L340-L375 HydrophobicContact CD2-CD1 3.76Å; L340-L375 HydrophobicContact CD2-CD2 4.4Å; L340-L383 HydrophobicContact CD2-CD1 3.84Å; L340-L387 HydrophobicContact CD1-CD2 4.18Å; L340-L387 HydrophobicContact CD2-CD2 4.13Å; L340-L387 HydrophobicContact CG-CD2 4.39Å
341R96.5Very high95.6Very high114 Ų11447.8 Ų47.843%0.4325%0.252SS..Hα-helixtrans-57.7-42.8177.7-74.1175.5172.3147.90.3112I337 Q338 V339 C344 Q345 E386I337-R341 WeakPolarHBondContact O-CG 3.16Å; I337-R341 PolarHBondContact O-N 2.83Å; Q338-R341 PolarHBondContact O-N 3.3Å; V339-R341 VanDerWaalsContact C-N 3.34Å; V339-R341 PolarHBondContact O-N 2.89Å; R341-C344 PolarHBondContact O-N 3.4Å; R341-Q345 WeakPolarHBondContact O-CB 3.44Å; R341-Q345 PolarHBondContact O-N 3.37Å; R341-E386 WeakPolarHBondContact CG-OE2 3.28Å; R341-E386 IonicContact CZ-OE1 3.52Å; R341-E386 IonicContact CZ-OE2 3.69Å; R341-E386 IonicContact NE-OE1 3.38Å; R341-E386 PolarHBondContact NE-OE1 3.28Å; R341-E386 IonicContact NE-OE2 2.81Å; R341-E386 PolarHBondContact NE-OE2 3.4Å; R341-E386 IonicContact NH2-OE1 2.82Å; R341-E386 PolarHBondContact NH2-OE1 2.9Å; R341-E386 IonicContact NH2-OE2 3.69Å
342S96.8Very high95.3Very high27 Ų2742.9 Ų42.919%0.18923%0.233CC..Hα-helixtrans-68-37.5177.969.10000113.1Q338 V339 L340 Q345 A346Q338-S342 PolarHBondContact O-N 3.44Å; Q338-S342 VanDerWaalsContact O-N 3.08Å; Q338-S342 PolarHBondContact O-OG 2.93Å; V339-S342 WeakPolarHBondContact CA-OG 3.34Å; V339-S342 PolarHBondContact O-N 2.95Å; V339-S342 VanDerWaalsContact O-N 3.1Å; V339-S342 PolarHBondContact O-OG 3.34Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 2.8Å; S342-Q345 PolarHBondContact O-N 3.21Å; S342-A346 WeakPolarHBondContact O-CB 3.21Å; S342-A346 PolarHBondContact O-N 3.19Å
343L96.9Very high95.1Very high0 Ų043.1 Ų43.10%024%0.235CC..Hα-helixtrans-66.1-45.3174.3-71.5167.5000110.9L309 V339 L340 Q345 A346 W347 V364 A367 L368 C371L309-L343 HydrophobicContact CD2-CD2 3.73Å; L309-L343 HydrophobicContact CG-CD2 4.36Å; V339-L343 HydrophobicContact CG1-CD1 3.6Å; V339-L343 HydrophobicContact CG1-CG 4.18Å; V339-L343 WeakPolarHBondContact O-CG 3.16Å; V339-L343 PolarHBondContact O-N 3.28Å; L340-L343 PolarHBondContact O-N 3.39Å; L343-Q345 PolarHBondContact O-N 3.07Å; L343-A346 PolarHBondContact O-N 3.05Å; L343-W347 WeakPolarHBondContact O-CB 3.34Å; L343-W347 PolarHBondContact O-N 3.33Å; L343-V364 HydrophobicContact CD2-CG1 4.05Å; L343-A367 HydrophobicContact CD1-CB 4.1Å; L343-A367 HydrophobicContact CD2-CB 3.73Å; L343-L368 HydrophobicContact CB-CB 4.38Å; L343-L368 HydrophobicContact CB-CD1 4.12Å; L343-C371 HydrophobicContact CD1-CB 4Å
344C96.2Very high94.9Very high14 Ų1448.6 Ų48.610%0.09526%0.255CS..Hα-helixtrans-58.1-47.6174.7-73.40000111.7L340 R341 A346 W347 A348 C390L340-C344 WeakPolarHBondContact O-CB 3.5Å; L340-C344 PolarHBondContact O-N 2.68Å; L340-C344 PolarHBondContact O-SG 2.89Å; R341-C344 PolarHBondContact O-N 3.4Å; C344-A346 PolarHBondContact O-N 3.21Å; C344-W347 PolarHBondContact O-N 3.35Å; C344-A348 VanDerWaalsContact O-CB 3.23Å; C344-A348 WeakPolarHBondContact O-CB 3.3Å; C344-A348 PolarHBondContact O-N 3.44Å; C344-C390 WeakPolarHBondContact CA-SG 3.44Å; C344-C390 HydrophobicContact CB-CB 3.79Å; C344-C390 WeakPolarHBondContact CB-SG 3.15Å; C344-C390 PolarHBondContact SG-SG 2.63Å
345Q94.7Very high94.6Very high148 Ų14851.8 Ų51.869%0.69226%0.263SS*.Hα-helixtrans-63.2-41.8178.4-173.1-179.89.300111.9R341 S342 L343 N349R341-Q345 WeakPolarHBondContact O-CB 3.44Å; R341-Q345 PolarHBondContact O-N 3.37Å; S342-Q345 PolarHBondContact O-N 3.21Å; L343-Q345 PolarHBondContact O-N 3.07Å; Q345-N349 VanDerWaalsContact O-CB 3.25Å; Q345-N349 WeakPolarHBondContact O-CB 3.25Å; Q345-N349 PolarHBondContact O-N 3.27Å
346A94.5Very high94.3Very high36 Ų3653.1 Ų53.130%0.29827%0.272SS..Hα-helixtrans-68-44178.100000112L309 S342 L343 C344 A352 V364L309-A346 HydrophobicContact CD2-CB 3.84Å; S342-A346 WeakPolarHBondContact O-CB 3.21Å; S342-A346 PolarHBondContact O-N 3.19Å; L343-A346 PolarHBondContact O-N 3.05Å; C344-A346 PolarHBondContact O-N 3.21Å; A346-A352 WeakPolarHBondContact O-CB 3.18Å; A346-V364 HydrophobicContact CB-CG1 4.32Å
347W96.3Very high94.1Very high6 Ų655.6 Ų55.62%0.02329%0.288CS..Hα-helixtrans-71.1-38-176.9-174.182.5000113.2L343 C344 V364 S365 L368 H398 V413L343-W347 WeakPolarHBondContact O-CB 3.34Å; L343-W347 PolarHBondContact O-N 3.33Å; C344-W347 PolarHBondContact O-N 3.35Å; W347-V364 HydrophobicContact CB-CG1 4.02Å; W347-S365 VanDerWaalsContact CD1-OG 3.26Å; W347-S365 PolarHBondContact NE1-OG 2.7Å; W347-L368 HydrophobicContact CB-CD2 4.07Å; W347-L368 HydrophobicContact CD2-CD2 3.88Å; W347-L368 HydrophobicContact CE3-CD2 4.13Å; W347-L368 HydrophobicContact CG-CD2 3.83Å; W347-H398 AromaticContact CD1-NE2 3.94Å; W347-H398 AromaticContact CD2-NE2 3.95Å; W347-H398 AromaticContact CE2-CD2 3.82Å; W347-H398 AromaticContact CE2-NE2 3.5Å; W347-H398 AromaticContact CZ2-CD2 3.68Å; W347-H398 AromaticContact CZ2-NE2 3.85Å; W347-H398 AromaticContact NE1-NE2 3.52Å; W347-H398 PolarHBondContact O-NE2 2.85Å; W347-V413 HydrophobicContact CD2-CG1 4.46Å; W347-V413 HydrophobicContact CH2-CB 4.2Å; W347-V413 HydrophobicContact CH2-CG1 3.81Å; W347-V413 HydrophobicContact CZ2-CB 3.57Å; W347-V413 HydrophobicContact CZ2-CG1 3.42Å; W347-V413 VanDerWaalsContact CZ2-CG1 3.42Å; W347-V413 HydrophobicContact CZ2-CG2 4.18Å; W347-V413 HydrophobicContact CZ3-CG1 4.46Å
348A95.4Very high94Very high20 Ų2056 Ų5617%0.16529%0.29CS..Hα-helixtrans-88.7-4.5-177.200000114.5C344 P350C344-A348 VanDerWaalsContact O-CB 3.23Å; C344-A348 WeakPolarHBondContact O-CB 3.3Å; C344-A348 PolarHBondContact O-N 3.44Å; A348-P350 WeakPolarHBondContact O-CD 3.46Å
349N94.3Very high93.8Very high70 Ų7056.8 Ų56.837%0.37429%0.294SS..  trans-74.7118.1-178.3179.9-14.4000111.1Q345 S351 A352 V353Q345-N349 VanDerWaalsContact O-CB 3.25Å; Q345-N349 WeakPolarHBondContact O-CB 3.25Å; Q345-N349 PolarHBondContact O-N 3.27Å; N349-S351 PolarHBondContact O-N 3.1Å; N349-S351 WeakPolarHBondContact OD1-CB 3.41Å; N349-S351 PolarHBondContact OD1-N 3.36Å; N349-A352 HydrophobicContact CB-CB 3.87Å; N349-A352 WeakPolarHBondContact O-CA 3.36Å; N349-A352 WeakPolarHBondContact O-CB 3.26Å; N349-A352 PolarHBondContact O-N 2.59Å; N349-V353 PolarHBondContact O-N 3.4Å
350P92.3Very high93.7Very high66 Ų6658.7 Ų58.743%0.42930%0.302SS..Hα-helixtrans-58.1-33.9-179.3-21.730.3000113.6A348 R354A348-P350 WeakPolarHBondContact O-CD 3.46Å; P350-R354 VanDerWaalsContact O-CG 3.31Å; P350-R354 WeakPolarHBondContact O-CG 3.49Å; P350-R354 PolarHBondContact O-N 2.76Å
351S91.5Very high93.6Very high68 Ų6859.2 Ų59.248%0.47631%0.305SS..Hα-helixtrans-68.9-37176.1-172.70000111.4N349 R354 H355N349-S351 PolarHBondContact O-N 3.1Å; N349-S351 WeakPolarHBondContact OD1-CB 3.41Å; N349-S351 PolarHBondContact OD1-N 3.36Å; S351-R354 PolarHBondContact O-N 3.03Å; S351-H355 WeakPolarHBondContact O-CB 3.24Å; S351-H355 PolarHBondContact O-CD2 3.43Å; S351-H355 VanDerWaalsContact O-CD2 3.27Å; S351-H355 PolarHBondContact O-N 3.33Å
352A88.8Confident93.5Very high21 Ų2154.3 Ų54.317%0.17429%0.287CS..Hα-helixtrans-67-46.7177.600000110.4A346 N349 R354 H355 T356A346-A352 WeakPolarHBondContact O-CB 3.18Å; N349-A352 HydrophobicContact CB-CB 3.87Å; N349-A352 WeakPolarHBondContact O-CA 3.36Å; N349-A352 WeakPolarHBondContact O-CB 3.26Å; N349-A352 PolarHBondContact O-N 2.59Å; A352-R354 PolarHBondContact O-N 3.36Å; A352-H355 PolarHBondContact O-N 2.9Å; A352-T356 HydrophobicContact CB-CG2 4.21Å; A352-T356 VanDerWaalsContact O-CB 3.31Å; A352-T356 WeakPolarHBondContact O-CB 3.4Å; A352-T356 WeakPolarHBondContact O-CG2 3.3Å; A352-T356 PolarHBondContact O-N 3.06Å; A352-T356 PolarHBondContact O-OG1 3.12Å
353V91.8Very high93.5Very high10 Ų1053.1 Ų53.16%0.06128%0.279CS..Hα-helixtrans-58-33.8177.7-1800000112.4N349 Q361 H398 V406N349-V353 PolarHBondContact O-N 3.4Å; V353-Q361 PolarHBondContact O-NE2 3.27Å; V353-H398 WeakPolarHBondContact CG2-NE2 3.42Å; V353-V406 HydrophobicContact CG1-CG1 3.76Å
354R89.6Confident93.5Very high194 Ų19453.6 Ų53.673%0.73228%0.282SS*.Hα-helixtrans-81.5-34.6-179.9-72.1176.3-176.3-1762114.6P350 S351 A352P350-R354 VanDerWaalsContact O-CG 3.31Å; P350-R354 WeakPolarHBondContact O-CG 3.49Å; P350-R354 PolarHBondContact O-N 2.76Å; S351-R354 PolarHBondContact O-N 3.03Å; A352-R354 PolarHBondContact O-N 3.36Å
355H89.8Confident93.5Very high150 Ų15053 Ų5369%0.69428%0.277SS*.Hα-helixtrans-116.7-7.9-166.4-62.7-66.3000114.8S351 A352S351-H355 WeakPolarHBondContact O-CB 3.24Å; S351-H355 PolarHBondContact O-CD2 3.43Å; S351-H355 VanDerWaalsContact O-CD2 3.27Å; S351-H355 PolarHBondContact O-N 3.33Å; A352-H355 PolarHBondContact O-N 2.9Å
356T91.3Very high93.6Very high41 Ų4148.1 Ų48.125%0.25225%0.253SS..SBendtrans-91.4144.6175.759.70000111.7A352 Q361A352-T356 HydrophobicContact CB-CG2 4.21Å; A352-T356 VanDerWaalsContact O-CB 3.31Å; A352-T356 WeakPolarHBondContact O-CB 3.4Å; A352-T356 WeakPolarHBondContact O-CG2 3.3Å; A352-T356 PolarHBondContact O-N 3.06Å; A352-T356 PolarHBondContact O-OG1 3.12Å; T356-Q361 PolarHBondContact O-NE2 2.68Å; T356-Q361 WeakPolarHBondContact OG1-CG 3.11Å; T356-Q361 PolarHBondContact OG1-NE2 2.72Å
357P92.9Very high93.7Very high52 Ų5246.4 Ų46.434%0.33824%0.238SC..  trans-57.1148.5174.5-23.333.4000112.2E359 Q360 Q361P357-E359 WeakPolarHBondContact CB-OE2 3.29Å; P357-E359 PolarHBondContact O-N 3.28Å; P357-Q360 PolarHBondContact O-N 3.19Å; P357-Q360 VanDerWaalsContact O-N 3.09Å; P357-Q361 WeakPolarHBondContact O-CG 3.5Å; P357-Q361 PolarHBondContact O-N 3.41Å; P357-Q361 VanDerWaalsContact O-N 3.08Å
358L92.7Very high93.7Very high34 Ų3446.1 Ų46.118%0.17824%0.237CC..Hα-helixtrans-60.3-36.8-178-176.269.2000111.8Q360 Q361 L362 R405 V406 M409L358-Q360 VanDerWaalsContact C-N 3.29Å; L358-Q360 PolarHBondContact O-N 3.48Å; L358-Q361 PolarHBondContact O-N 3.13Å; L358-L362 WeakPolarHBondContact O-CB 3.43Å; L358-L362 PolarHBondContact O-N 3.3Å; L358-R405 HydrophobicContact CD1-CB 4.46Å; L358-R405 HydrophobicContact CD2-CB 4.06Å; L358-R405 VanDerWaalsContact CD2-NH1 3.25Å; L358-V406 HydrophobicContact CD1-CG2 3.66Å; L358-M409 HydrophobicContact CD1-CE 4.13Å
359E93.9Very high93.7Very high116 Ų11645.2 Ų45.254%0.54223%0.229SC..Hα-helixtrans-60.2-40.7177.9-61.474.1-162.200111.1Y312 P357 Y363Y312-E359 HydrophobicContact CD2-CB 4.16Å; Y312-E359 HydrophobicContact CE2-CB 4.19Å; P357-E359 WeakPolarHBondContact CB-OE2 3.29Å; P357-E359 PolarHBondContact O-N 3.28Å; E359-Y363 VanDerWaalsContact O-CB 3.3Å; E359-Y363 WeakPolarHBondContact O-CB 3.06Å; E359-Y363 PolarHBondContact O-N 2.86Å
360Q94.8Very high93.8Very high41 Ų4142.7 Ų42.719%0.19222%0.216CC..Hα-helixtrans-71.2-40.8176.9-171.9177.611.500111.4L309 Y312 P357 L358 L362 Y363 V364L309-Q360 PolarHBondContact O-NE2 3.01Å; Y312-Q360 HydrophobicContact CD1-CB 3.84Å; Y312-Q360 HydrophobicContact CD1-CG 3.74Å; Y312-Q360 HydrophobicContact CD2-CB 4.24Å; Y312-Q360 HydrophobicContact CE1-CB 4.18Å; Y312-Q360 HydrophobicContact CE1-CG 4.33Å; Y312-Q360 HydrophobicContact CG-CB 3.88Å; Y312-Q360 HydrophobicContact CG-CG 4.05Å; P357-Q360 PolarHBondContact O-N 3.19Å; P357-Q360 VanDerWaalsContact O-N 3.09Å; L358-Q360 VanDerWaalsContact C-N 3.29Å; L358-Q360 PolarHBondContact O-N 3.48Å; Q360-L362 VanDerWaalsContact C-N 3.31Å; Q360-L362 PolarHBondContact O-N 2.68Å; Q360-Y363 WeakPolarHBondContact O-CB 3.47Å; Q360-Y363 PolarHBondContact O-N 3.22Å; Q360-V364 WeakPolarHBondContact O-CG2 3.43Å; Q360-V364 PolarHBondContact O-N 3.25Å
361Q94.9Very high93.9Very high15 Ų1539.5 Ų39.57%0.0720%0.195CC..Hα-helixtrans-62.2-41175.9-62.5-175.235.100111.6V353 T356 P357 L358 S365 M409V353-Q361 PolarHBondContact O-NE2 3.27Å; T356-Q361 PolarHBondContact O-NE2 2.68Å; T356-Q361 WeakPolarHBondContact OG1-CG 3.11Å; T356-Q361 PolarHBondContact OG1-NE2 2.72Å; P357-Q361 WeakPolarHBondContact O-CG 3.5Å; P357-Q361 PolarHBondContact O-N 3.41Å; P357-Q361 VanDerWaalsContact O-N 3.08Å; L358-Q361 PolarHBondContact O-N 3.13Å; Q361-S365 WeakPolarHBondContact O-CB 3.33Å; Q361-S365 PolarHBondContact O-N 3.16Å; Q361-S365 PolarHBondContact O-OG 3.06Å; Q361-M409 HydrophobicContact CB-CE 3.54Å; Q361-M409 HydrophobicContact CB-SD 4.24Å
362L94.8Very high94.1Very high12 Ų1236.3 Ų36.36%0.06317%0.173CC..Hα-helixtrans-64.3-44174.5-175.863.5000111L358 Q360 V364 S365 R366 M409 L441L358-L362 WeakPolarHBondContact O-CB 3.43Å; L358-L362 PolarHBondContact O-N 3.3Å; Q360-L362 VanDerWaalsContact C-N 3.31Å; Q360-L362 PolarHBondContact O-N 2.68Å; L362-V364 PolarHBondContact O-N 3.45Å; L362-S365 WeakPolarHBondContact O-CB 3.16Å; L362-S365 PolarHBondContact O-N 3.27Å; L362-R366 WeakPolarHBondContact O-CG 3.47Å; L362-R366 PolarHBondContact O-N 3.25Å; L362-M409 HydrophobicContact CB-SD 4.19Å; L362-M409 HydrophobicContact CD1-SD 4.18Å; L362-L441 HydrophobicContact CD1-CD1 3.93Å; L362-L441 HydrophobicContact CD1-CD2 4.19Å; L362-L441 HydrophobicContact CD1-CG 4.25Å
363Y96.8Very high94.2Very high2 Ų236.7 Ų36.71%0.00818%0.179CC..Hα-helixtrans-59.3-47176.7-170.4-100000112.7L307 L308 Y314 L319 E359 Q360 S365 R366 A367L307-Y363 PolarHBondContact O-OH 3.01Å; L308-Y363 VanDerWaalsContact O-CE1 3.29Å; L308-Y363 WeakPolarHBondContact O-CE1 3.37Å; Y314-Y363 VanDerWaalsContact O-CE2 3.24Å; Y314-Y363 WeakPolarHBondContact O-CE2 3.29Å; L319-Y363 HydrophobicContact CD1-CD2 4Å; L319-Y363 HydrophobicContact CD1-CE1 4.42Å; L319-Y363 HydrophobicContact CD1-CE2 3.65Å; L319-Y363 HydrophobicContact CD1-CG 4.48Å; L319-Y363 HydrophobicContact CD2-CE1 3.79Å; L319-Y363 HydrophobicContact CD2-CE2 3.99Å; L319-Y363 WeakPolarHBondContact CD2-OH 3.3Å; L319-Y363 HydrophobicContact CG-CE2 3.85Å; E359-Y363 VanDerWaalsContact O-CB 3.3Å; E359-Y363 WeakPolarHBondContact O-CB 3.06Å; E359-Y363 PolarHBondContact O-N 2.86Å; Q360-Y363 WeakPolarHBondContact O-CB 3.47Å; Q360-Y363 PolarHBondContact O-N 3.22Å; Y363-S365 VanDerWaalsContact C-N 3.33Å; Y363-S365 PolarHBondContact O-N 3.43Å; Y363-R366 PolarHBondContact O-N 2.95Å; Y363-A367 PolarHBondContact O-N 2.87Å
364V96.4Very high94.2Very high10 Ų1039.2 Ų39.26%0.06119%0.192CC..Hα-helixtrans-64.9-38175.9173.20000111L309 L343 A346 W347 Q360 L362 A367 L368L309-V364 HydrophobicContact CD2-CG2 4.2Å; L343-V364 HydrophobicContact CD2-CG1 4.05Å; A346-V364 HydrophobicContact CB-CG1 4.32Å; W347-V364 HydrophobicContact CB-CG1 4.02Å; Q360-V364 WeakPolarHBondContact O-CG2 3.43Å; Q360-V364 PolarHBondContact O-N 3.25Å; L362-V364 PolarHBondContact O-N 3.45Å; V364-A367 PolarHBondContact O-N 2.93Å; V364-L368 VanDerWaalsContact O-CB 3.3Å; V364-L368 WeakPolarHBondContact O-CB 3.22Å; V364-L368 PolarHBondContact O-N 3.49Å
365S95.9Very high94.4Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-62.5-45.9175.6-60.30000111.8W347 Q361 L362 Y363 A367 L368 L369 M409W347-S365 VanDerWaalsContact CD1-OG 3.26Å; W347-S365 PolarHBondContact NE1-OG 2.7Å; Q361-S365 WeakPolarHBondContact O-CB 3.33Å; Q361-S365 PolarHBondContact O-N 3.16Å; Q361-S365 PolarHBondContact O-OG 3.06Å; L362-S365 WeakPolarHBondContact O-CB 3.16Å; L362-S365 PolarHBondContact O-N 3.27Å; Y363-S365 VanDerWaalsContact C-N 3.33Å; Y363-S365 PolarHBondContact O-N 3.43Å; S365-A367 PolarHBondContact O-N 2.95Å; S365-L368 PolarHBondContact O-N 3Å; S365-L369 WeakPolarHBondContact O-CG 3.48Å; S365-L369 PolarHBondContact O-N 3.01Å; S365-M409 PolarHBondContact OG-SD 2.64Å; S365-M409 VanDerWaalsContact OG-SD 3.33Å
366R96.5Very high94.4Very high47 Ų4725 Ų2518%0.17714%0.139CC..Hα-helixtrans-58.3-47.5174.2-69.7169.3170.1150.11.6111.3T316 L319 L362 Y363 L368 L369 L370 E440 L441 L444T316-R366 HydrophobicContact CG2-CB 4.42Å; T316-R366 WeakPolarHBondContact OG1-CD 3.42Å; T316-R366 PolarHBondContact OG1-NE 3.18Å; L319-R366 HydrophobicContact CD1-CB 3.97Å; L362-R366 WeakPolarHBondContact O-CG 3.47Å; L362-R366 PolarHBondContact O-N 3.25Å; Y363-R366 PolarHBondContact O-N 2.95Å; R366-L368 PolarHBondContact O-N 3.19Å; R366-L369 PolarHBondContact O-N 3.04Å; R366-L370 WeakPolarHBondContact O-CB 3.28Å; R366-L370 VanDerWaalsContact O-CG 3.29Å; R366-L370 WeakPolarHBondContact O-CG 3.08Å; R366-L370 PolarHBondContact O-N 2.93Å; R366-E440 IonicContact CZ-OE1 3.13Å; R366-E440 IonicContact CZ-OE2 2.7Å; R366-E440 VanDerWaalsContact CZ-OE2 3.26Å; R366-E440 IonicContact NE-OE1 2.76Å; R366-E440 PolarHBondContact NE-OE1 2.99Å; R366-E440 IonicContact NE-OE2 3.33Å; R366-E440 PolarHBondContact NE-OE2 2.93Å; R366-E440 VanDerWaalsContact NE-OE2 3.13Å; R366-E440 IonicContact NH2-OE1 3.66Å; R366-E440 IonicContact NH2-OE2 3.79Å; R366-E440 PolarHBondContact NH2-OE2 2.93Å; R366-L441 HydrophobicContact CG-CD2 3.75Å; R366-L444 HydrophobicContact CB-CD1 3.85Å; R366-L444 HydrophobicContact CG-CD1 3.86Å
367A96.9Very high94.2Very high0 Ų028.1 Ų28.10%015%0.154CC..Hα-helixtrans-63.8-40178.500000112.4L319 L323 L343 Y363 V364 S365 C371L319-A367 HydrophobicContact CD1-CB 4.06Å; L319-A367 HydrophobicContact CD2-CB 4.04Å; L323-A367 WeakPolarHBondContact CD1-O 3.4Å; L343-A367 HydrophobicContact CD1-CB 4.1Å; L343-A367 HydrophobicContact CD2-CB 3.73Å; Y363-A367 PolarHBondContact O-N 2.87Å; V364-A367 PolarHBondContact O-N 2.93Å; S365-A367 PolarHBondContact O-N 2.95Å; A367-C371 WeakPolarHBondContact O-CB 3.4Å; A367-C371 PolarHBondContact O-N 3.25Å
368L96.6Very high94Very high0 Ų029.2 Ų29.20%017%0.168CC..Hα-helixtrans-62.1-50.2177177.160.8000111.1L340 L343 W347 V364 S365 R366 C371 V372 V413 L417L340-L368 HydrophobicContact CD1-CD1 3.79Å; L343-L368 HydrophobicContact CB-CB 4.38Å; L343-L368 HydrophobicContact CB-CD1 4.12Å; W347-L368 HydrophobicContact CB-CD2 4.07Å; W347-L368 HydrophobicContact CD2-CD2 3.88Å; W347-L368 HydrophobicContact CE3-CD2 4.13Å; W347-L368 HydrophobicContact CG-CD2 3.83Å; V364-L368 VanDerWaalsContact O-CB 3.3Å; V364-L368 WeakPolarHBondContact O-CB 3.22Å; V364-L368 PolarHBondContact O-N 3.49Å; S365-L368 PolarHBondContact O-N 3Å; R366-L368 PolarHBondContact O-N 3.19Å; L368-C371 PolarHBondContact O-N 3.33Å; L368-V372 HydrophobicContact CD1-CG2 4.18Å; L368-V372 WeakPolarHBondContact O-CG2 3.46Å; L368-V372 PolarHBondContact O-N 3.42Å; L368-V413 HydrophobicContact CD2-CG1 4.2Å; L368-L417 HydrophobicContact CD2-CD1 4.45Å
369L95.9Very high94Very high0 Ų028.7 Ų28.70%016%0.164CC..Hα-helixtrans-60.9-49.3178.8-67.5-175.5000111.4S365 R366 C371 V372 G373 V413 C416 L417 L441 L444 M445S365-L369 WeakPolarHBondContact O-CG 3.48Å; S365-L369 PolarHBondContact O-N 3.01Å; R366-L369 PolarHBondContact O-N 3.04Å; L369-C371 VanDerWaalsContact C-N 3.28Å; L369-C371 PolarHBondContact O-N 2.69Å; L369-V372 PolarHBondContact O-N 3.26Å; L369-G373 PolarHBondContact O-N 3.47Å; L369-V413 HydrophobicContact CD1-CG2 4.27Å; L369-V413 HydrophobicContact CD2-CG1 4.04Å; L369-V413 HydrophobicContact CG-CG2 4.43Å; L369-C416 HydrophobicContact CD1-CB 4.33Å; L369-C416 HydrophobicContact CD2-CB 3.49Å; L369-C416 VanDerWaalsContact CD2-CB 3.49Å; L369-L417 HydrophobicContact CD2-CD2 4.34Å; L369-L417 HydrophobicContact CD2-CG 4.5Å; L369-L441 HydrophobicContact CD1-CB 4.12Å; L369-L441 HydrophobicContact CD1-CD2 3.99Å; L369-L441 WeakPolarHBondContact CD1-O 3.19Å; L369-L444 HydrophobicContact CB-CB 4.22Å; L369-M445 HydrophobicContact CB-CG 4.29Å; L369-M445 HydrophobicContact CB-SD 3.95Å; L369-M445 HydrophobicContact CD2-CG 4.17Å; L369-M445 HydrophobicContact CD2-SD 4.03Å
370L95.4Very high93.8Very high17 Ų1723.5 Ų23.59%0.08914%0.14CC..Hα-helixtrans-57.2-41.7175.6-73.2170.7000112.1T316 L319 L323 R366 G373 L374 L444T316-L370 HydrophobicContact CG2-CD1 3.96Å; L319-L370 HydrophobicContact CB-CD1 3.68Å; L323-L370 HydrophobicContact CD1-CB 3.56Å; L323-L370 HydrophobicContact CD1-CD1 4.48Å; R366-L370 WeakPolarHBondContact O-CB 3.28Å; R366-L370 VanDerWaalsContact O-CG 3.29Å; R366-L370 WeakPolarHBondContact O-CG 3.08Å; R366-L370 PolarHBondContact O-N 2.93Å; L370-G373 PolarHBondContact O-N 3.49Å; L370-L374 WeakPolarHBondContact O-CD1 3.31Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.23Å; L370-L374 PolarHBondContact O-N 2.85Å; L370-L444 HydrophobicContact CD2-CB 4.16Å; L370-L444 HydrophobicContact CD2-CD2 4.09Å; L370-L444 HydrophobicContact CG-CB 4.36Å; L370-L444 HydrophobicContact CG-CD1 4.37Å; L370-L444 HydrophobicContact CG-CD2 4.44Å
371C95.4Very high93.5Very high0 Ų027 Ų270%016%0.156CC..Hα-helixtrans-66.4-40.9-179.6-168.40000111.8L323 L336 L340 L343 A367 L368 L369 L374L323-C371 HydrophobicContact CD1-CB 4.11Å; L323-C371 HydrophobicContact CD2-CB 4.08Å; L336-C371 VanDerWaalsContact CD1-SG 3.58Å; L340-C371 HydrophobicContact CD1-CB 4.19Å; L343-C371 HydrophobicContact CD1-CB 4Å; A367-C371 WeakPolarHBondContact O-CB 3.4Å; A367-C371 PolarHBondContact O-N 3.25Å; L368-C371 PolarHBondContact O-N 3.33Å; L369-C371 VanDerWaalsContact C-N 3.28Å; L369-C371 PolarHBondContact O-N 2.69Å; C371-L374 PolarHBondContact O-N 2.66Å
372V94.1Very high93.4Very high0 Ų032.8 Ų32.80%018%0.183CC..Hα-helixtrans-70-37.6176.8176.50000111.3L340 L368 L369 L374 L375 L380 L387 L417 R420 M445L340-V372 HydrophobicContact CD1-CG2 3.46Å; L340-V372 VanDerWaalsContact CD1-CG2 3.46Å; L368-V372 HydrophobicContact CD1-CG2 4.18Å; L368-V372 WeakPolarHBondContact O-CG2 3.46Å; L368-V372 PolarHBondContact O-N 3.42Å; L369-V372 PolarHBondContact O-N 3.26Å; V372-L374 PolarHBondContact O-N 2.87Å; V372-L375 HydrophobicContact CG1-CD1 4.46Å; V372-L375 PolarHBondContact O-N 3.31Å; V372-L380 HydrophobicContact CG1-CD1 4.45Å; V372-L387 HydrophobicContact CG2-CD2 3.95Å; V372-L417 HydrophobicContact CB-CD2 4.1Å; V372-L417 HydrophobicContact CG1-CD2 3.93Å; V372-L417 HydrophobicContact CG2-CD2 3.74Å; V372-R420 HydrophobicContact CG1-CG 4.08Å; V372-M445 HydrophobicContact CB-CE 4.43Å; V372-M445 HydrophobicContact CG1-CE 4Å
373G91.8Very high93.2Very high30 Ų3032.2 Ų32.231%0.30918%0.181SC..Hα-helixtrans-59.6-27.2174.700000113.5L369 L370L369-G373 PolarHBondContact O-N 3.47Å; L370-G373 PolarHBondContact O-N 3.49Å
374L92.7Very high92.9Very high63 Ų6334.8 Ų34.833%0.3319%0.19SC..THydrogen-bonded Turntrans-87.6-5.7179.4-68.3167.8000114.7L323 A327 L336 L370 C371 V372L323-L374 VanDerWaalsContact C-CD1 3.43Å; L323-L374 HydrophobicContact CB-CD1 3.51Å; A327-L374 HydrophobicContact CB-CB 4.08Å; A327-L374 HydrophobicContact CB-CD1 4.23Å; A327-L374 HydrophobicContact CB-CD2 4.34Å; A327-L374 HydrophobicContact CB-CG 4.46Å; L336-L374 HydrophobicContact CD2-CB 4.44Å; L370-L374 WeakPolarHBondContact O-CD1 3.31Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.23Å; L370-L374 PolarHBondContact O-N 2.85Å; C371-L374 PolarHBondContact O-N 2.66Å; V372-L374 PolarHBondContact O-N 2.87Å
375L91.9Very high92.5Very high4 Ų438.3 Ų38.32%0.02122%0.215CC..  trans-73.5137.3178.9-61.2175.9000111.3L336 L340 V372 E379 L380 L383 L387 R420L336-L375 HydrophobicContact CD2-CD2 4.39Å; L340-L375 HydrophobicContact CD2-CD1 3.76Å; L340-L375 HydrophobicContact CD2-CD2 4.4Å; V372-L375 HydrophobicContact CG1-CD1 4.46Å; V372-L375 PolarHBondContact O-N 3.31Å; L375-E379 HydrophobicContact CB-CB 4.47Å; L375-E379 HydrophobicContact CD2-CB 4.39Å; L375-L380 HydrophobicContact CD1-CD1 4.21Å; L375-L383 HydrophobicContact CD1-CD1 4.48Å; L375-L383 HydrophobicContact CD2-CD1 4.49Å; L375-L387 HydrophobicContact CD1-CD1 4.24Å; L375-R420 PolarHBondContact O-NH2 2.9Å
376S90.2Very high92.3Very high42 Ų4241.8 Ų41.829%0.29423%0.231SC..  trans-71.1158.1167.364.80000111.3A378 E379 L380S376-A378 PolarHBondContact O-N 3.25Å; S376-E379 WeakPolarHBondContact CB-OE2 3.05Å; S376-E379 PolarHBondContact N-OE2 3.26Å; S376-E379 PolarHBondContact O-N 2.99Å; S376-E379 VanDerWaalsContact O-N 3.12Å; S376-E379 WeakPolarHBondContact OG-CG 3.22Å; S376-E379 PolarHBondContact OG-OE2 2.91Å; S376-L380 WeakPolarHBondContact O-CB 3.17Å; S376-L380 PolarHBondContact O-N 2.65Å
377D88Confident92.1Very high106 Ų10639.6 Ų39.657%0.56722%0.223SC*.Hα-helixtrans-61.2-31-177.6-61.1-28000112.5Q381 R420D377-Q381 WeakPolarHBondContact O-CG 3.46Å; D377-Q381 PolarHBondContact O-N 3.13Å; D377-Q381 VanDerWaalsContact O-N 3.1Å; D377-R420 IonicContact OD1-CZ 3.85Å; D377-R420 IonicContact OD1-NH1 3.4Å; D377-R420 PolarHBondContact OD1-NH1 2.7Å; D377-R420 IonicContact OD1-NH2 3.36Å; D377-R420 PolarHBondContact OD1-NH2 2.86Å
378A89.3Confident91.8Very high75 Ų7541.7 Ų41.762%0.6223%0.234SC*.Hα-helixtrans-66.8-47.1174.500000112.3S376 L380 Q381 E382S376-A378 PolarHBondContact O-N 3.25Å; A378-L380 VanDerWaalsContact C-N 3.29Å; A378-L380 PolarHBondContact O-N 2.98Å; A378-Q381 PolarHBondContact O-N 3.35Å; A378-E382 PolarHBondContact O-N 2.59Å
379E91.9Very high91.6Very high22 Ų2249.1 Ų49.110%0.10327%0.269CS..Hα-helixtrans-64.1-36.3176.9-69.8157.5160.800111.1R333 L375 S376 E382 L383R333-E379 WeakPolarHBondContact CD-OE1 3.31Å; R333-E379 IonicContact NE-OE1 3.98Å; R333-E379 IonicContact NH1-OE1 3.64Å; L375-E379 HydrophobicContact CB-CB 4.47Å; L375-E379 HydrophobicContact CD2-CB 4.39Å; S376-E379 WeakPolarHBondContact CB-OE2 3.05Å; S376-E379 PolarHBondContact N-OE2 3.26Å; S376-E379 PolarHBondContact O-N 2.99Å; S376-E379 VanDerWaalsContact O-N 3.12Å; S376-E379 WeakPolarHBondContact OG-CG 3.22Å; S376-E379 PolarHBondContact OG-OE2 2.91Å; E379-E382 PolarHBondContact O-N 2.87Å; E379-L383 WeakPolarHBondContact O-CB 3.28Å; E379-L383 WeakPolarHBondContact O-CG 3.17Å; E379-L383 PolarHBondContact O-N 3.49Å
380L89.8Confident91.5Very high7 Ų749.4 Ų49.44%0.03727%0.271CS..Hα-helixtrans-65-39.1176.4-169.974000112.2V372 L375 S376 A378 R384 L387 R420 M421V372-L380 HydrophobicContact CG1-CD1 4.45Å; L375-L380 HydrophobicContact CD1-CD1 4.21Å; S376-L380 WeakPolarHBondContact O-CB 3.17Å; S376-L380 PolarHBondContact O-N 2.65Å; A378-L380 VanDerWaalsContact C-N 3.29Å; A378-L380 PolarHBondContact O-N 2.98Å; L380-R384 WeakPolarHBondContact O-CA 3.44Å; L380-R384 WeakPolarHBondContact O-CB 3.37Å; L380-R384 PolarHBondContact O-N 2.68Å; L380-R384 VanDerWaalsContact O-N 3.12Å; L380-L387 HydrophobicContact CD1-CD1 3.84Å; L380-R420 HydrophobicContact CD1-CG 4.27Å; L380-R420 HydrophobicContact CD2-CG 4.18Å; L380-R420 WeakPolarHBondContact CD2-O 3.39Å; L380-M421 HydrophobicContact CD1-CG 4.26Å
381Q88.9Confident91.4Very high114 Ų11448.9 Ų48.953%0.53327%0.268SS..Hα-helixtrans-69.1-39174.8-67.5-57-25.700111.9D377 A378 R384D377-Q381 WeakPolarHBondContact O-CG 3.46Å; D377-Q381 PolarHBondContact O-N 3.13Å; D377-Q381 VanDerWaalsContact O-N 3.1Å; A378-Q381 PolarHBondContact O-N 3.35Å; Q381-R384 WeakPolarHBondContact O-CB 3.31Å; Q381-R384 PolarHBondContact O-N 2.75Å
382E91.8Very high91.2Very high137 Ų13753.6 Ų53.664%0.6429%0.293SS*.Hα-helixtrans-62.9-44.5176.4-173.6-178.6166.800111.7A378 E379 R384A378-E382 PolarHBondContact O-N 2.59Å; E379-E382 PolarHBondContact O-N 2.87Å; E382-R384 VanDerWaalsContact C-N 3.31Å; E382-R384 PolarHBondContact O-N 2.66Å
383L91.9Very high91.1Very high1 Ų155 Ų551%0.00531%0.307CS..THydrogen-bonded Turntrans-90.37.8-175.6-61.8165.6000113.3I337 L340 L375 E379 S385 E386 L387I337-L383 HydrophobicContact CG1-CD1 4.19Å; I337-L383 HydrophobicContact CG2-CD1 3.96Å; I337-L383 HydrophobicContact CG2-CD2 3.96Å; L340-L383 HydrophobicContact CD2-CD1 3.84Å; L375-L383 HydrophobicContact CD1-CD1 4.48Å; L375-L383 HydrophobicContact CD2-CD1 4.49Å; E379-L383 WeakPolarHBondContact O-CB 3.28Å; E379-L383 WeakPolarHBondContact O-CG 3.17Å; E379-L383 PolarHBondContact O-N 3.49Å; L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 2.93Å; L383-E386 PolarHBondContact O-N 3.18Å; L383-L387 HydrophobicContact CB-CD1 4.34Å; L383-L387 WeakPolarHBondContact O-CB 3.29Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 3.3Å
384R88.9Confident91.1Very high56 Ų5653.5 Ų53.521%0.21129%0.292CS..Hα-helixtrans-57.5-43.3-173.2-171.4-176.2-179.2103.82.3112.5L380 Q381 E382 L388 M421 D422L380-R384 WeakPolarHBondContact O-CA 3.44Å; L380-R384 WeakPolarHBondContact O-CB 3.37Å; L380-R384 PolarHBondContact O-N 2.68Å; L380-R384 VanDerWaalsContact O-N 3.12Å; Q381-R384 WeakPolarHBondContact O-CB 3.31Å; Q381-R384 PolarHBondContact O-N 2.75Å; E382-R384 VanDerWaalsContact C-N 3.31Å; E382-R384 PolarHBondContact O-N 2.66Å; R384-L388 HydrophobicContact CG-CD1 4.34Å; R384-L388 WeakPolarHBondContact O-CB 3.43Å; R384-L388 VanDerWaalsContact O-CG 3.28Å; R384-L388 WeakPolarHBondContact O-CG 3.45Å; R384-L388 PolarHBondContact O-N 2.84Å; R384-M421 HydrophobicContact CB-CE 4.3Å; R384-M421 HydrophobicContact CG-CE 3.68Å; R384-M421 PolarHBondContact NH1-O 3.05Å; R384-M421 WeakPolarHBondContact O-CE 3.32Å; R384-D422 PolarHBondContact NH2-O 3.32Å
385S89.3Confident91.1Very high84 Ų8451.5 Ų51.559%0.58728%0.282SS*.Hα-helixtrans-65.9-45.4179.852.30000112.1L383 L388 Q389L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 2.93Å; S385-L388 PolarHBondContact O-N 3.4Å; S385-Q389 PolarHBondContact O-N 3.31Å
386E91.8Very high91.2Very high72 Ų7257.2 Ų57.234%0.33631%0.308SS..Hα-helixtrans-62.9-43.4178.5-63.1-177.5-148.700111.4R341 L383 Q389 C390R341-E386 WeakPolarHBondContact CG-OE2 3.28Å; R341-E386 IonicContact CZ-OE1 3.52Å; R341-E386 IonicContact CZ-OE2 3.69Å; R341-E386 IonicContact NE-OE1 3.38Å; R341-E386 PolarHBondContact NE-OE1 3.28Å; R341-E386 IonicContact NE-OE2 2.81Å; R341-E386 PolarHBondContact NE-OE2 3.4Å; R341-E386 IonicContact NH2-OE1 2.82Å; R341-E386 PolarHBondContact NH2-OE1 2.9Å; R341-E386 IonicContact NH2-OE2 3.69Å; L383-E386 PolarHBondContact O-N 3.18Å; E386-Q389 PolarHBondContact O-N 3.03Å; E386-C390 WeakPolarHBondContact O-CB 3.38Å; E386-C390 PolarHBondContact O-N 2.78Å
387L91.9Very high91.3Very high1 Ų156.2 Ų56.21%0.00530%0.301CS..Hα-helixtrans-67.5-38.8177.2-74.2172.8000112.5L340 V372 L375 L380 L383 C390 M391 M421L340-L387 HydrophobicContact CD1-CD2 4.18Å; L340-L387 HydrophobicContact CD2-CD2 4.13Å; L340-L387 HydrophobicContact CG-CD2 4.39Å; V372-L387 HydrophobicContact CG2-CD2 3.95Å; L375-L387 HydrophobicContact CD1-CD1 4.24Å; L380-L387 HydrophobicContact CD1-CD1 3.84Å; L383-L387 HydrophobicContact CB-CD1 4.34Å; L383-L387 WeakPolarHBondContact O-CB 3.29Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 3.3Å; L387-C390 PolarHBondContact O-N 3.2Å; L387-M391 VanDerWaalsContact O-CB 3.3Å; L387-M391 WeakPolarHBondContact O-CB 3.24Å; L387-M391 PolarHBondContact O-N 2.88Å; L387-M421 HydrophobicContact CB-CE 3.58Å; L387-M421 HydrophobicContact CB-SD 3.65Å; L387-M421 HydrophobicContact CD1-SD 4.41Å
388L90.6Very high91.7Very high45 Ų4551.2 Ų51.224%0.23627%0.274CS..Hα-helixtrans-62.8-43.1173.8-78.8175.5000111.3R384 S385 M391 L392 M421 V423R384-L388 HydrophobicContact CG-CD1 4.34Å; R384-L388 WeakPolarHBondContact O-CB 3.43Å; R384-L388 VanDerWaalsContact O-CG 3.28Å; R384-L388 WeakPolarHBondContact O-CG 3.45Å; R384-L388 PolarHBondContact O-N 2.84Å; S385-L388 PolarHBondContact O-N 3.4Å; L388-M391 HydrophobicContact CD2-CE 3.86Å; L388-M391 PolarHBondContact O-N 3.42Å; L388-L392 WeakPolarHBondContact O-CB 3.36Å; L388-L392 WeakPolarHBondContact O-CG 3.29Å; L388-L392 PolarHBondContact O-N 3.24Å; L388-M421 HydrophobicContact CB-CE 4.45Å; L388-M421 HydrophobicContact CD2-CE 3.92Å; L388-M421 HydrophobicContact CD2-SD 4.48Å; L388-M421 HydrophobicContact CG-CE 3.61Å; L388-V423 HydrophobicContact CD2-CG2 3.85Å
389Q91.9Very high91.9Very high155 Ų15550.5 Ų50.572%0.72426%0.26SS*.Hα-helixtrans-63.4-44.1177.3-174.9178.71.100111.4S385 E386 G393S385-Q389 PolarHBondContact O-N 3.31Å; E386-Q389 PolarHBondContact O-N 3.03Å; Q389-G393 PolarHBondContact O-N 3.43Å
390C93.4Very high91.9Very high7 Ų755.1 Ų55.15%0.04729%0.285CS..Hα-helixtrans-59.2-50.8174.1177.90000111.7C344 E386 L387 G394C344-C390 WeakPolarHBondContact CA-SG 3.44Å; C344-C390 HydrophobicContact CB-CB 3.79Å; C344-C390 WeakPolarHBondContact CB-SG 3.15Å; C344-C390 PolarHBondContact SG-SG 2.63Å; E386-C390 WeakPolarHBondContact O-CB 3.38Å; E386-C390 PolarHBondContact O-N 2.78Å; L387-C390 PolarHBondContact O-N 3.2Å; C390-G394 WeakPolarHBondContact O-CA 3.29Å; C390-G394 PolarHBondContact O-N 2.67Å
391M93.7Very high92.1Very high5 Ų556 Ų563%0.02529%0.292CS..Hα-helixtrans-60.4-51.6-178.4-177.3-173.571.500111.4L387 L388 M395 L417 L428L387-M391 VanDerWaalsContact O-CB 3.3Å; L387-M391 WeakPolarHBondContact O-CB 3.24Å; L387-M391 PolarHBondContact O-N 2.88Å; L388-M391 HydrophobicContact CD2-CE 3.86Å; L388-M391 PolarHBondContact O-N 3.42Å; M391-M395 WeakPolarHBondContact O-CB 3.45Å; M391-M395 PolarHBondContact O-N 2.87Å; M391-L417 HydrophobicContact CB-CB 4.5Å; M391-L417 HydrophobicContact CB-CD1 4.06Å; M391-L417 HydrophobicContact CG-CB 4.19Å; M391-L417 HydrophobicContact CG-CD1 4.3Å; M391-L417 HydrophobicContact SD-CB 3.96Å; M391-L428 HydrophobicContact CE-CD1 4.24Å
392L91.1Very high92.1Very high99 Ų9956 Ų5652%0.51830%0.304SS..Hα-helixtrans-67.2-49-177.1-67.2174.6000111.9L388 Q396L388-L392 WeakPolarHBondContact O-CB 3.36Å; L388-L392 WeakPolarHBondContact O-CG 3.29Å; L388-L392 PolarHBondContact O-N 3.24Å; L392-Q396 WeakPolarHBondContact O-CB 3.26Å; L392-Q396 PolarHBondContact O-N 3.49Å
393G91.4Very high92.1Very high29 Ų2952.8 Ų52.830%0.29929%0.294SS..Hα-helixtrans-69.4-38.7-178.600000113.1Q389 S397Q389-G393 PolarHBondContact O-N 3.43Å; G393-S397 WeakPolarHBondContact O-CB 3.34Å; G393-S397 PolarHBondContact O-N 3.15Å; G393-S397 VanDerWaalsContact O-N 3.13Å; G393-S397 PolarHBondContact O-OG 2.98Å
394G92.6Very high92.1Very high0 Ų056.6 Ų56.60%032%0.317CS..Hα-helixtrans-70.1-49.6176.200000111.8C390 Q396 S397 H398C390-G394 WeakPolarHBondContact O-CA 3.29Å; C390-G394 PolarHBondContact O-N 2.67Å; G394-Q396 VanDerWaalsContact C-N 3.29Å; G394-Q396 PolarHBondContact O-N 3.04Å; G394-S397 WeakPolarHBondContact O-CA 3.32Å; G394-S397 WeakPolarHBondContact O-CB 3.27Å; G394-S397 PolarHBondContact O-N 3.02Å; G394-H398 PolarHBondContact O-CD2 3.32Å; G394-H398 PolarHBondContact O-N 3.27Å
395M93.1Very high92.3Very high21 Ų2159 Ų5910%0.10333%0.326CS..Hα-helixtrans-57.6-42.8177.4-175.9177.164.200111.6M391 S397 H398 L399 F430M391-M395 WeakPolarHBondContact O-CB 3.45Å; M391-M395 PolarHBondContact O-N 2.87Å; M395-S397 PolarHBondContact O-N 3.36Å; M395-H398 PolarHBondContact O-N 3.11Å; M395-L399 HydrophobicContact CG-CD1 3.77Å; M395-L399 HydrophobicContact CG-CG 4.12Å; M395-L399 VanDerWaalsContact O-CB 3.28Å; M395-L399 WeakPolarHBondContact O-CB 3.32Å; M395-L399 WeakPolarHBondContact O-CG 3.43Å; M395-L399 PolarHBondContact O-N 2.87Å; M395-L399 HydrophobicContact SD-CD1 4.49Å; M395-F430 HydrophobicContact CE-CZ 4.27Å; M395-F430 HydrophobicContact SD-CE2 3.74Å; M395-F430 HydrophobicContact SD-CZ 3.54Å; M395-F430 VanDerWaalsContact SD-CZ 3.54Å
396Q93.1Very high92.5Very high123 Ų12355.3 Ų55.358%0.57530%0.3SS*.Hα-helixtrans-56.3-49.9173.1-177.7179.2-3.600111.4L392 G394 H398 L399 D400L392-Q396 WeakPolarHBondContact O-CB 3.26Å; L392-Q396 PolarHBondContact O-N 3.49Å; G394-Q396 VanDerWaalsContact C-N 3.29Å; G394-Q396 PolarHBondContact O-N 3.04Å; Q396-H398 VanDerWaalsContact C-N 3.33Å; Q396-H398 PolarHBondContact O-N 3.37Å; Q396-L399 PolarHBondContact O-N 3.4Å; Q396-D400 WeakPolarHBondContact O-CB 3.34Å; Q396-D400 VanDerWaalsContact O-CG 3.23Å; Q396-D400 PolarHBondContact O-N 2.79Å
397S93.4Very high92.6Very high21 Ų2156.6 Ų56.615%0.14730%0.302CS..Hα-helixtrans-61.6-38.1-179.9-58.20000113.2G393 G394 M395G393-S397 WeakPolarHBondContact O-CB 3.34Å; G393-S397 PolarHBondContact O-N 3.15Å; G393-S397 VanDerWaalsContact O-N 3.13Å; G393-S397 PolarHBondContact O-OG 2.98Å; G394-S397 WeakPolarHBondContact O-CA 3.32Å; G394-S397 WeakPolarHBondContact O-CB 3.27Å; G394-S397 PolarHBondContact O-N 3.02Å; M395-S397 PolarHBondContact O-N 3.36Å
398H95.1Very high92.7Very high1 Ų157.8 Ų57.81%0.00531%0.306CS..Hα-helixtrans-72.6-39.9176.7-78.6-84.8000112.1W347 V353 G394 M395 Q396 S401 V406 R407W347-H398 AromaticContact CD1-NE2 3.94Å; W347-H398 AromaticContact CD2-NE2 3.95Å; W347-H398 AromaticContact CE2-CD2 3.82Å; W347-H398 AromaticContact CE2-NE2 3.5Å; W347-H398 AromaticContact CZ2-CD2 3.68Å; W347-H398 AromaticContact CZ2-NE2 3.85Å; W347-H398 AromaticContact NE1-NE2 3.52Å; W347-H398 PolarHBondContact O-NE2 2.85Å; V353-H398 WeakPolarHBondContact CG2-NE2 3.42Å; G394-H398 PolarHBondContact O-CD2 3.32Å; G394-H398 PolarHBondContact O-N 3.27Å; M395-H398 PolarHBondContact O-N 3.11Å; Q396-H398 VanDerWaalsContact C-N 3.33Å; Q396-H398 PolarHBondContact O-N 3.37Å; H398-S401 WeakPolarHBondContact O-CB 3.46Å; H398-S401 PolarHBondContact O-N 3.48Å; H398-V406 HydrophobicContact CB-CG1 4.34Å; H398-V406 WeakPolarHBondContact ND1-CG1 3.47Å; H398-R407 VanDerWaalsContact O-CG 3.31Å; H398-R407 WeakPolarHBondContact O-CG 3.49Å
399L93.2Very high92.9Very high61 Ų6156.2 Ų56.232%0.31930%0.298SS..Hα-helixtrans-68.2-31.9177.8-73.9177.6000113.1M395 Q396 S401 R407 M411M395-L399 HydrophobicContact CG-CD1 3.77Å; M395-L399 HydrophobicContact CG-CG 4.12Å; M395-L399 VanDerWaalsContact O-CB 3.28Å; M395-L399 WeakPolarHBondContact O-CB 3.32Å; M395-L399 WeakPolarHBondContact O-CG 3.43Å; M395-L399 PolarHBondContact O-N 2.87Å; M395-L399 HydrophobicContact SD-CD1 4.49Å; Q396-L399 PolarHBondContact O-N 3.4Å; L399-S401 PolarHBondContact O-N 2.86Å; L399-R407 HydrophobicContact CD2-CB 4.46Å; L399-R407 VanDerWaalsContact O-CD 3.25Å; L399-R407 WeakPolarHBondContact O-CD 3.36Å; L399-M411 HydrophobicContact CD2-CG 3.65Å; L399-M411 HydrophobicContact CD2-SD 4.13Å
400D93.1Very high93Very high118 Ų11848.8 Ų48.863%0.63126%0.263SS*.THydrogen-bonded Turntrans-70.2-10.2175.2-73.2-15.4000112.9Q396Q396-D400 WeakPolarHBondContact O-CB 3.34Å; Q396-D400 VanDerWaalsContact O-CG 3.23Å; Q396-D400 PolarHBondContact O-N 2.79Å
401S93.2Very high93Very high25 Ų2549.9 Ų49.918%0.17527%0.268CS..  trans-71.7137.7178-174.20000112H398 L399 V403 R407H398-S401 WeakPolarHBondContact O-CB 3.46Å; H398-S401 PolarHBondContact O-N 3.48Å; L399-S401 PolarHBondContact O-N 2.86Å; S401-V403 PolarHBondContact O-N 3.21Å; S401-V403 PolarHBondContact OG-N 3.21Å; S401-R407 WeakPolarHBondContact O-CD 3.44Å; S401-R407 VanDerWaalsContact O-CG 3.23Å; S401-R407 WeakPolarHBondContact O-CG 3.24Å; S401-R407 PolarHBondContact O-NE 3.48Å
402S90.3Very high93Very high114 Ų11449.7 Ų49.780%0.79727%0.267SS*.SBendtrans-70.3-15172.257.70000113.1
403V91.8Very high93.2Very high71 Ų7145 Ų4543%0.4324%0.242SC..  trans-85.2118.8-177.5-177.20000110.3S401 R405 V406 R407S401-V403 PolarHBondContact O-N 3.21Å; S401-V403 PolarHBondContact OG-N 3.21Å; V403-R405 VanDerWaalsContact C-N 3.34Å; V403-R405 HydrophobicContact CG1-CB 4.38Å; V403-R405 PolarHBondContact O-N 3.45Å; V403-V406 HydrophobicContact CB-CB 4.18Å; V403-V406 HydrophobicContact CB-CG2 3.87Å; V403-V406 HydrophobicContact CG1-CB 4.49Å; V403-V406 HydrophobicContact CG1-CG2 3.92Å; V403-V406 PolarHBondContact O-N 3.01Å; V403-R407 PolarHBondContact O-N 3.46Å; V403-R407 VanDerWaalsContact O-N 3.14Å
404V91.5Very high93.2Very high80 Ų8043.6 Ų43.649%0.48523%0.228SC..Hα-helixtrans-56.7-44-178.11780000112.3V406 R407 R408V404-V406 VanDerWaalsContact C-N 3.34Å; V404-V406 PolarHBondContact O-N 2.92Å; V404-R407 PolarHBondContact O-N 3.34Å; V404-R408 WeakPolarHBondContact O-CB 3.42Å; V404-R408 PolarHBondContact O-N 2.98Å
405R93.1Very high93.1Very high107 Ų10744.7 Ų44.740%0.40423%0.233SC..Hα-helixtrans-61.1-39.7179.5-69.2179.569.5-160.3-1.8112.7L358 V403 R408 M409 E437L358-R405 HydrophobicContact CD1-CB 4.46Å; L358-R405 HydrophobicContact CD2-CB 4.06Å; L358-R405 VanDerWaalsContact CD2-NH1 3.25Å; V403-R405 VanDerWaalsContact C-N 3.34Å; V403-R405 HydrophobicContact CG1-CB 4.38Å; V403-R405 PolarHBondContact O-N 3.45Å; R405-R408 PolarHBondContact O-N 2.87Å; R405-M409 WeakPolarHBondContact O-CB 3.45Å; R405-M409 PolarHBondContact O-N 3.19Å; R405-E437 IonicContact CZ-OE1 3.49Å; R405-E437 IonicContact CZ-OE2 2.69Å; R405-E437 IonicContact NE-OE2 3.66Å; R405-E437 PolarHBondContact NE-OE2 3.44Å; R405-E437 IonicContact NH2-OE1 3.01Å; R405-E437 PolarHBondContact NH2-OE1 2.91Å; R405-E437 IonicContact NH2-OE2 3.56Å; R405-E437 PolarHBondContact NH2-OE2 3.42Å
406V93.7Very high93.1Very high7 Ų744 Ų444%0.04223%0.23CC..Hα-helixtrans-66-46.2176.7177.30000110.7V353 L358 H398 V403 V404 R408 M409 G410V353-V406 HydrophobicContact CG1-CG1 3.76Å; L358-V406 HydrophobicContact CD1-CG2 3.66Å; H398-V406 HydrophobicContact CB-CG1 4.34Å; H398-V406 WeakPolarHBondContact ND1-CG1 3.47Å; V403-V406 HydrophobicContact CB-CB 4.18Å; V403-V406 HydrophobicContact CB-CG2 3.87Å; V403-V406 HydrophobicContact CG1-CB 4.49Å; V403-V406 HydrophobicContact CG1-CG2 3.92Å; V403-V406 PolarHBondContact O-N 3.01Å; V404-V406 VanDerWaalsContact C-N 3.34Å; V404-V406 PolarHBondContact O-N 2.92Å; V406-R408 VanDerWaalsContact C-N 3.33Å; V406-R408 PolarHBondContact O-N 3.39Å; V406-M409 PolarHBondContact O-N 2.99Å; V406-G410 PolarHBondContact O-N 3.4Å
407R93.5Very high93Very high98 Ų9838.1 Ų38.137%0.3720%0.203SC..Hα-helixtrans-58.8-44.1175.2-66.1-169.7-75.8168.9-1.4112H398 L399 S401 V403 V404 G410 M411H398-R407 VanDerWaalsContact O-CG 3.31Å; H398-R407 WeakPolarHBondContact O-CG 3.49Å; L399-R407 HydrophobicContact CD2-CB 4.46Å; L399-R407 VanDerWaalsContact O-CD 3.25Å; L399-R407 WeakPolarHBondContact O-CD 3.36Å; S401-R407 WeakPolarHBondContact O-CD 3.44Å; S401-R407 VanDerWaalsContact O-CG 3.23Å; S401-R407 WeakPolarHBondContact O-CG 3.24Å; S401-R407 PolarHBondContact O-NE 3.48Å; V403-R407 PolarHBondContact O-N 3.46Å; V403-R407 VanDerWaalsContact O-N 3.14Å; V404-R407 PolarHBondContact O-N 3.34Å; R407-G410 PolarHBondContact O-N 3.03Å; R407-M411 WeakPolarHBondContact O-CG 3.3Å; R407-M411 PolarHBondContact O-N 2.9Å
408R93.8Very high92.8Very high27 Ų2737.2 Ų37.210%0.10220%0.196CC..Hα-helixtrans-59.3-49.9177.8-172.3-179.3-58.2-174.9-6.9111.8V404 R405 V406 G410 M411 V412 Y432 E433 D435 T438V404-R408 WeakPolarHBondContact O-CB 3.42Å; V404-R408 PolarHBondContact O-N 2.98Å; R405-R408 PolarHBondContact O-N 2.87Å; V406-R408 VanDerWaalsContact C-N 3.33Å; V406-R408 PolarHBondContact O-N 3.39Å; R408-G410 VanDerWaalsContact C-N 3.32Å; R408-G410 PolarHBondContact O-N 3.25Å; R408-M411 HydrophobicContact CB-CE 4.46Å; R408-M411 PolarHBondContact O-N 3.38Å; R408-V412 WeakPolarHBondContact O-CG2 3.43Å; R408-V412 PolarHBondContact O-N 3.12Å; R408-Y432 HydrophobicContact CG-CD2 4.3Å; R408-Y432 HydrophobicContact CG-CG 4.38Å; R408-E433 IonicContact CZ-OE2 3.11Å; R408-E433 IonicContact NH1-OE2 3.67Å; R408-E433 IonicContact NH2-OE2 3.85Å; R408-E433 PolarHBondContact NH2-OE2 2.96Å; R408-D435 IonicContact CZ-OD2 3.67Å; R408-D435 IonicContact NH1-OD2 3.81Å; R408-D435 PolarHBondContact NH1-OD2 3.46Å; R408-T438 HydrophobicContact CG-CG2 3.56Å
409M94.7Very high92.4Very high11 Ų1140 Ų405%0.05422%0.216CC..Hα-helixtrans-57.8-43.7175.2179173.355.300112.1L358 Q361 L362 S365 R405 V406 M411 V412 V413 L441L358-M409 HydrophobicContact CD1-CE 4.13Å; Q361-M409 HydrophobicContact CB-CE 3.54Å; Q361-M409 HydrophobicContact CB-SD 4.24Å; L362-M409 HydrophobicContact CB-SD 4.19Å; L362-M409 HydrophobicContact CD1-SD 4.18Å; S365-M409 PolarHBondContact OG-SD 2.64Å; S365-M409 VanDerWaalsContact OG-SD 3.33Å; R405-M409 WeakPolarHBondContact O-CB 3.45Å; R405-M409 PolarHBondContact O-N 3.19Å; V406-M409 PolarHBondContact O-N 2.99Å; M409-M411 PolarHBondContact O-N 2.65Å; M409-V412 PolarHBondContact O-N 3.43Å; M409-V413 HydrophobicContact CG-CG2 4.47Å; M409-V413 WeakPolarHBondContact O-CB 3.3Å; M409-V413 VanDerWaalsContact O-CG2 3.31Å; M409-V413 WeakPolarHBondContact O-CG2 3.48Å; M409-V413 PolarHBondContact O-N 3.4Å; M409-L441 HydrophobicContact CG-CD1 4.36Å
410G94.4Very high92Very high0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-58.3-43.8174.800000113.6V406 R407 R408 G414V406-G410 PolarHBondContact O-N 3.4Å; R407-G410 PolarHBondContact O-N 3.03Å; R408-G410 VanDerWaalsContact C-N 3.32Å; R408-G410 PolarHBondContact O-N 3.25Å; G410-G414 PolarHBondContact O-N 3.23Å
411M93.4Very high91.5Very high30 Ų3035.3 Ų35.315%0.14819%0.185CC..Hα-helixtrans-63.5-52.3176.1-69.7-176.9-6700111.4L399 R407 R408 M409 V413 G414 E415 F430 Y432L399-M411 HydrophobicContact CD2-CG 3.65Å; L399-M411 HydrophobicContact CD2-SD 4.13Å; R407-M411 WeakPolarHBondContact O-CG 3.3Å; R407-M411 PolarHBondContact O-N 2.9Å; R408-M411 HydrophobicContact CB-CE 4.46Å; R408-M411 PolarHBondContact O-N 3.38Å; M409-M411 PolarHBondContact O-N 2.65Å; M411-V413 PolarHBondContact O-N 3.3Å; M411-G414 PolarHBondContact O-N 3.39Å; M411-G414 VanDerWaalsContact O-N 3.15Å; M411-E415 WeakPolarHBondContact O-CG 3.43Å; M411-E415 PolarHBondContact O-N 3.04Å; M411-F430 HydrophobicContact CB-CB 4.14Å; M411-F430 HydrophobicContact CB-CD2 4.01Å; M411-F430 HydrophobicContact CB-CG 4.05Å; M411-F430 HydrophobicContact CG-CB 4.23Å; M411-F430 HydrophobicContact CG-CD1 4.09Å; M411-F430 HydrophobicContact CG-CD2 4.21Å; M411-F430 HydrophobicContact CG-CG 3.93Å; M411-F430 HydrophobicContact SD-CB 3.89Å; M411-F430 HydrophobicContact SD-CD1 3.98Å; M411-F430 HydrophobicContact SD-CG 4.02Å; M411-Y432 HydrophobicContact CB-CD1 4.15Å; M411-Y432 HydrophobicContact CB-CE1 4.38Å; M411-Y432 HydrophobicContact CE-CD1 4.34Å; M411-Y432 HydrophobicContact CE-CG 4.5Å
412V93.9Very high90.5Very high0 Ų038.6 Ų38.60%020%0.201CC..Hα-helixtrans-59.2-48.5-178.1175.70000111.6R408 M409 G414 E415 C416 Y432 T438 L441 L442R408-V412 WeakPolarHBondContact O-CG2 3.43Å; R408-V412 PolarHBondContact O-N 3.12Å; M409-V412 PolarHBondContact O-N 3.43Å; V412-G414 VanDerWaalsContact C-N 3.3Å; V412-G414 PolarHBondContact O-N 2.98Å; V412-E415 PolarHBondContact O-N 3.24Å; V412-C416 WeakPolarHBondContact O-CB 3.39Å; V412-C416 PolarHBondContact O-N 3.01Å; V412-C416 PolarHBondContact O-SG 3.22Å; V412-Y432 HydrophobicContact CG2-CD2 4.18Å; V412-Y432 HydrophobicContact CG2-CE1 4.07Å; V412-Y432 HydrophobicContact CG2-CE2 3.57Å; V412-T438 HydrophobicContact CG2-CG2 3.72Å; V412-L441 HydrophobicContact CG1-CB 3.71Å; V412-L441 HydrophobicContact CG1-CD1 4.24Å; V412-L442 HydrophobicContact CG1-CD2 4Å; V412-L442 HydrophobicContact CG1-CG 4Å
413V94.3Very high89.2Confident0 Ų035 Ų350%017%0.174CC..Hα-helixtrans-62.8-40.3177.8174.20000110.7W347 L368 L369 M409 M411 E415 C416 L417W347-V413 HydrophobicContact CD2-CG1 4.46Å; W347-V413 HydrophobicContact CH2-CB 4.2Å; W347-V413 HydrophobicContact CH2-CG1 3.81Å; W347-V413 HydrophobicContact CZ2-CB 3.57Å; W347-V413 HydrophobicContact CZ2-CG1 3.42Å; W347-V413 VanDerWaalsContact CZ2-CG1 3.42Å; W347-V413 HydrophobicContact CZ2-CG2 4.18Å; W347-V413 HydrophobicContact CZ3-CG1 4.46Å; L368-V413 HydrophobicContact CD2-CG1 4.2Å; L369-V413 HydrophobicContact CD1-CG2 4.27Å; L369-V413 HydrophobicContact CD2-CG1 4.04Å; L369-V413 HydrophobicContact CG-CG2 4.43Å; M409-V413 HydrophobicContact CG-CG2 4.47Å; M409-V413 WeakPolarHBondContact O-CB 3.3Å; M409-V413 VanDerWaalsContact O-CG2 3.31Å; M409-V413 WeakPolarHBondContact O-CG2 3.48Å; M409-V413 PolarHBondContact O-N 3.4Å; M411-V413 PolarHBondContact O-N 3.3Å; V413-E415 PolarHBondContact O-N 3Å; V413-C416 PolarHBondContact O-N 2.98Å; V413-L417 HydrophobicContact CG1-CD1 3.99Å; V413-L417 HydrophobicContact CG1-CG 4.24Å; V413-L417 VanDerWaalsContact O-CG 3.3Å; V413-L417 WeakPolarHBondContact O-CG 3.38Å; V413-L417 PolarHBondContact O-N 3.38Å
414G92.4Very high87.5Confident0 Ų038.8 Ų38.80%019%0.192CC..Hα-helixtrans-59.5-44.2175.400000113.3G410 M411 V412 S418G410-G414 PolarHBondContact O-N 3.23Å; M411-G414 PolarHBondContact O-N 3.39Å; M411-G414 VanDerWaalsContact O-N 3.15Å; V412-G414 VanDerWaalsContact C-N 3.3Å; V412-G414 PolarHBondContact O-N 2.98Å; G414-S418 WeakPolarHBondContact O-CB 3.26Å; G414-S418 PolarHBondContact O-N 3.25Å
415E90.9Very high85.9Confident24 Ų2438 Ų3811%0.11220%0.2CC..Hα-helixtrans-62.7-47.5174.6-67-176.3161.900112M411 V412 V413 L417 S418 S419 K429 F430 Y432M411-E415 WeakPolarHBondContact O-CG 3.43Å; M411-E415 PolarHBondContact O-N 3.04Å; V412-E415 PolarHBondContact O-N 3.24Å; V413-E415 PolarHBondContact O-N 3Å; E415-L417 PolarHBondContact O-N 3.23Å; E415-S418 PolarHBondContact O-N 3.39Å; E415-S419 VanDerWaalsContact O-CB 3.27Å; E415-S419 WeakPolarHBondContact O-CB 3.49Å; E415-S419 PolarHBondContact O-N 2.97Å; E415-S419 PolarHBondContact O-OG 3.48Å; E415-K429 WeakPolarHBondContact OE1-CA 3.13Å; E415-F430 HydrophobicContact CG-CD2 3.73Å; E415-F430 HydrophobicContact CG-CE2 4.37Å; E415-F430 WeakPolarHBondContact OE1-CA 3.45Å; E415-F430 WeakPolarHBondContact OE1-CB 3.45Å; E415-F430 PolarHBondContact OE1-N 2.99Å; E415-Y432 WeakPolarHBondContact OE1-CE1 3.48Å; E415-Y432 WeakPolarHBondContact OE2-CE1 3.24Å; E415-Y432 PolarHBondContact OE2-OH 3.16Å
416C91.3Very high84.4Confident5 Ų536.1 Ų36.13%0.03421%0.207CC..Hα-helixtrans-56.3-49.7178-80.40000111.5L369 V412 V413 S419 R420 M445L369-C416 HydrophobicContact CD1-CB 4.33Å; L369-C416 HydrophobicContact CD2-CB 3.49Å; L369-C416 VanDerWaalsContact CD2-CB 3.49Å; V412-C416 WeakPolarHBondContact O-CB 3.39Å; V412-C416 PolarHBondContact O-N 3.01Å; V412-C416 PolarHBondContact O-SG 3.22Å; V413-C416 PolarHBondContact O-N 2.98Å; C416-S419 PolarHBondContact O-N 3.12Å; C416-S419 PolarHBondContact O-OG 3.26Å; C416-R420 PolarHBondContact O-N 3.3Å; C416-R420 VanDerWaalsContact O-N 3.17Å; C416-M445 HydrophobicContact CB-CG 3.81Å
417L91.1Very high83.2Confident0 Ų042.7 Ų42.70%024%0.235CC..Hα-helixtrans-65.4-45.1178.1-65.7-179.8000112L368 L369 V372 M391 V413 E415 S419 R420 M421L368-L417 HydrophobicContact CD2-CD1 4.45Å; L369-L417 HydrophobicContact CD2-CD2 4.34Å; L369-L417 HydrophobicContact CD2-CG 4.5Å; V372-L417 HydrophobicContact CB-CD2 4.1Å; V372-L417 HydrophobicContact CG1-CD2 3.93Å; V372-L417 HydrophobicContact CG2-CD2 3.74Å; M391-L417 HydrophobicContact CB-CB 4.5Å; M391-L417 HydrophobicContact CB-CD1 4.06Å; M391-L417 HydrophobicContact CG-CB 4.19Å; M391-L417 HydrophobicContact CG-CD1 4.3Å; M391-L417 HydrophobicContact SD-CB 3.96Å; V413-L417 HydrophobicContact CG1-CD1 3.99Å; V413-L417 HydrophobicContact CG1-CG 4.24Å; V413-L417 VanDerWaalsContact O-CG 3.3Å; V413-L417 WeakPolarHBondContact O-CG 3.38Å; V413-L417 PolarHBondContact O-N 3.38Å; E415-L417 PolarHBondContact O-N 3.23Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 2.91Å; L417-R420 PolarHBondContact O-N 3.02Å; L417-M421 VanDerWaalsContact O-CG 3.25Å; L417-M421 WeakPolarHBondContact O-CG 3.41Å; L417-M421 PolarHBondContact O-N 3.06Å; L417-M421 VanDerWaalsContact O-N 3.12Å
418S89.3Confident82.5Confident2 Ų241.2 Ų41.21%0.01423%0.234CC..Hα-helixtrans-59-42.5177.3175.50000111.9G414 E415 D422 L428G414-S418 WeakPolarHBondContact O-CB 3.26Å; G414-S418 PolarHBondContact O-N 3.25Å; E415-S418 PolarHBondContact O-N 3.39Å; S418-D422 PolarHBondContact O-N 3.47Å; S418-L428 PolarHBondContact OG-N 2.83Å
419S87.3Confident81.9Confident59 Ų5949 Ų4941%0.41327%0.269SS..Hα-helixtrans-66-37.9179.976.90000112.7E415 C416 L417E415-S419 VanDerWaalsContact O-CB 3.27Å; E415-S419 WeakPolarHBondContact O-CB 3.49Å; E415-S419 PolarHBondContact O-N 2.97Å; E415-S419 PolarHBondContact O-OG 3.48Å; C416-S419 PolarHBondContact O-N 3.12Å; C416-S419 PolarHBondContact O-OG 3.26Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 2.91Å
420R86.1Confident81.5Confident77 Ų7751.3 Ų51.329%0.29128%0.278SS..Hα-helixtrans-73.2-35.6179.6-175.166.4179.71191.8112.4V372 L375 D377 L380 C416 L417 M445V372-R420 HydrophobicContact CG1-CG 4.08Å; L375-R420 PolarHBondContact O-NH2 2.9Å; D377-R420 IonicContact OD1-CZ 3.85Å; D377-R420 IonicContact OD1-NH1 3.4Å; D377-R420 PolarHBondContact OD1-NH1 2.7Å; D377-R420 IonicContact OD1-NH2 3.36Å; D377-R420 PolarHBondContact OD1-NH2 2.86Å; L380-R420 HydrophobicContact CD1-CG 4.27Å; L380-R420 HydrophobicContact CD2-CG 4.18Å; L380-R420 WeakPolarHBondContact CD2-O 3.39Å; C416-R420 PolarHBondContact O-N 3.3Å; C416-R420 VanDerWaalsContact O-N 3.17Å; L417-R420 PolarHBondContact O-N 3.02Å; R420-M445 HydrophobicContact CB-CE 3.54Å; R420-M445 HydrophobicContact CG-CE 3.73Å
421M82.2Confident81Confident4 Ų460.5 Ų60.52%0.0232%0.321CS..Hα-helixtrans-83.3-14.5-174.2-64.5175.471.200114.7L380 R384 L387 L388 L417 V423L380-M421 HydrophobicContact CD1-CG 4.26Å; R384-M421 HydrophobicContact CB-CE 4.3Å; R384-M421 HydrophobicContact CG-CE 3.68Å; R384-M421 PolarHBondContact NH1-O 3.05Å; R384-M421 WeakPolarHBondContact O-CE 3.32Å; L387-M421 HydrophobicContact CB-CE 3.58Å; L387-M421 HydrophobicContact CB-SD 3.65Å; L387-M421 HydrophobicContact CD1-SD 4.41Å; L388-M421 HydrophobicContact CB-CE 4.45Å; L388-M421 HydrophobicContact CD2-CE 3.92Å; L388-M421 HydrophobicContact CD2-SD 4.48Å; L388-M421 HydrophobicContact CG-CE 3.61Å; L417-M421 VanDerWaalsContact O-CG 3.25Å; L417-M421 WeakPolarHBondContact O-CG 3.41Å; L417-M421 PolarHBondContact O-N 3.06Å; L417-M421 VanDerWaalsContact O-N 3.12Å; M421-V423 HydrophobicContact CB-CG2 4.2Å
422D71.8Confident80.7Confident95 Ų9560.6 Ų60.651%0.50832%0.32SS..THydrogen-bonded Turntrans45.371.3-174.9-159.73.3000112.2R384 S418 N424 G425R384-D422 PolarHBondContact NH2-O 3.32Å; S418-D422 PolarHBondContact O-N 3.47Å; D422-N424 PolarHBondContact O-N 3.18Å; D422-G425 PolarHBondContact OD1-N 3.23Å
423V62.7Low80.2Confident37 Ų3767.1 Ų67.122%0.22435%0.351CS..  trans-77.787.7179.3-169.80000109.2L388 M421 G425 A426L388-V423 HydrophobicContact CD2-CG2 3.85Å; M421-V423 HydrophobicContact CB-CG2 4.2Å; V423-G425 VanDerWaalsContact C-N 3.26Å; V423-G425 PolarHBondContact O-N 3.32Å; V423-G425 VanDerWaalsContact O-N 3.14Å; V423-A426 PolarHBondContact O-N 3.47Å
424N55.4Low79.7Confident152 Ų15273.1 Ų73.181%0.81338%0.379SS*.THydrogen-bonded Turntrans54.834.2171.4-58.6-21.4000114.3D422 A426D422-N424 PolarHBondContact O-N 3.18Å; N424-A426 PolarHBondContact O-N 3.04Å
425G58.1Low79.5Confident63 Ų6375.2 Ų75.265%0.64939%0.39SS*.THydrogen-bonded Turntrans72.2-0.5-179.200000115.6D422 V423D422-G425 PolarHBondContact OD1-N 3.23Å; V423-G425 VanDerWaalsContact C-N 3.26Å; V423-G425 PolarHBondContact O-N 3.32Å; V423-G425 VanDerWaalsContact O-N 3.14Å
426A61.3Low79.4Confident67 Ų6782.4 Ų82.455%0.55442%0.423SS*.  trans-94.596.917500000109.7V423 N424V423-A426 PolarHBondContact O-N 3.47Å; N424-A426 PolarHBondContact O-N 3.04Å
427K69.3Low79.3Confident146 Ų14685.1 Ų85.164%0.63544%0.436SS*.  trans-82.1122.4172.7-65.2-177.8179.4-176.90108.9K429K427-K429 PolarHBondContact O-N 3.5Å
428L79.3Confident79.2Confident66 Ų6685.3 Ų85.335%0.34644%0.437SS..  trans-62.4130.3169.5-83.2150.8000108.7M391 S418 F430M391-L428 HydrophobicContact CE-CD1 4.24Å; S418-L428 PolarHBondContact OG-N 2.83Å; L428-F430 HydrophobicContact CB-CE2 4.15Å; L428-F430 HydrophobicContact CD2-CE2 4.01Å; L428-F430 HydrophobicContact CD2-CZ 3.85Å
429K81.5Confident79.2Confident192 Ų19290.7 Ų90.784%0.83546%0.462SS*.  trans-139.5122.9174.3-164.8175.7-176.4-178.90108.7E415 K427E415-K429 WeakPolarHBondContact OE1-CA 3.13Å; K427-K429 PolarHBondContact O-N 3.5Å
430F85.9Confident79.4Confident58 Ų5890.4 Ų90.425%0.25445%0.454SS..  trans-111.2159.7-179.4-65.4-81.9000109.3M395 M411 E415 L428 Y432M395-F430 HydrophobicContact CE-CZ 4.27Å; M395-F430 HydrophobicContact SD-CE2 3.74Å; M395-F430 HydrophobicContact SD-CZ 3.54Å; M395-F430 VanDerWaalsContact SD-CZ 3.54Å; M411-F430 HydrophobicContact CB-CB 4.14Å; M411-F430 HydrophobicContact CB-CD2 4.01Å; M411-F430 HydrophobicContact CB-CG 4.05Å; M411-F430 HydrophobicContact CG-CB 4.23Å; M411-F430 HydrophobicContact CG-CD1 4.09Å; M411-F430 HydrophobicContact CG-CD2 4.21Å; M411-F430 HydrophobicContact CG-CG 3.93Å; M411-F430 HydrophobicContact SD-CB 3.89Å; M411-F430 HydrophobicContact SD-CD1 3.98Å; M411-F430 HydrophobicContact SD-CG 4.02Å; E415-F430 HydrophobicContact CG-CD2 3.73Å; E415-F430 HydrophobicContact CG-CE2 4.37Å; E415-F430 WeakPolarHBondContact OE1-CA 3.45Å; E415-F430 WeakPolarHBondContact OE1-CB 3.45Å; E415-F430 PolarHBondContact OE1-N 2.99Å; L428-F430 HydrophobicContact CB-CE2 4.15Å; L428-F430 HydrophobicContact CD2-CE2 4.01Å; L428-F430 HydrophobicContact CD2-CZ 3.85Å; F430-Y432 HydrophobicContact CB-CD1 3.94Å; F430-Y432 HydrophobicContact CB-CE1 4.11Å
431E83.4Confident79.7Confident193 Ų19386.9 Ų86.990%0.90244%0.441SS*.  trans-104118.1173.7-65.8179.7177.500108.6
432Y87.3Confident80Confident32 Ų3289.5 Ų89.513%0.12546%0.455CS..  trans-148.9158.2176.251.4-97.1000111.3R408 M411 V412 E415 F430 H434 T438R408-Y432 HydrophobicContact CG-CD2 4.3Å; R408-Y432 HydrophobicContact CG-CG 4.38Å; M411-Y432 HydrophobicContact CB-CD1 4.15Å; M411-Y432 HydrophobicContact CB-CE1 4.38Å; M411-Y432 HydrophobicContact CE-CD1 4.34Å; M411-Y432 HydrophobicContact CE-CG 4.5Å; V412-Y432 HydrophobicContact CG2-CD2 4.18Å; V412-Y432 HydrophobicContact CG2-CE1 4.07Å; V412-Y432 HydrophobicContact CG2-CE2 3.57Å; E415-Y432 WeakPolarHBondContact OE1-CE1 3.48Å; E415-Y432 WeakPolarHBondContact OE2-CE1 3.24Å; E415-Y432 PolarHBondContact OE2-OH 3.16Å; F430-Y432 HydrophobicContact CB-CD1 3.94Å; F430-Y432 HydrophobicContact CB-CE1 4.11Å; Y432-H434 PolarHBondContact O-ND1 2.91Å; Y432-H434 VanDerWaalsContact O-ND1 3.14Å; Y432-T438 HydrophobicContact CD2-CG2 4.3Å; Y432-T438 HydrophobicContact CE2-CG2 4.33Å
433E82.9Confident80.9Confident138 Ų13887.9 Ų87.965%0.64545%0.451SS*.  trans-68.8134.5175-57.5170.6169.400109.9R408R408-E433 IonicContact CZ-OE2 3.11Å; R408-E433 IonicContact NH1-OE2 3.67Å; R408-E433 IonicContact NH2-OE2 3.85Å; R408-E433 PolarHBondContact NH2-OE2 2.96Å
434H85.3Confident82.1Confident125 Ų12587.3 Ų87.358%0.57945%0.446SS*.  trans-88.8118.1176.9-6555.2000108.6Y432 T438Y432-H434 PolarHBondContact O-ND1 2.91Å; Y432-H434 VanDerWaalsContact O-ND1 3.14Å; H434-T438 WeakPolarHBondContact CA-OG1 3.34Å
435D88.3Confident83.1Confident44 Ų4481.4 Ų81.424%0.23541%0.414CS..  trans-122.8172.3171.960.319.9000110.4R408 E437 T438 E439R408-D435 IonicContact CZ-OD2 3.67Å; R408-D435 IonicContact NH1-OD2 3.81Å; R408-D435 PolarHBondContact NH1-OD2 3.46Å; D435-E437 PolarHBondContact O-N 3.33Å; D435-E437 VanDerWaalsContact O-N 3.13Å; D435-E437 PolarHBondContact OD1-N 3.35Å; D435-T438 PolarHBondContact N-OG1 3.49Å; D435-T438 PolarHBondContact O-N 3.09Å; D435-T438 VanDerWaalsContact O-N 3.14Å; D435-T438 PolarHBondContact O-OG1 2.9Å; D435-T438 WeakPolarHBondContact OD1-CB 3.46Å; D435-T438 VanDerWaalsContact OD1-CG2 3.27Å; D435-T438 WeakPolarHBondContact OD1-CG2 3.45Å; D435-T438 PolarHBondContact OD1-N 3.21Å; D435-T438 PolarHBondContact OD1-OG1 3.37Å; D435-E439 WeakPolarHBondContact O-CG 3.32Å; D435-E439 PolarHBondContact O-N 3Å
436E88.4Confident83.5Confident175 Ų17582.8 Ų82.882%0.81841%0.41SS*.Hα-helixtrans-53.2-35.4-179.7-63.1178.1-18000112.7E440E436-E440 WeakPolarHBondContact O-CB 3.46Å; E436-E440 PolarHBondContact O-N 2.85Å
437E88.4Confident83.2Confident63 Ų6385 Ų8529%0.29442%0.419SS..Hα-helixtrans-70.9-44.4180-61.1-174.8155.200112R405 D435 E440 L441R405-E437 IonicContact CZ-OE1 3.49Å; R405-E437 IonicContact CZ-OE2 2.69Å; R405-E437 IonicContact NE-OE2 3.66Å; R405-E437 PolarHBondContact NE-OE2 3.44Å; R405-E437 IonicContact NH2-OE1 3.01Å; R405-E437 PolarHBondContact NH2-OE1 2.91Å; R405-E437 IonicContact NH2-OE2 3.56Å; R405-E437 PolarHBondContact NH2-OE2 3.42Å; D435-E437 PolarHBondContact O-N 3.33Å; D435-E437 VanDerWaalsContact O-N 3.13Å; D435-E437 PolarHBondContact OD1-N 3.35Å; E437-E440 PolarHBondContact O-N 3.49Å; E437-L441 WeakPolarHBondContact O-CG 3.31Å; E437-L441 PolarHBondContact O-N 3.39Å
438T89.6Confident82.1Confident4 Ų485.3 Ų85.33%0.02543%0.427CS..Hα-helixtrans-67.5-40.6176.854.90000112.5R408 V412 Y432 H434 D435 E440 L441 L442R408-T438 HydrophobicContact CG-CG2 3.56Å; V412-T438 HydrophobicContact CG2-CG2 3.72Å; Y432-T438 HydrophobicContact CD2-CG2 4.3Å; Y432-T438 HydrophobicContact CE2-CG2 4.33Å; H434-T438 WeakPolarHBondContact CA-OG1 3.34Å; D435-T438 PolarHBondContact N-OG1 3.49Å; D435-T438 PolarHBondContact O-N 3.09Å; D435-T438 VanDerWaalsContact O-N 3.14Å; D435-T438 PolarHBondContact O-OG1 2.9Å; D435-T438 WeakPolarHBondContact OD1-CB 3.46Å; D435-T438 VanDerWaalsContact OD1-CG2 3.27Å; D435-T438 WeakPolarHBondContact OD1-CG2 3.45Å; D435-T438 PolarHBondContact OD1-N 3.21Å; D435-T438 PolarHBondContact OD1-OG1 3.37Å; T438-E440 VanDerWaalsContact C-N 3.34Å; T438-L441 PolarHBondContact O-N 3.4Å; T438-L442 WeakPolarHBondContact O-CB 3.24Å; T438-L442 VanDerWaalsContact O-CG 3.27Å; T438-L442 WeakPolarHBondContact O-CG 3.32Å; T438-L442 PolarHBondContact O-N 3.03Å
439E89.1Confident80Confident115 Ų11587.2 Ų87.254%0.53745%0.445SS..Hα-helixtrans-63.2-42.3175.9-70.9-173.7171.900111.1D435 L442 S443D435-E439 WeakPolarHBondContact O-CG 3.32Å; D435-E439 PolarHBondContact O-N 3Å; E439-L442 PolarHBondContact O-N 3.29Å; E439-S443 PolarHBondContact O-N 3.26Å; E439-S443 VanDerWaalsContact O-N 3.11Å
440E91.5Very high77.8Confident53 Ų5386.4 Ų86.425%0.24845%0.445CS..Hα-helixtrans-58.3-53.2173.3-171.3-167178.800110.7T316 R366 E436 E437 T438 L442 S443 L444T316-E440 WeakPolarHBondContact CB-OE1 3.2Å; T316-E440 PolarHBondContact OG1-OE1 3.02Å; R366-E440 IonicContact CZ-OE1 3.13Å; R366-E440 IonicContact CZ-OE2 2.7Å; R366-E440 VanDerWaalsContact CZ-OE2 3.26Å; R366-E440 IonicContact NE-OE1 2.76Å; R366-E440 PolarHBondContact NE-OE1 2.99Å; R366-E440 IonicContact NE-OE2 3.33Å; R366-E440 PolarHBondContact NE-OE2 2.93Å; R366-E440 VanDerWaalsContact NE-OE2 3.13Å; R366-E440 IonicContact NH2-OE1 3.66Å; R366-E440 IonicContact NH2-OE2 3.79Å; R366-E440 PolarHBondContact NH2-OE2 2.93Å; E436-E440 WeakPolarHBondContact O-CB 3.46Å; E436-E440 PolarHBondContact O-N 2.85Å; E437-E440 PolarHBondContact O-N 3.49Å; T438-E440 VanDerWaalsContact C-N 3.34Å; E440-L442 VanDerWaalsContact C-N 3.32Å; E440-L442 PolarHBondContact O-N 2.86Å; E440-S443 WeakPolarHBondContact O-CB 3.36Å; E440-S443 PolarHBondContact O-N 3.48Å; E440-S443 PolarHBondContact O-OG 3.2Å; E440-L444 WeakPolarHBondContact O-CG 3.36Å; E440-L444 PolarHBondContact O-N 3.4Å
441L91.8Very high75.1Confident3 Ų391.8 Ų91.82%0.01647%0.471CS..Hα-helixtrans-59-40-178.2-73.1175.5000113.1L362 R366 L369 M409 V412 E437 T438 S443 L444L362-L441 HydrophobicContact CD1-CD1 3.93Å; L362-L441 HydrophobicContact CD1-CD2 4.19Å; L362-L441 HydrophobicContact CD1-CG 4.25Å; R366-L441 HydrophobicContact CG-CD2 3.75Å; L369-L441 HydrophobicContact CD1-CB 4.12Å; L369-L441 HydrophobicContact CD1-CD2 3.99Å; L369-L441 WeakPolarHBondContact CD1-O 3.19Å; M409-L441 HydrophobicContact CG-CD1 4.36Å; V412-L441 HydrophobicContact CG1-CB 3.71Å; V412-L441 HydrophobicContact CG1-CD1 4.24Å; E437-L441 WeakPolarHBondContact O-CG 3.31Å; E437-L441 PolarHBondContact O-N 3.39Å; T438-L441 PolarHBondContact O-N 3.4Å; L441-S443 VanDerWaalsContact C-N 3.3Å; L441-S443 PolarHBondContact O-N 2.89Å; L441-L444 HydrophobicContact CD2-CD1 4.22Å; L441-L444 PolarHBondContact O-N 3.45Å
442L89.3Confident72.5Confident58 Ų5890.9 Ų90.930%0.30447%0.466SS..Hα-helixtrans-63.7-37176.2-72168.8000111.7V412 T438 E439 E440 L444V412-L442 HydrophobicContact CG1-CD2 4Å; V412-L442 HydrophobicContact CG1-CG 4Å; T438-L442 WeakPolarHBondContact O-CB 3.24Å; T438-L442 VanDerWaalsContact O-CG 3.27Å; T438-L442 WeakPolarHBondContact O-CG 3.32Å; T438-L442 PolarHBondContact O-N 3.03Å; E439-L442 PolarHBondContact O-N 3.29Å; E440-L442 VanDerWaalsContact C-N 3.32Å; E440-L442 PolarHBondContact O-N 2.86Å; L442-L444 VanDerWaalsContact C-N 3.3Å; L442-L444 PolarHBondContact O-N 3.26Å
443S90.5Very high69.7Low61 Ų6195.7 Ų95.743%0.42750%0.499SS..Hα-helixtrans-69.7-21.3-18078.70000114.3E439 E440 L441 M445 T446E439-S443 PolarHBondContact O-N 3.26Å; E439-S443 VanDerWaalsContact O-N 3.11Å; E440-S443 WeakPolarHBondContact O-CB 3.36Å; E440-S443 PolarHBondContact O-N 3.48Å; E440-S443 PolarHBondContact O-OG 3.2Å; L441-S443 VanDerWaalsContact C-N 3.3Å; L441-S443 PolarHBondContact O-N 2.89Å; S443-M445 VanDerWaalsContact C-N 3.26Å; S443-M445 PolarHBondContact O-N 3.21Å; S443-T446 PolarHBondContact O-N 2.9Å; S443-T446 PolarHBondContact O-OG1 3.05Å
444L88Confident67.1Low25 Ų2597.3 Ų97.313%0.13151%0.507CS..THydrogen-bonded Turntrans-71-18.7-175-59.6-179.5000114.3T316 R366 L369 L370 E440 L441 L442T316-L444 HydrophobicContact CG2-CD1 4.05Å; T316-L444 HydrophobicContact CG2-CD2 3.5Å; T316-L444 VanDerWaalsContact CG2-CD2 3.5Å; T316-L444 HydrophobicContact CG2-CG 4.44Å; R366-L444 HydrophobicContact CB-CD1 3.85Å; R366-L444 HydrophobicContact CG-CD1 3.86Å; L369-L444 HydrophobicContact CB-CB 4.22Å; L370-L444 HydrophobicContact CD2-CB 4.16Å; L370-L444 HydrophobicContact CD2-CD2 4.09Å; L370-L444 HydrophobicContact CG-CB 4.36Å; L370-L444 HydrophobicContact CG-CD1 4.37Å; L370-L444 HydrophobicContact CG-CD2 4.44Å; E440-L444 WeakPolarHBondContact O-CG 3.36Å; E440-L444 PolarHBondContact O-N 3.4Å; L441-L444 HydrophobicContact CD2-CD1 4.22Å; L441-L444 PolarHBondContact O-N 3.45Å; L442-L444 VanDerWaalsContact C-N 3.3Å; L442-L444 PolarHBondContact O-N 3.26Å
445M75.6Confident64.4Low29 Ų2996.5 Ų96.514%0.14351%0.513CS..THydrogen-bonded Turntrans-93.4-14.6179.5-68.8-62.9-6600113.2L369 V372 C416 R420 S443L369-M445 HydrophobicContact CB-CG 4.29Å; L369-M445 HydrophobicContact CB-SD 3.95Å; L369-M445 HydrophobicContact CD2-CG 4.17Å; L369-M445 HydrophobicContact CD2-SD 4.03Å; V372-M445 HydrophobicContact CB-CE 4.43Å; V372-M445 HydrophobicContact CG1-CE 4Å; C416-M445 HydrophobicContact CB-CG 3.81Å; R420-M445 HydrophobicContact CB-CE 3.54Å; R420-M445 HydrophobicContact CG-CE 3.73Å; S443-M445 VanDerWaalsContact C-N 3.26Å; S443-M445 PolarHBondContact O-N 3.21Å
446T66.8Low61.7Low91 Ų91103 Ų10356%0.55855%0.547SS*.SBendtrans-79.4128.4170.732.60000109.5S443 L448S443-T446 PolarHBondContact O-N 2.9Å; S443-T446 PolarHBondContact O-OG1 3.05Å; T446-L448 PolarHBondContact O-N 2.66Å
447P54.9Low58.8Low115 Ų115101.9 Ų101.975%0.74755%0.546SS*.  trans-59.5126.7175.223.6-30.2000108.6S449P447-S449 PolarHBondContact O-N 3.1Å
448L46.9Very low56.1Low151 Ų151106.2 Ų106.279%0.79157%0.572SS**  trans-54.4103.8170.3-77.7148.8000107.8T446 E450T446-L448 PolarHBondContact O-N 2.66Å; L448-E450 PolarHBondContact O-N 2.94Å
449S33.8Very low53.3Low106 Ų106117.1 Ų117.174%0.74161%0.612SS**  trans-52.6132.2168.3-61.60000108.1P447 E451P447-S449 PolarHBondContact O-N 3.1Å; S449-E451 PolarHBondContact O-N 3.01Å
450E35.3Very low50.6Low176 Ų176119.2 Ų119.282%0.82263%0.626SS**SBendtrans-6823.5-173.7-65.2-180144.700114.6L448L448-E450 PolarHBondContact O-N 2.94Å
451E30Very low47.5Very low170 Ų170124.6 Ų124.679%0.79466%0.657SS**  trans-115.363-172.2-65.5-172.4172.900112.4S449S449-E451 PolarHBondContact O-N 3.01Å
452E28.2Very low44.2Very low174 Ų174132.3 Ų132.381%0.81370%0.697SS**  trans-130.376.7149.4-74.1-172.5172.600107.7E454E452-E454 VanDerWaalsContact C-N 3.33Å; E452-E454 PolarHBondContact O-N 3.29Å; E452-E454 VanDerWaalsContact O-N 3.13Å
453T29.3Very low42.2Very low134 Ų134134.5 Ų134.582%0.82272%0.715SS**  trans-68.692.5158.835.40000108.4
454E27.2Very low39Very low171 Ų171140.5 Ų140.580%0.79974%0.736SS**  trans-64.2126.4156.6-78.8-89.3146.900108.1E452E452-E454 VanDerWaalsContact C-N 3.33Å; E452-E454 PolarHBondContact O-N 3.29Å; E452-E454 VanDerWaalsContact O-N 3.13Å
455P30.4Very low35.9Very low109 Ų109146 Ų14671%0.70877%0.766SS**  trans-67.8139.5-179.427.3-31.5000110.7D457P455-D457 PolarHBondContact O-N 3.33Å
456L31.1Very low33.5Very low181 Ų181151 Ų15195%0.94879%0.792SS**  trans-59.6102167.7-71.9157000108.9D458L456-D458 PolarHBondContact O-N 3.41Å
457D26.8Very low31.5Very low151 Ų151156.4 Ų156.481%0.80781%0.808SS**  trans-91.795.4172.1-1469.3000109.5P455 R459P455-D457 PolarHBondContact O-N 3.33Å; D457-R459 PolarHBondContact O-N 3.37Å
458D31.8Very low30Very low154 Ų154154.1 Ų154.182%0.82481%0.805SS**  trans-63.6102.3155.4-96.6-30.9000107.6L456L456-D458 PolarHBondContact O-N 3.41Å
459R30.3Very low28.9Very low232 Ų232156.3 Ų156.388%0.87581%0.808SS**  trans-170.2123.5147.5-108.6160.4150.8-174.2-10.6116D457D457-R459 PolarHBondContact O-N 3.37Å
460L33.8Very low28.4Very low159 Ų159156.6 Ų156.683%0.83281%0.805SS**  trans-61.9130.3160-68.3151.1000110.1
461D25.3Very low27.9Very low167 Ų167154.3 Ų154.389%0.89380%0.803SS**  176.8139.6127.2-86.1-25.8000112.2
462L23.3Very low27.8Very low164 Ų164150 Ų15086%0.85979%0.79SS**  trans-93.6176.8170.2-83.2136.4000109.7
463P46.4Very low27.7Very low105 Ų105146.3 Ų146.368%0.68278%0.783SS**  cis-134.1166.4-41.135.1-19.1000112.5
464Q23Very low27.7Very low187 Ų187142.8 Ų142.887%0.87476%0.758SS**  trans-168.6110.8144.4-108.2167.327.800114.2
465D23.5Very low27.6Very low140 Ų140135.5 Ų135.575%0.74973%0.726SS**  48.6121.1129-82-22.3000125.4
466I25.1Very low27.4Very low134 Ų134134.1 Ų134.169%0.68772%0.716SS**  trans75103.6132.3-50.4160.9000118.8
467K24.2Very low27.5Very low205 Ų205128.5 Ų128.589%0.89169%0.69SS**  159.6125.6121.3-88.3166.2-172.2175.70105.4
468G24.3Very low27.4Very low67 Ų67124.7 Ų124.769%0.69168%0.676SS**  cis136.3161.231.300000105.9
469K23.8Very low27.2Very low196 Ų196124.6 Ų124.685%0.85267%0.67SS**  trans76.897.3170.9-80.5178.9172.4-179.20115.5
470T22.4Very low26.9Very low112 Ų112117.5 Ų117.569%0.68766%0.661SS**  75.2102.291.853.20000109.6
471V25.5Very low26.5Very low129 Ų129113.9 Ų113.978%0.78265%0.654SS**  56.7149.564.3-167.50000109.8
472P28.2Very low26.7Very low78 Ų78111.2 Ų111.251%0.50665%0.649SS.*  cis-122.3160.5-16.919.53.9000110.7
473S26.1Very low27Very low97 Ų97109.2 Ų109.268%0.67864%0.643SS**  73.6141.765.9-138.90000114.4
474Q28.4Very low26.1Very low61 Ų61108.7 Ų108.729%0.28565%0.647SS.*  trans93.4141.3159.1-56.6177.5-0.300116.2E524 S528Q474-E524 VanDerWaalsContact NE2-CD 3.29Å; Q474-E524 PolarHBondContact NE2-OE1 3.03Å; Q474-S528 CarbonylContact C-O 3.58Å; Q474-S528 WeakPolarHBondContact CB-O 3.35Å
475A24.9Very low26.4Very low17 Ų17107.6 Ų107.614%0.1464%0.642CS.*  cis-157.6154.9300000108.9E530A475-E530 HydrophobicContact CB-CB 4.02Å; A475-E530 HydrophobicContact CB-CG 4.46Å; A475-E530 WeakPolarHBondContact O-CB 3.2Å
476V26.5Very low26.6Very low80 Ų80109.7 Ų109.749%0.48565%0.645SS.*  71.8149.574.9-157.60000109.3E530 D531V476-E530 CarbonylContact O-C 3.44Å; V476-D531 HydrophobicContact CB-CB 3.88Å; V476-D531 HydrophobicContact CG1-CB 3.85Å; V476-D531 PolarHBondContact O-N 3.29Å
477P33.8Very low26.6Very low63 Ų63109.1 Ų109.141%0.40965%0.653SS.*  -139.4-179.5-74.939.9-19.5000110D531P477-D531 VanDerWaalsContact CD-OD1 3.3Å; P477-D531 WeakPolarHBondContact CD-OD1 3.18Å
478S24.3Very low26.8Very low72 Ų72103.2 Ų103.250%0.50365%0.649SS.*  161.6112.7107.5-63.40000106.7
479Q28.7Very low26.9Very low151 Ų151104.8 Ų104.871%0.70666%0.656SS**  67.9134.596.6-68.2-178.31.400113.8
480A23.2Very low27.4Very low83 Ų83103.1 Ų103.169%0.68666%0.657SS**  cis-157.2145.522.200000111.1
481A26.3Very low27.8Very low83 Ų83103.5 Ų103.569%0.68666%0.664SS**  81.8115.5109.700000114.4
482S27.9Very low28.7Very low112 Ų112106 Ų10678%0.78367%0.667SS**  68.4141.959.391.40000110.9
483V30Very low29.1Very low121 Ų121110.4 Ų110.473%0.73369%0.685SS**  cis-160.2160.114.7165.70000106.4
484A28.2Very low30Very low94 Ų94113.7 Ų113.778%0.77770%0.695SS**  trans-117.1136149.900000110.4
485Q28.9Very low30.5Very low165 Ų165116.3 Ų116.377%0.77172%0.721SS**  trans-149.5128.2156.9-89.5-156.8-24.500113.3
486K28.2Very low31.6Very low184 Ų184122.7 Ų122.780%0.875%0.752SS**  trans49.8130.9142.5-64.9-179.9172.9-177.30118.8
487S25.3Very low32.6Very low122 Ų122126.1 Ų126.185%0.85377%0.768SS**  -172.8139.955.942.90000107.2
488G28.4Very low33.5Very low80 Ų80132 Ų13283%0.82579%0.79SS**  100.510180.700000112
489A26.3Very low34.5Very low101 Ų101137.2 Ų137.284%0.83581%0.811SS**  trans166140.8145.100000111.4
490D34Very low35.5Very low160 Ų160136 Ų13686%0.85681%0.814SS**  trans-38.8135.6179.5-58.8-42.9000117.2
491S31.6Very low36.7Very low120 Ų120138.3 Ų138.384%0.83982%0.822SS**  177.9134.5119.735.20000110.2
492E44.1Very low37.7Very low181 Ų181145.2 Ų145.285%0.84683%0.832SS**  trans-57.9138.7167.8-59.9178.1153.100109.9
493L35.2Very low39.1Very low171 Ų171145.8 Ų145.890%0.89583%0.826SS**  157.3141.9127.9-78165.7000112.1
494D45.3Very low40Very low166 Ų166147.1 Ų147.189%0.88883%0.826SS**  trans-49.7131.9176.2-116.9-20.7000114.9
495S38.6Very low41.2Very low117 Ų117147.3 Ų147.382%0.81882%0.822SS**  trans-177.2124.9137.564.20000113.1
496D48Very low42Very low150 Ų150143.8 Ų143.880%0.80282%0.821SS**  trans-60.8159.8163.4-114.6-25.9000113
497D49.1Very low43.1Very low153 Ų153141.3 Ų141.382%0.81882%0.817SS**  trans94.6135.6159.3-65.7-32.4000122.8
498E52.3Low44.3Very low187 Ų187144.7 Ų144.787%0.87482%0.819SS**  trans85.393.6171.7-72.5-171.2156.800120.1
499L44.5Very low45.3Very low181 Ų181149.3 Ų149.395%0.94882%0.819SS**  trans-82.3109.2166.1-67.5173.7000111.7
500T50.7Low46.1Very low125 Ų125150.6 Ų150.677%0.76781%0.809SS**PPolyproline II helixtrans-80.3137.2162.747.60000111.3
501P47.2Very low46.8Very low131 Ų131148.5 Ų148.585%0.85181%0.807SS**PPolyproline II helixtrans-62.9139.8177.8-2132.3000113.2
502Y47.1Very low48Very low229 Ų229150.9 Ų150.990%0.89881%0.805SS**PPolyproline II helixtrans-74144.2-178.8-129.3-95.4000112.5
503D57.3Low49.1Very low123 Ų123145 Ų14566%0.65879%0.787SS**PPolyproline II helixtrans-79.5121.2176.4-179.111.4000111.6S505D503-S505 VanDerWaalsContact CG-OG 3.25Å; D503-S505 VanDerWaalsContact OD1-CB 3.24Å; D503-S505 WeakPolarHBondContact OD1-CB 3.42Å; D503-S505 PolarHBondContact OD1-N 3.12Å; D503-S505 PolarHBondContact OD1-OG 3.12Å; D503-S505 VanDerWaalsContact OD1-OG 3.06Å; D503-S505 PolarHBondContact OD2-OG 3.06Å
504M49.5Very low51Low149 Ų149140.8 Ų140.873%0.73478%0.777SS**  trans-9716.4-178.8-61.6-170-6300113.6A506 D507M504-A506 PolarHBondContact O-N 3.29Å; M504-D507 PolarHBondContact O-N 3.47Å
505S54.4Low52.8Low99 Ų99136.6 Ų136.669%0.69276%0.759SS**THydrogen-bonded Turntrans-65.9-5.3-177.160.60000115.7D503D503-S505 VanDerWaalsContact CG-OG 3.25Å; D503-S505 VanDerWaalsContact OD1-CB 3.24Å; D503-S505 WeakPolarHBondContact OD1-CB 3.42Å; D503-S505 PolarHBondContact OD1-N 3.12Å; D503-S505 PolarHBondContact OD1-OG 3.12Å; D503-S505 VanDerWaalsContact OD1-OG 3.06Å; D503-S505 PolarHBondContact OD2-OG 3.06Å
506A44.7Very low55Low91 Ų91132.2 Ų132.275%0.75273%0.728SS**THydrogen-bonded Turntrans-110.31.4-176.900000115.5M504 Q508M504-A506 PolarHBondContact O-N 3.29Å; A506-Q508 PolarHBondContact O-N 3.09Å
507D51Low56.9Low131 Ų131134.2 Ų134.270%0.70172%0.724SS**  trans-77.4111.2176.8-76.7-18.3000110.9M504M504-D507 PolarHBondContact O-N 3.47Å
508Q50.8Low58.7Low193 Ų193134.5 Ų134.590%0.90272%0.715SS**  trans-81115169.4-103.7173.46.300109.9A506 M510A506-Q508 PolarHBondContact O-N 3.09Å; Q508-M510 PolarHBondContact O-N 3.49Å
509E49.3Very low60.4Low177 Ų177125.8 Ų125.883%0.82767%0.674SS**  trans-51.6126.9171.7-70.7-177.3166.100111S511E509-S511 PolarHBondContact O-N 3.24Å
510M43.9Very low62.5Low128 Ų128124 Ų12463%0.63166%0.655SS**  trans-57.3136.9174.5-70.6177.752.700110.4Q508 Q512Q508-M510 PolarHBondContact O-N 3.49Å; M510-Q512 PolarHBondContact O-N 3.22Å
511S48.4Very low64.3Low116 Ų116121.1 Ų121.181%0.81164%0.635SS**  trans-43.1121.1-176.760.60000113E509 A513E509-S511 PolarHBondContact O-N 3.24Å; S511-A513 PolarHBondContact O-N 3.15Å
512Q56.7Low66.3Low171 Ų171114.9 Ų114.980%0.79959%0.594SS**PPolyproline II helixtrans-52.5124.7173-67.9177-200110M510 A514M510-Q512 PolarHBondContact O-N 3.22Å; Q512-A514 PolarHBondContact O-N 3.48Å
513A66.2Low68.2Low56 Ų56105.1 Ų105.146%0.46356%0.557SS.*PPolyproline II helixtrans-54.4138.617300000109.6S511 L537S511-A513 PolarHBondContact O-N 3.15Å; A513-L537 HydrophobicContact CB-CD1 3.87Å; A513-L537 WeakPolarHBondContact O-CD1 3.48Å
514A76.2Confident69.7Low83 Ų83103.3 Ų103.369%0.68655%0.545SS*.PPolyproline II helixtrans-67.3140.9-17700000110.6Q512Q512-A514 PolarHBondContact O-N 3.48Å
515P82.4Confident71.6Confident79 Ų7996.3 Ų96.351%0.51351%0.511SS..PPolyproline II helixtrans-63.6147.5176.626.5-33.9000110.9A541P515-A541 HydrophobicContact CB-CB 4.33Å
516P85.8Confident73.2Confident24 Ų2492.8 Ų92.816%0.15648%0.483CS..PPolyproline II helixtrans-61.3149.1179.226-34000111.3D521 C522 A541P516-D521 HydrophobicContact CB-CB 4.06Å; P516-C522 VanDerWaalsContact CG-SG 3.55Å; P516-A541 HydrophobicContact CG-CB 3.97Å
517R87.3Confident75.2Confident193 Ų19393.6 Ų93.673%0.72847%0.474SS*.  trans-105.8-19.8-178.2-65.8-176.7-178.9-177.70.7113.1L545R517-L545 VanDerWaalsContact O-CD2 3.3Å; R517-L545 WeakPolarHBondContact O-CD2 3.36Å
518Y87.6Confident76.6Confident159 Ų15989.2 Ų89.262%0.62445%0.454SS*.SBendtrans-116.7148.4-178.3-56.4-76.8000111.9R520 D521 C522Y518-R520 VanDerWaalsContact C-N 3.29Å; Y518-R520 PolarHBondContact O-N 2.78Å; Y518-D521 WeakPolarHBondContact CD2-OD2 3.44Å; Y518-D521 PolarHBondContact N-OD2 3.2Å; Y518-D521 PolarHBondContact O-N 3.27Å; Y518-C522 PolarHBondContact O-N 3.37Å; Y518-C522 PolarHBondContact O-SG 3.28Å
519L88.4Confident77.8Confident4 Ų480.5 Ų80.52%0.02141%0.414CS..Hα-helixtrans-65.6-32.9177.6-69.7172.8000112.3C522 L523 I542 L545 V546 T552 A553 V556L519-C522 WeakPolarHBondContact O-CB 3.36Å; L519-C522 PolarHBondContact O-N 3.19Å; L519-L523 PolarHBondContact O-N 3.35Å; L519-I542 HydrophobicContact CD2-CD1 3.56Å; L519-L545 HydrophobicContact CD2-CB 3.56Å; L519-L545 HydrophobicContact CG-CB 4.25Å; L519-V546 HydrophobicContact CD2-CB 4.49Å; L519-V546 HydrophobicContact CD2-CG2 3.62Å; L519-T552 HydrophobicContact CD1-CG2 4.3Å; L519-A553 HydrophobicContact CD1-CB 3.77Å; L519-V556 HydrophobicContact CB-CG2 4.38Å; L519-V556 HydrophobicContact CD1-CG2 4.5Å
520R87.4Confident79.2Confident143 Ų14376.6 Ų76.654%0.5440%0.396SS..Hα-helixtrans-67.1-37.7177-69-174.1-178.7-93.4-1.7111.9Y518 C522 L523 E524Y518-R520 VanDerWaalsContact C-N 3.29Å; Y518-R520 PolarHBondContact O-N 2.78Å; R520-C522 VanDerWaalsContact C-N 3.27Å; R520-C522 PolarHBondContact O-N 2.95Å; R520-L523 PolarHBondContact O-N 3.32Å; R520-E524 WeakPolarHBondContact O-CB 3.49Å; R520-E524 PolarHBondContact O-N 3.09Å
521D88.2Confident81Confident64 Ų6471.1 Ų71.134%0.34237%0.369SS..Hα-helixtrans-61.9-38.3174.4-51.4-11.7000111.2P516 Y518 A525P516-D521 HydrophobicContact CB-CB 4.06Å; Y518-D521 WeakPolarHBondContact CD2-OD2 3.44Å; Y518-D521 PolarHBondContact N-OD2 3.2Å; Y518-D521 PolarHBondContact O-N 3.27Å; D521-A525 VanDerWaalsContact O-CB 3.24Å; D521-A525 WeakPolarHBondContact O-CB 2.97Å; D521-A525 PolarHBondContact O-N 3.08Å
522C89.3Confident82.7Confident0 Ų067.8 Ų67.80%035%0.345CS..Hα-helixtrans-67.3-42.3175.8-59.70000111.1P516 Y518 L519 R520 A525 F526 I542P516-C522 VanDerWaalsContact CG-SG 3.55Å; Y518-C522 PolarHBondContact O-N 3.37Å; Y518-C522 PolarHBondContact O-SG 3.28Å; L519-C522 WeakPolarHBondContact O-CB 3.36Å; L519-C522 PolarHBondContact O-N 3.19Å; R520-C522 VanDerWaalsContact C-N 3.27Å; R520-C522 PolarHBondContact O-N 2.95Å; C522-A525 WeakPolarHBondContact O-CB 3.39Å; C522-A525 PolarHBondContact O-N 2.89Å; C522-F526 HydrophobicContact CB-CE2 4.1Å; C522-F526 HydrophobicContact CB-CZ 4.22Å; C522-F526 WeakPolarHBondContact O-CD1 3.38Å; C522-F526 WeakPolarHBondContact O-CD2 3.33Å; C522-F526 WeakPolarHBondContact O-CG 3.39Å; C522-F526 PolarHBondContact O-N 3.2Å; C522-I542 HydrophobicContact CB-CD1 3.58Å
523L87.7Confident84.1Confident24 Ų2462.8 Ų62.813%0.12633%0.326CS..Hα-helixtrans-63.6-45178.1-165.1156.6000111.2L519 R520 A525 F526 L527 V556 E559 L560L519-L523 PolarHBondContact O-N 3.35Å; R520-L523 PolarHBondContact O-N 3.32Å; L523-A525 VanDerWaalsContact C-N 3.34Å; L523-F526 PolarHBondContact O-N 3.07Å; L523-L527 HydrophobicContact CD2-CD1 3.45Å; L523-L527 VanDerWaalsContact CD2-CD1 3.45Å; L523-L527 HydrophobicContact CD2-CG 4.17Å; L523-L527 WeakPolarHBondContact O-CG 3.47Å; L523-L527 PolarHBondContact O-N 2.64Å; L523-V556 HydrophobicContact CD1-CB 4.35Å; L523-E559 HydrophobicContact CD1-CB 4.22Å; L523-L560 HydrophobicContact CB-CD1 4.05Å; L523-L560 HydrophobicContact CD1-CB 4.39Å; L523-L560 HydrophobicContact CD1-CD1 4.2Å; L523-L560 HydrophobicContact CG-CD1 4.1Å
524E88.3Confident85.1Confident86 Ų8665.1 Ų65.140%0.40232%0.323SS..Hα-helixtrans-61.2-42.9173.2-174.9176-170.600111.1Q474 R520 F526 L527 S528Q474-E524 VanDerWaalsContact NE2-CD 3.29Å; Q474-E524 PolarHBondContact NE2-OE1 3.03Å; R520-E524 WeakPolarHBondContact O-CB 3.49Å; R520-E524 PolarHBondContact O-N 3.09Å; E524-F526 VanDerWaalsContact C-N 3.33Å; E524-F526 PolarHBondContact O-N 3.04Å; E524-L527 PolarHBondContact O-N 2.99Å; E524-S528 PolarHBondContact O-N 2.99Å
525A88.8Confident85.7Confident2 Ų261.4 Ų61.42%0.01729%0.291CS..Hα-helixtrans-60.5-41175.300000112.3D521 C522 L523 S529 R534 S538D521-A525 VanDerWaalsContact O-CB 3.24Å; D521-A525 WeakPolarHBondContact O-CB 2.97Å; D521-A525 PolarHBondContact O-N 3.08Å; C522-A525 WeakPolarHBondContact O-CB 3.39Å; C522-A525 PolarHBondContact O-N 2.89Å; L523-A525 VanDerWaalsContact C-N 3.34Å; A525-S529 WeakPolarHBondContact O-CB 3.32Å; A525-S529 PolarHBondContact O-N 3.48Å; A525-R534 HydrophobicContact CB-CG 4.04Å; A525-S538 WeakPolarHBondContact CB-OG 3.38Å
526F89.8Confident86Confident24 Ų2458.8 Ų58.811%0.10527%0.273CS..Hα-helixtrans-72.7-28.9179.4-58.3-28.5000113.7C522 L523 E524 L539 I542 L560 V563 L564 M567C522-F526 HydrophobicContact CB-CE2 4.1Å; C522-F526 HydrophobicContact CB-CZ 4.22Å; C522-F526 WeakPolarHBondContact O-CD1 3.38Å; C522-F526 WeakPolarHBondContact O-CD2 3.33Å; C522-F526 WeakPolarHBondContact O-CG 3.39Å; C522-F526 PolarHBondContact O-N 3.2Å; L523-F526 PolarHBondContact O-N 3.07Å; E524-F526 VanDerWaalsContact C-N 3.33Å; E524-F526 PolarHBondContact O-N 3.04Å; F526-L539 HydrophobicContact CE1-CD2 3.8Å; F526-L539 HydrophobicContact CE1-CG 3.77Å; F526-L539 HydrophobicContact CZ-CD2 3.88Å; F526-L539 HydrophobicContact CZ-CG 4.23Å; F526-I542 HydrophobicContact CE2-CD1 4.38Å; F526-I542 HydrophobicContact CE2-CG1 4.31Å; F526-I542 HydrophobicContact CZ-CB 4.3Å; F526-I542 HydrophobicContact CZ-CG2 4.36Å; F526-L560 HydrophobicContact CD2-CD1 3.93Å; F526-L560 HydrophobicContact CE2-CD1 4.06Å; F526-V563 HydrophobicContact CB-CG1 3.52Å; F526-V563 HydrophobicContact CD2-CG1 4.39Å; F526-V563 HydrophobicContact CG-CG1 4.4Å; F526-L564 HydrophobicContact CD2-CD2 4.28Å; F526-L564 HydrophobicContact CE2-CD2 3.99Å; F526-M567 HydrophobicContact CB-CE 4.09Å; F526-M567 HydrophobicContact CD1-CE 3.43Å; F526-M567 VanDerWaalsContact CD1-CE 3.43Å; F526-M567 HydrophobicContact CD1-SD 4.15Å; F526-M567 HydrophobicContact CE1-CE 4.12Å; F526-M567 HydrophobicContact CG-CE 3.95Å; F526-M567 HydrophobicContact CG-SD 4.3Å
527L85.5Confident86.2Confident109 Ų10959.1 Ų59.157%0.57127%0.273SS*.Hα-helixtrans-88.3-38.5-178.2-74.6-178.5000113.9L523 E524 V563L523-L527 HydrophobicContact CD2-CD1 3.45Å; L523-L527 VanDerWaalsContact CD2-CD1 3.45Å; L523-L527 HydrophobicContact CD2-CG 4.17Å; L523-L527 WeakPolarHBondContact O-CG 3.47Å; L523-L527 PolarHBondContact O-N 2.64Å; E524-L527 PolarHBondContact O-N 2.99Å; L527-V563 HydrophobicContact CD1-CG2 4.42Å; L527-V563 HydrophobicContact CD2-CG1 4.15Å; L527-V563 HydrophobicContact CD2-CG2 3.57Å; L527-V563 HydrophobicContact CG-CG1 4.47Å; L527-V563 HydrophobicContact CG-CG2 4Å
528S80.3Confident86.4Confident39 Ų3950 Ų5027%0.27324%0.239SC..Hα-helixtrans-129.4-13.4-163.6-59.40000113.6Q474 E524 E530Q474-S528 CarbonylContact C-O 3.58Å; Q474-S528 WeakPolarHBondContact CB-O 3.35Å; E524-S528 PolarHBondContact O-N 2.99Å; S528-E530 PolarHBondContact O-N 2.95Å
529S77.4Confident86.6Confident9 Ų942.4 Ų42.46%0.06321%0.21CC..  trans-82.8118.3-177.6-173.90000112.6A525 D531A525-S529 WeakPolarHBondContact O-CB 3.32Å; A525-S529 PolarHBondContact O-N 3.48Å; S529-D531 VanDerWaalsContact C-N 3.29Å; S529-D531 WeakPolarHBondContact OG-CB 3.33Å; S529-D531 PolarHBondContact OG-N 3.43Å
530E77Confident86.8Confident96 Ų9649 Ų4945%0.44923%0.234SC..  trans-81.5-6.1167.7-51.5-172.1154.900113.4A475 V476 S528 P532 Y571A475-E530 HydrophobicContact CB-CB 4.02Å; A475-E530 HydrophobicContact CB-CG 4.46Å; A475-E530 WeakPolarHBondContact O-CB 3.2Å; V476-E530 CarbonylContact O-C 3.44Å; S528-E530 PolarHBondContact O-N 2.95Å; E530-P532 WeakPolarHBondContact O-CD 3.38Å; E530-Y571 VanDerWaalsContact CA-OH 3.28Å; E530-Y571 WeakPolarHBondContact CA-OH 3.36Å; E530-Y571 PolarHBondContact O-OH 3.09Å; E530-Y571 VanDerWaalsContact O-OH 3.09Å
531D81.8Confident87Confident13 Ų1343 Ų437%0.0722%0.215CC..  trans-74.6113178.6-177.2-5.6000112.3V476 P477 S529 V533 R534 V535V476-D531 HydrophobicContact CB-CB 3.88Å; V476-D531 HydrophobicContact CG1-CB 3.85Å; V476-D531 PolarHBondContact O-N 3.29Å; P477-D531 VanDerWaalsContact CD-OD1 3.3Å; P477-D531 WeakPolarHBondContact CD-OD1 3.18Å; S529-D531 VanDerWaalsContact C-N 3.29Å; S529-D531 WeakPolarHBondContact OG-CB 3.33Å; S529-D531 PolarHBondContact OG-N 3.43Å; D531-V533 VanDerWaalsContact C-N 3.31Å; D531-V533 PolarHBondContact O-N 2.62Å; D531-V533 WeakPolarHBondContact OD1-CB 3.37Å; D531-V533 PolarHBondContact OD1-N 2.99Å; D531-R534 HydrophobicContact CB-CB 3.79Å; D531-R534 PolarHBondContact O-N 3.34Å; D531-R534 PolarHBondContact OD1-N 3.45Å; D531-R534 WeakPolarHBondContact OD2-CB 3.4Å; D531-V535 WeakPolarHBondContact O-CG2 3.46Å; D531-V535 PolarHBondContact O-N 3.12Å; D531-V535 VanDerWaalsContact O-N 3.09Å
532P83.9Confident87.3Confident46 Ų4640 Ų4030%0.29920%0.199SC..Hα-helixtrans-63.3-36.218025.3-33.3000112.5E530 V535 D536 Y571E530-P532 WeakPolarHBondContact O-CD 3.38Å; P532-V535 PolarHBondContact O-N 3.02Å; P532-D536 WeakPolarHBondContact O-CB 3.42Å; P532-D536 PolarHBondContact O-N 3.29Å; P532-Y571 HydrophobicContact CB-CD1 3.67Å; P532-Y571 HydrophobicContact CB-CE1 4.22Å; P532-Y571 HydrophobicContact CB-CG 3.82Å
533V86.6Confident87.5Confident66 Ų6643.3 Ų43.340%0.422%0.215SC..Hα-helixtrans-69.9-41.3-177.9-178.60000109.9D531 L537D531-V533 VanDerWaalsContact C-N 3.31Å; D531-V533 PolarHBondContact O-N 2.62Å; D531-V533 WeakPolarHBondContact OD1-CB 3.37Å; D531-V533 PolarHBondContact OD1-N 2.99Å; V533-L537 HydrophobicContact CG1-CD1 3.95Å; V533-L537 HydrophobicContact CG1-CG 4.38Å; V533-L537 WeakPolarHBondContact O-CB 3.46Å; V533-L537 WeakPolarHBondContact O-CG 3.48Å; V533-L537 PolarHBondContact O-N 2.71Å
534R87.4Confident87.6Confident104 Ų10443.6 Ų43.639%0.39222%0.224SC..Hα-helixtrans-66.6-40176.5-175.9178.3-77.4147.3-4.9112.1A525 D531 S538A525-R534 HydrophobicContact CB-CG 4.04Å; D531-R534 HydrophobicContact CB-CB 3.79Å; D531-R534 PolarHBondContact O-N 3.34Å; D531-R534 PolarHBondContact OD1-N 3.45Å; D531-R534 WeakPolarHBondContact OD2-CB 3.4Å; R534-S538 VanDerWaalsContact O-CB 3.24Å; R534-S538 WeakPolarHBondContact O-CB 3.34Å; R534-S538 PolarHBondContact O-N 3.07Å; R534-S538 PolarHBondContact O-OG 3.35Å
535V88.5Confident87.8Confident5 Ų540.4 Ų40.43%0.0321%0.209CC..Hα-helixtrans-65.7-45.6177.71740000110.8D531 P532 S538 L539 M567 Y571D531-V535 WeakPolarHBondContact O-CG2 3.46Å; D531-V535 PolarHBondContact O-N 3.12Å; D531-V535 VanDerWaalsContact O-N 3.09Å; P532-V535 PolarHBondContact O-N 3.02Å; V535-S538 PolarHBondContact O-N 2.84Å; V535-L539 HydrophobicContact CG1-CD1 4.13Å; V535-L539 WeakPolarHBondContact O-CB 3.29Å; V535-L539 WeakPolarHBondContact O-CG 3.16Å; V535-L539 PolarHBondContact O-N 2.75Å; V535-M567 HydrophobicContact CG1-CE 3.62Å; V535-Y571 HydrophobicContact CB-CD2 4.38Å; V535-Y571 HydrophobicContact CB-CE2 4.37Å; V535-Y571 HydrophobicContact CG1-CD2 4.31Å; V535-Y571 HydrophobicContact CG1-CE2 4.47Å; V535-Y571 HydrophobicContact CG2-CE2 4.11Å
536D89.4Confident88Confident25 Ų2540.3 Ų40.313%0.13421%0.209CC..Hα-helixtrans-60.7-48175172.771.9000111.9P532 S538 L539 R540 T573P532-D536 WeakPolarHBondContact O-CB 3.42Å; P532-D536 PolarHBondContact O-N 3.29Å; D536-S538 VanDerWaalsContact C-N 3.27Å; D536-S538 PolarHBondContact O-N 3.5Å; D536-L539 PolarHBondContact O-N 3.28Å; D536-R540 VanDerWaalsContact CG-NE 3.29Å; D536-R540 VanDerWaalsContact CG-NH2 3.29Å; D536-R540 WeakPolarHBondContact O-CG 3.07Å; D536-R540 PolarHBondContact O-N 3.46Å; D536-R540 IonicContact OD1-CZ 3.83Å; D536-R540 VanDerWaalsContact OD1-CZ 3.24Å; D536-R540 IonicContact OD1-NE 3.73Å; D536-R540 PolarHBondContact OD1-NE 3.26Å; D536-R540 IonicContact OD1-NH2 3.74Å; D536-R540 PolarHBondContact OD1-NH2 3.3Å; D536-R540 IonicContact OD2-CZ 3.69Å; D536-R540 IonicContact OD2-NE 3.43Å; D536-R540 PolarHBondContact OD2-NE 3.41Å; D536-R540 IonicContact OD2-NH1 3.3Å; D536-R540 IonicContact OD2-NH2 2.83Å; D536-R540 PolarHBondContact OD2-NH2 3.09Å; D536-T573 HydrophobicContact CB-CG2 4Å; D536-T573 WeakPolarHBondContact OD1-CG2 3.36Å
537L90.1Very high88Confident30 Ų3043.7 Ų43.716%0.15722%0.221CC..Hα-helixtrans-61.4-36.5176.8-72.7173.8000112.3A513 V533 R540 A541A513-L537 HydrophobicContact CB-CD1 3.87Å; A513-L537 WeakPolarHBondContact O-CD1 3.48Å; V533-L537 HydrophobicContact CG1-CD1 3.95Å; V533-L537 HydrophobicContact CG1-CG 4.38Å; V533-L537 WeakPolarHBondContact O-CB 3.46Å; V533-L537 WeakPolarHBondContact O-CG 3.48Å; V533-L537 PolarHBondContact O-N 2.71Å; L537-R540 PolarHBondContact O-N 2.93Å; L537-A541 VanDerWaalsContact O-CB 3.23Å; L537-A541 WeakPolarHBondContact O-CB 3.5Å; L537-A541 PolarHBondContact O-N 3.47Å
538S92Very high88.2Confident1 Ų146.5 Ų46.51%0.00723%0.228CC..Hα-helixtrans-69.2-42.9176.7-58.10000111.7A525 R534 V535 D536 R540 A541 I542A525-S538 WeakPolarHBondContact CB-OG 3.38Å; R534-S538 VanDerWaalsContact O-CB 3.24Å; R534-S538 WeakPolarHBondContact O-CB 3.34Å; R534-S538 PolarHBondContact O-N 3.07Å; R534-S538 PolarHBondContact O-OG 3.35Å; V535-S538 PolarHBondContact O-N 2.84Å; D536-S538 VanDerWaalsContact C-N 3.27Å; D536-S538 PolarHBondContact O-N 3.5Å; S538-R540 VanDerWaalsContact C-N 3.31Å; S538-R540 PolarHBondContact O-N 2.8Å; S538-A541 PolarHBondContact O-N 3.46Å; S538-I542 VanDerWaalsContact O-CB 3.3Å; S538-I542 WeakPolarHBondContact O-CB 3.28Å; S538-I542 PolarHBondContact O-N 3.46Å
539L91.8Very high88.6Confident1 Ų147.8 Ų47.81%0.00523%0.232CC..Hα-helixtrans-63.8-34.4174.7-77172.5000112.7F526 V535 D536 I542 L564 M567 T573 F576 L579F526-L539 HydrophobicContact CE1-CD2 3.8Å; F526-L539 HydrophobicContact CE1-CG 3.77Å; F526-L539 HydrophobicContact CZ-CD2 3.88Å; F526-L539 HydrophobicContact CZ-CG 4.23Å; V535-L539 HydrophobicContact CG1-CD1 4.13Å; V535-L539 WeakPolarHBondContact O-CB 3.29Å; V535-L539 WeakPolarHBondContact O-CG 3.16Å; V535-L539 PolarHBondContact O-N 2.75Å; D536-L539 PolarHBondContact O-N 3.28Å; L539-I542 WeakPolarHBondContact O-CG2 3.16Å; L539-L564 HydrophobicContact CD2-CD2 4.41Å; L539-M567 HydrophobicContact CD1-CE 4.39Å; L539-M567 HydrophobicContact CD2-CE 4.43Å; L539-M567 HydrophobicContact CD2-SD 3.96Å; L539-T573 HydrophobicContact CD1-CG2 4.36Å; L539-F576 HydrophobicContact CD1-CD2 3.63Å; L539-F576 HydrophobicContact CD1-CE2 3.78Å; L539-L579 HydrophobicContact CB-CB 4.39Å; L539-L579 HydrophobicContact CB-CD1 4.28Å
540R91.6Very high89.1Confident142 Ų14250.8 Ų50.854%0.53625%0.25SC..Hα-helixtrans-74.8-32.2175-68.4177-167.7-169.18.7112.7D536 L537 S538 L579D536-R540 VanDerWaalsContact CG-NE 3.29Å; D536-R540 VanDerWaalsContact CG-NH2 3.29Å; D536-R540 WeakPolarHBondContact O-CG 3.07Å; D536-R540 PolarHBondContact O-N 3.46Å; D536-R540 IonicContact OD1-CZ 3.83Å; D536-R540 VanDerWaalsContact OD1-CZ 3.24Å; D536-R540 IonicContact OD1-NE 3.73Å; D536-R540 PolarHBondContact OD1-NE 3.26Å; D536-R540 IonicContact OD1-NH2 3.74Å; D536-R540 PolarHBondContact OD1-NH2 3.3Å; D536-R540 IonicContact OD2-CZ 3.69Å; D536-R540 IonicContact OD2-NE 3.43Å; D536-R540 PolarHBondContact OD2-NE 3.41Å; D536-R540 IonicContact OD2-NH1 3.3Å; D536-R540 IonicContact OD2-NH2 2.83Å; D536-R540 PolarHBondContact OD2-NH2 3.09Å; L537-R540 PolarHBondContact O-N 2.93Å; S538-R540 VanDerWaalsContact C-N 3.31Å; S538-R540 PolarHBondContact O-N 2.8Å; R540-L579 HydrophobicContact CG-CD1 3.97Å; R540-L579 HydrophobicContact CG-CD2 4.49Å
541A92.3Very high89.5Confident18 Ų1850 Ų5015%0.14926%0.255CS..Hα-helixtrans-85.8-30.9-177.200000113.7P515 P516 L537 S538 E543 G544 L545P515-A541 HydrophobicContact CB-CB 4.33Å; P516-A541 HydrophobicContact CG-CB 3.97Å; L537-A541 VanDerWaalsContact O-CB 3.23Å; L537-A541 WeakPolarHBondContact O-CB 3.5Å; L537-A541 PolarHBondContact O-N 3.47Å; S538-A541 PolarHBondContact O-N 3.46Å; A541-E543 PolarHBondContact O-N 3.49Å; A541-G544 PolarHBondContact O-N 3.04Å; A541-G544 VanDerWaalsContact O-N 3.12Å; A541-L545 HydrophobicContact CB-CD1 4.25Å; A541-L545 WeakPolarHBondContact O-CG 3.48Å; A541-L545 PolarHBondContact O-N 3.25Å
542I93.9Very high89.7Confident0 Ų051.8 Ų51.80%027%0.266CS..Hα-helixtrans-57.7-43.8-166.4-17371.2000113.4L519 C522 F526 S538 L539 G544 L545 V546 L560 A583L519-I542 HydrophobicContact CD2-CD1 3.56Å; C522-I542 HydrophobicContact CB-CD1 3.58Å; F526-I542 HydrophobicContact CE2-CD1 4.38Å; F526-I542 HydrophobicContact CE2-CG1 4.31Å; F526-I542 HydrophobicContact CZ-CB 4.3Å; F526-I542 HydrophobicContact CZ-CG2 4.36Å; S538-I542 VanDerWaalsContact O-CB 3.3Å; S538-I542 WeakPolarHBondContact O-CB 3.28Å; S538-I542 PolarHBondContact O-N 3.46Å; L539-I542 WeakPolarHBondContact O-CG2 3.16Å; I542-G544 VanDerWaalsContact C-N 3.32Å; I542-G544 PolarHBondContact O-N 2.89Å; I542-L545 PolarHBondContact O-N 2.93Å; I542-V546 HydrophobicContact CD1-CG2 4.31Å; I542-V546 HydrophobicContact CG1-CG2 4.24Å; I542-V546 WeakPolarHBondContact O-CG2 3.23Å; I542-V546 PolarHBondContact O-N 3.31Å; I542-L560 HydrophobicContact CD1-CD1 4.48Å; I542-L560 HydrophobicContact CD1-CD2 3.6Å; I542-L560 HydrophobicContact CG1-CD2 4.1Å; I542-A583 HydrophobicContact CG1-CB 4.42Å; I542-A583 HydrophobicContact CG2-CB 3.49Å; I542-A583 VanDerWaalsContact CG2-CB 3.49Å
543E93.5Very high89.9Confident69 Ų6949.6 Ų49.632%0.32225%0.253SS..Hα-helixtrans-58.8-47179.9-168.1-155.615400110.8A541 L545 V546 R547 A582 A586A541-E543 PolarHBondContact O-N 3.49Å; E543-L545 VanDerWaalsContact C-N 3.34Å; E543-L545 PolarHBondContact O-N 3.42Å; E543-V546 PolarHBondContact O-N 2.92Å; E543-R547 WeakPolarHBondContact O-CG 3.33Å; E543-R547 PolarHBondContact O-N 3.32Å; E543-R547 VanDerWaalsContact O-N 3.15Å; E543-R547 IonicContact OE1-CZ 3.73Å; E543-R547 IonicContact OE1-NE 3.72Å; E543-R547 PolarHBondContact OE1-NE 2.91Å; E543-R547 IonicContact OE1-NH2 2.64Å; E543-R547 PolarHBondContact OE1-NH2 3.33Å; E543-A582 HydrophobicContact CG-CB 4.42Å; E543-A586 HydrophobicContact CG-CB 3.89Å
544G90.4Very high90.1Very high31 Ų3153.7 Ų53.732%0.3226%0.261SS..Hα-helixtrans-65.3-36.4178.700000112.8A541 I542 K548A541-G544 PolarHBondContact O-N 3.04Å; A541-G544 VanDerWaalsContact O-N 3.12Å; I542-G544 VanDerWaalsContact C-N 3.32Å; I542-G544 PolarHBondContact O-N 2.89Å; G544-K548 WeakPolarHBondContact O-CB 3.43Å; G544-K548 WeakPolarHBondContact O-CD 3.45Å; G544-K548 WeakPolarHBondContact O-CG 3.29Å; G544-K548 PolarHBondContact O-N 3.45Å; G544-K548 VanDerWaalsContact O-N 3.09Å
545L91.4Very high90.2Very high19 Ų1955.1 Ų55.110%0.09927%0.272CS..Hα-helixtrans-69.8-41177.8-68.6177.1000112.2R517 L519 A541 I542 E543 K548 N549R517-L545 VanDerWaalsContact O-CD2 3.3Å; R517-L545 WeakPolarHBondContact O-CD2 3.36Å; L519-L545 HydrophobicContact CD2-CB 3.56Å; L519-L545 HydrophobicContact CG-CB 4.25Å; A541-L545 HydrophobicContact CB-CD1 4.25Å; A541-L545 WeakPolarHBondContact O-CG 3.48Å; A541-L545 PolarHBondContact O-N 3.25Å; I542-L545 PolarHBondContact O-N 2.93Å; E543-L545 VanDerWaalsContact C-N 3.34Å; E543-L545 PolarHBondContact O-N 3.42Å; L545-K548 PolarHBondContact O-N 3.42Å; L545-N549 WeakPolarHBondContact O-CB 3.29Å; L545-N549 PolarHBondContact O-N 3.42Å
546V92.9Very high90.3Very high0 Ų055 Ų550%027%0.271CS..Hα-helixtrans-61.7-46.3177.4169.10000110.2L519 I542 E543 K548 A553 A586 L587L519-V546 HydrophobicContact CD2-CB 4.49Å; L519-V546 HydrophobicContact CD2-CG2 3.62Å; I542-V546 HydrophobicContact CD1-CG2 4.31Å; I542-V546 HydrophobicContact CG1-CG2 4.24Å; I542-V546 WeakPolarHBondContact O-CG2 3.23Å; I542-V546 PolarHBondContact O-N 3.31Å; E543-V546 PolarHBondContact O-N 2.92Å; V546-K548 PolarHBondContact O-N 2.9Å; V546-A553 HydrophobicContact CG1-CB 4.09Å; V546-A586 HydrophobicContact CB-CB 4.39Å; V546-A586 HydrophobicContact CG1-CB 4.03Å; V546-L587 HydrophobicContact CB-CD2 4.43Å; V546-L587 HydrophobicContact CG1-CD2 3.85Å; V546-L587 HydrophobicContact CG1-CG 4.31Å; V546-L587 HydrophobicContact CG2-CD2 3.61Å; V546-L587 HydrophobicContact CG2-CG 4.14Å
547R91.3Very high90.4Very high95 Ų9554 Ų5436%0.35827%0.266SS..Hα-helixtrans-68.5-32-179.4-66.9180-177.1-73.22.3113.1E543 A586 E626E543-R547 WeakPolarHBondContact O-CG 3.33Å; E543-R547 PolarHBondContact O-N 3.32Å; E543-R547 VanDerWaalsContact O-N 3.15Å; E543-R547 IonicContact OE1-CZ 3.73Å; E543-R547 IonicContact OE1-NE 3.72Å; E543-R547 PolarHBondContact OE1-NE 2.91Å; E543-R547 IonicContact OE1-NH2 2.64Å; E543-R547 PolarHBondContact OE1-NH2 3.33Å; R547-A586 HydrophobicContact CG-CB 4.28Å; R547-E626 IonicContact CZ-OE1 3.71Å; R547-E626 IonicContact CZ-OE2 2.95Å; R547-E626 IonicContact NH1-OE1 3.46Å; R547-E626 PolarHBondContact NH1-OE1 3.11Å; R547-E626 IonicContact NH1-OE2 3.01Å; R547-E626 IonicContact NH2-OE1 2.7Å; R547-E626 PolarHBondContact NH2-OE1 3.19Å; R547-E626 IonicContact NH2-OE2 2.87Å; R547-E626 PolarHBondContact NH2-OE2 2.6Å
548K89.5Confident90.6Very high168 Ų16854.4 Ų54.473%0.7327%0.27SS*.Hα-helixtrans-78.7-35.3178.5-74.7173.5-175.5178.90113.1G544 L545 V546G544-K548 WeakPolarHBondContact O-CB 3.43Å; G544-K548 WeakPolarHBondContact O-CD 3.45Å; G544-K548 WeakPolarHBondContact O-CG 3.29Å; G544-K548 PolarHBondContact O-N 3.45Å; G544-K548 VanDerWaalsContact O-N 3.09Å; L545-K548 PolarHBondContact O-N 3.42Å; V546-K548 PolarHBondContact O-N 2.9Å
549N87.9Confident90.7Very high65 Ų6559.6 Ų59.635%0.34829%0.294SS..  trans-118.166.1-171.9-61.8-38.4000111.3L545 S551 T552 A553L545-N549 WeakPolarHBondContact O-CB 3.29Å; L545-N549 PolarHBondContact O-N 3.42Å; N549-S551 VanDerWaalsContact C-N 3.34Å; N549-S551 PolarHBondContact O-N 3.36Å; N549-T552 PolarHBondContact O-N 3.38Å; N549-A553 VanDerWaalsContact O-CB 3.29Å; N549-A553 WeakPolarHBondContact O-CB 3.36Å; N549-A553 PolarHBondContact O-N 2.94Å
550T88.1Confident90.7Very high72 Ų7259.5 Ų59.544%0.44229%0.294SS..Hα-helixtrans-62.7-33.9-172.454.40000114.2R554 T590T550-R554 WeakPolarHBondContact O-CG 3.35Å; T550-R554 PolarHBondContact O-N 3.23Å; T550-T590 HydrophobicContact CG2-CG2 4.04Å
551S85.7Confident90.9Very high80 Ų8052.8 Ų52.856%0.55927%0.268SS*.Hα-helixtrans-67.4-51.6177.252.30000111.9N549 A553 R554N549-S551 VanDerWaalsContact C-N 3.34Å; N549-S551 PolarHBondContact O-N 3.36Å; S551-A553 VanDerWaalsContact C-N 3.29Å; S551-A553 PolarHBondContact O-N 2.95Å; S551-R554 PolarHBondContact O-N 3.47Å
552T86.1Confident91Very high50 Ų5056.5 Ų56.531%0.30728%0.281SS..Hα-helixtrans-64.4-36177.3-47.80000111.5L519 N549 R554 E555L519-T552 HydrophobicContact CD1-CG2 4.3Å; N549-T552 PolarHBondContact O-N 3.38Å; T552-R554 VanDerWaalsContact C-N 3.28Å; T552-R554 PolarHBondContact O-N 3.48Å; T552-E555 PolarHBondContact O-N 3.46Å
553A87.7Confident91Very high1 Ų157.7 Ų57.71%0.00829%0.288CS..Hα-helixtrans-61-35.7176.300000112.7L519 V546 N549 S551 E555 V556 S557 T590L519-A553 HydrophobicContact CD1-CB 3.77Å; V546-A553 HydrophobicContact CG1-CB 4.09Å; N549-A553 VanDerWaalsContact O-CB 3.29Å; N549-A553 WeakPolarHBondContact O-CB 3.36Å; N549-A553 PolarHBondContact O-N 2.94Å; S551-A553 VanDerWaalsContact C-N 3.29Å; S551-A553 PolarHBondContact O-N 2.95Å; A553-E555 VanDerWaalsContact C-N 3.33Å; A553-E555 PolarHBondContact O-N 3.42Å; A553-V556 PolarHBondContact O-N 3.28Å; A553-S557 VanDerWaalsContact O-CA 3.29Å; A553-S557 WeakPolarHBondContact O-CA 3.44Å; A553-S557 VanDerWaalsContact O-CB 3.25Å; A553-S557 WeakPolarHBondContact O-CB 3.37Å; A553-S557 PolarHBondContact O-N 3.07Å; A553-T590 HydrophobicContact CB-CG2 3.96Å
554R90.4Very high91Very high151 Ų15154.4 Ų54.457%0.5727%0.273SS*.Hα-helixtrans-67.2-30.7176.1-73.3173.5179.2-178.50.4113.4T550 S551 T552 V556 S557 T590 D591T550-R554 WeakPolarHBondContact O-CG 3.35Å; T550-R554 PolarHBondContact O-N 3.23Å; S551-R554 PolarHBondContact O-N 3.47Å; T552-R554 VanDerWaalsContact C-N 3.28Å; T552-R554 PolarHBondContact O-N 3.48Å; R554-V556 VanDerWaalsContact C-N 3.31Å; R554-V556 PolarHBondContact O-N 3.11Å; R554-S557 PolarHBondContact O-OG 3.34Å; R554-T590 PolarHBondContact NE-O 3.14Å; R554-D591 HydrophobicContact CG-CB 3.97Å
555E89.5Confident91.1Very high135 Ų13553 Ų5363%0.63126%0.258SS*.Hα-helixtrans-69.3-30.7178.9-65.5176.9-17300112.8T552 A553T552-E555 PolarHBondContact O-N 3.46Å; A553-E555 VanDerWaalsContact C-N 3.33Å; A553-E555 PolarHBondContact O-N 3.42Å
556V91.3Very high91.1Very high2 Ų256.4 Ų56.41%0.01227%0.273CS..SBendtrans-116.39.5-175.4-60.80000113.1L519 L523 A553 R554 V558 E559 L560L519-V556 HydrophobicContact CB-CG2 4.38Å; L519-V556 HydrophobicContact CD1-CG2 4.5Å; L523-V556 HydrophobicContact CD1-CB 4.35Å; A553-V556 PolarHBondContact O-N 3.28Å; R554-V556 VanDerWaalsContact C-N 3.31Å; R554-V556 PolarHBondContact O-N 3.11Å; V556-V558 PolarHBondContact O-N 3.17Å; V556-E559 PolarHBondContact O-N 3.05Å; V556-L560 VanDerWaalsContact O-CB 3.24Å; V556-L560 WeakPolarHBondContact O-CB 3.17Å; V556-L560 PolarHBondContact O-N 3.4Å
557S92Very high91Very high4 Ų457.4 Ų57.43%0.02828%0.278CS..Hα-helixtrans-59.1-48.3-169.758.80000112.5A553 R554 S561 D591A553-S557 VanDerWaalsContact O-CA 3.29Å; A553-S557 WeakPolarHBondContact O-CA 3.44Å; A553-S557 VanDerWaalsContact O-CB 3.25Å; A553-S557 WeakPolarHBondContact O-CB 3.37Å; A553-S557 PolarHBondContact O-N 3.07Å; R554-S557 PolarHBondContact O-OG 3.34Å; S557-S561 VanDerWaalsContact O-CB 3.3Å; S557-S561 WeakPolarHBondContact O-CB 3.45Å; S557-S561 PolarHBondContact O-N 3.17Å; S557-S561 PolarHBondContact O-OG 3.27Å; S557-D591 WeakPolarHBondContact CB-OD2 3.42Å; S557-D591 PolarHBondContact OG-OD2 3.3Å
558V94Very high90.8Very high39 Ų3959.5 Ų59.524%0.23629%0.292CS..Hα-helixtrans-70.5-43.3-179.3178.20000111.2V556 S561 K562 P594 Y598V556-V558 PolarHBondContact O-N 3.17Å; V558-S561 PolarHBondContact O-N 2.9Å; V558-K562 HydrophobicContact CG1-CD 4.34Å; V558-K562 VanDerWaalsContact O-CG 3.32Å; V558-K562 WeakPolarHBondContact O-CG 3.5Å; V558-K562 PolarHBondContact O-N 3.34Å; V558-P594 HydrophobicContact CG2-CB 3.89Å; V558-Y598 HydrophobicContact CG1-CD2 4.49Å; V558-Y598 HydrophobicContact CG1-CG 4.33Å
559E92.6Very high90.6Very high109 Ų10954.3 Ų54.351%0.50927%0.272SS..Hα-helixtrans-62.3-46.4177.9-66.8-175.9169.600111.3L523 V556 S561 K562 V563L523-E559 HydrophobicContact CD1-CB 4.22Å; V556-E559 PolarHBondContact O-N 3.05Å; E559-S561 VanDerWaalsContact C-N 3.34Å; E559-S561 PolarHBondContact O-N 3.12Å; E559-K562 WeakPolarHBondContact O-CB 3.35Å; E559-K562 PolarHBondContact O-N 2.9Å; E559-V563 WeakPolarHBondContact O-CG2 3.33Å; E559-V563 PolarHBondContact O-N 3.38Å; E559-V563 VanDerWaalsContact O-N 3.09Å
560L93.6Very high90.4Very high0 Ų060.6 Ų60.60%029%0.291CS..Hα-helixtrans-68.3-35179.4-166.363000111.9L523 F526 I542 V556 V563 L564 L587L523-L560 HydrophobicContact CB-CD1 4.05Å; L523-L560 HydrophobicContact CD1-CB 4.39Å; L523-L560 HydrophobicContact CD1-CD1 4.2Å; L523-L560 HydrophobicContact CG-CD1 4.1Å; F526-L560 HydrophobicContact CD2-CD1 3.93Å; F526-L560 HydrophobicContact CE2-CD1 4.06Å; I542-L560 HydrophobicContact CD1-CD1 4.48Å; I542-L560 HydrophobicContact CD1-CD2 3.6Å; I542-L560 HydrophobicContact CG1-CD2 4.1Å; V556-L560 VanDerWaalsContact O-CB 3.24Å; V556-L560 WeakPolarHBondContact O-CB 3.17Å; V556-L560 PolarHBondContact O-N 3.4Å; L560-V563 PolarHBondContact O-N 3.01Å; L560-L564 HydrophobicContact CG-CD1 4.13Å; L560-L564 WeakPolarHBondContact O-CB 3.31Å; L560-L564 VanDerWaalsContact O-CG 3.3Å; L560-L564 WeakPolarHBondContact O-CG 3.37Å; L560-L564 PolarHBondContact O-N 3.33Å; L560-L587 HydrophobicContact CB-CD1 3.99Å; L560-L587 HydrophobicContact CD2-CD1 3.75Å; L560-L587 HydrophobicContact CD2-CD2 3.89Å; L560-L587 HydrophobicContact CD2-CG 4.35Å; L560-L587 HydrophobicContact CG-CD1 3.82Å
561S94.3Very high90.2Very high1 Ų161.1 Ų61.11%0.00729%0.286CS..Hα-helixtrans-64.4-39173.5-60.50000112.2S557 V558 E559 L565 V595S557-S561 VanDerWaalsContact O-CB 3.3Å; S557-S561 WeakPolarHBondContact O-CB 3.45Å; S557-S561 PolarHBondContact O-N 3.17Å; S557-S561 PolarHBondContact O-OG 3.27Å; V558-S561 PolarHBondContact O-N 2.9Å; E559-S561 VanDerWaalsContact C-N 3.34Å; E559-S561 PolarHBondContact O-N 3.12Å; S561-L565 VanDerWaalsContact O-CB 3.29Å; S561-L565 WeakPolarHBondContact O-CB 3.25Å; S561-L565 PolarHBondContact O-N 3.37Å; S561-V595 WeakPolarHBondContact OG-CG1 3.36Å
562K94.3Very high90Very high96 Ų9664.2 Ų64.242%0.41730%0.296SS..Hα-helixtrans-59.2-49.4172.7-74.2163.7176.9-1800111V558 E559 H566 Y598V558-K562 HydrophobicContact CG1-CD 4.34Å; V558-K562 VanDerWaalsContact O-CG 3.32Å; V558-K562 WeakPolarHBondContact O-CG 3.5Å; V558-K562 PolarHBondContact O-N 3.34Å; E559-K562 WeakPolarHBondContact O-CB 3.35Å; E559-K562 PolarHBondContact O-N 2.9Å; K562-H566 PolarHBondContact O-N 2.91Å; K562-H566 PolarHBondContact O-ND1 2.89Å; K562-Y598 WeakPolarHBondContact CA-OH 3.17Å; K562-Y598 HydrophobicContact CB-CE1 4.45Å; K562-Y598 HydrophobicContact CD-CE2 4.21Å; K562-Y598 HydrophobicContact CG-CD2 4.26Å; K562-Y598 HydrophobicContact CG-CE1 3.77Å; K562-Y598 HydrophobicContact CG-CE2 3.48Å; K562-Y598 VanDerWaalsContact CG-CE2 3.48Å; K562-Y598 VanDerWaalsContact CG-OH 3.27Å; K562-Y598 WeakPolarHBondContact CG-OH 3.45Å
563V94.6Very high90Very high24 Ų2462.5 Ų62.515%0.14529%0.285CS..Hα-helixtrans-62.8-49.2-179177.10000110.9F526 L527 E559 L560 L565 H566 M567F526-V563 HydrophobicContact CB-CG1 3.52Å; F526-V563 HydrophobicContact CD2-CG1 4.39Å; F526-V563 HydrophobicContact CG-CG1 4.4Å; L527-V563 HydrophobicContact CD1-CG2 4.42Å; L527-V563 HydrophobicContact CD2-CG1 4.15Å; L527-V563 HydrophobicContact CD2-CG2 3.57Å; L527-V563 HydrophobicContact CG-CG1 4.47Å; L527-V563 HydrophobicContact CG-CG2 4Å; E559-V563 WeakPolarHBondContact O-CG2 3.33Å; E559-V563 PolarHBondContact O-N 3.38Å; E559-V563 VanDerWaalsContact O-N 3.09Å; L560-V563 PolarHBondContact O-N 3.01Å; V563-L565 PolarHBondContact O-N 2.97Å; V563-H566 PolarHBondContact O-N 2.59Å; V563-M567 WeakPolarHBondContact O-CB 3.42Å; V563-M567 PolarHBondContact O-N 3.13Å
564L93.9Very high89.8Confident0 Ų068.2 Ų68.20%032%0.32CS..Hα-helixtrans-64.4-37.2-178.2-70.6169.7000113F526 L539 L560 H566 M567 R580 A583 M584 L587F526-L564 HydrophobicContact CD2-CD2 4.28Å; F526-L564 HydrophobicContact CE2-CD2 3.99Å; L539-L564 HydrophobicContact CD2-CD2 4.41Å; L560-L564 HydrophobicContact CG-CD1 4.13Å; L560-L564 WeakPolarHBondContact O-CB 3.31Å; L560-L564 VanDerWaalsContact O-CG 3.3Å; L560-L564 WeakPolarHBondContact O-CG 3.37Å; L560-L564 PolarHBondContact O-N 3.33Å; L564-H566 VanDerWaalsContact C-N 3.29Å; L564-H566 PolarHBondContact O-N 3.4Å; L564-M567 HydrophobicContact CD2-SD 4.35Å; L564-M567 PolarHBondContact O-N 2.84Å; L564-R580 HydrophobicContact CB-CG 4.47Å; L564-R580 HydrophobicContact CD2-CG 4.33Å; L564-R580 VanDerWaalsContact O-CD 3.29Å; L564-R580 WeakPolarHBondContact O-CD 3.37Å; L564-A583 HydrophobicContact CD1-CB 3.82Å; L564-A583 HydrophobicContact CD2-CB 4.47Å; L564-M584 HydrophobicContact CB-CG 3.65Å; L564-M584 HydrophobicContact CB-SD 4.07Å; L564-M584 HydrophobicContact CD1-CG 3.93Å; L564-M584 HydrophobicContact CG-CG 4.42Å; L564-L587 HydrophobicContact CD1-CD1 3.67Å
565L92.9Very high89.7Confident1 Ų162.9 Ų62.91%0.00531%0.312CS..Hα-helixtrans-64.3-34178.2-178.862.3000112.8S561 V563 M584 Y598 L599 E602 Y608 Q612 I616S561-L565 VanDerWaalsContact O-CB 3.29Å; S561-L565 WeakPolarHBondContact O-CB 3.25Å; S561-L565 PolarHBondContact O-N 3.37Å; V563-L565 PolarHBondContact O-N 2.97Å; L565-M584 HydrophobicContact CB-CE 4.07Å; L565-M584 HydrophobicContact CD1-CE 4.11Å; L565-Y598 HydrophobicContact CD2-CE1 4.24Å; L565-L599 HydrophobicContact CD2-CD2 4.33Å; L565-E602 HydrophobicContact CD2-CB 4.29Å; L565-E602 HydrophobicContact CD2-CG 4.49Å; L565-Y608 HydrophobicContact CD2-CE1 3.66Å; L565-Y608 HydrophobicContact CG-CE1 4.08Å; L565-Q612 PolarHBondContact O-NE2 3.46Å; L565-I616 HydrophobicContact CD1-CD1 4.14Å; L565-I616 HydrophobicContact CD1-CG1 3.67Å; L565-I616 HydrophobicContact CD2-CD1 4.11Å; L565-I616 HydrophobicContact CD2-CG1 4.3Å
566H91.7Very high89.7Confident91 Ų9156.8 Ų56.842%0.42128%0.283SS..Hα-helixtrans-95.80.2-179.6-62.484.7000113.3K562 V563 L564 E568 Y608K562-H566 PolarHBondContact O-N 2.91Å; K562-H566 PolarHBondContact O-ND1 2.89Å; V563-H566 PolarHBondContact O-N 2.59Å; L564-H566 VanDerWaalsContact C-N 3.29Å; L564-H566 PolarHBondContact O-N 3.4Å; H566-E568 PolarHBondContact O-N 3.36Å; H566-Y608 AromaticContact CE1-CE1 3.75Å; H566-Y608 AromaticContact CE1-CZ 3.69Å; H566-Y608 PolarHBondContact CE1-OH 3.05Å; H566-Y608 AromaticContact NE2-CE1 3.39Å; H566-Y608 WeakPolarHBondContact NE2-CE1 3.47Å; H566-Y608 AromaticContact NE2-CZ 3.38Å; H566-Y608 PolarHBondContact NE2-OH 3.24Å; H566-Y608 VanDerWaalsContact NE2-OH 3.12Å
567M90Very high89.6Confident21 Ų2161.4 Ų61.410%0.10331%0.307CS..  trans-74.3127.6-177.6-159.5179.3-165.900110.6F526 V535 L539 V563 L564 F576 R580F526-M567 HydrophobicContact CB-CE 4.09Å; F526-M567 HydrophobicContact CD1-CE 3.43Å; F526-M567 VanDerWaalsContact CD1-CE 3.43Å; F526-M567 HydrophobicContact CD1-SD 4.15Å; F526-M567 HydrophobicContact CE1-CE 4.12Å; F526-M567 HydrophobicContact CG-CE 3.95Å; F526-M567 HydrophobicContact CG-SD 4.3Å; V535-M567 HydrophobicContact CG1-CE 3.62Å; L539-M567 HydrophobicContact CD1-CE 4.39Å; L539-M567 HydrophobicContact CD2-CE 4.43Å; L539-M567 HydrophobicContact CD2-SD 3.96Å; V563-M567 WeakPolarHBondContact O-CB 3.42Å; V563-M567 PolarHBondContact O-N 3.13Å; L564-M567 HydrophobicContact CD2-SD 4.35Å; L564-M567 PolarHBondContact O-N 2.84Å; M567-F576 HydrophobicContact CB-CZ 4.18Å; M567-F576 HydrophobicContact CG-CE2 4.16Å; M567-F576 HydrophobicContact CG-CZ 3.91Å; M567-F576 HydrophobicContact SD-CE2 4.03Å; M567-F576 HydrophobicContact SD-CZ 4.26Å; M567-R580 PolarHBondContact O-NH1 3.27Å
568E86.1Confident89.5Confident139 Ų13963.5 Ų63.565%0.6532%0.322SS*.  trans-106.4153174.5-65.6-179.6169.300110.7H566 R570H566-E568 PolarHBondContact O-N 3.36Å; E568-R570 VanDerWaalsContact C-N 3.29Å; E568-R570 PolarHBondContact O-N 2.85Å
569D86.1Confident89.4Confident60 Ų6063.6 Ų63.632%0.32132%0.321SS..  trans-8175.6179.8-167.18000111.5Y571 N572 T573 F576D569-Y571 PolarHBondContact O-N 3.22Å; D569-N572 WeakPolarHBondContact OD1-CA 3.24Å; D569-N572 PolarHBondContact OD1-N 2.77Å; D569-N572 WeakPolarHBondContact OD2-CA 3.35Å; D569-T573 PolarHBondContact OD1-N 3.23Å; D569-T573 PolarHBondContact OD1-OG1 2.71Å; D569-T573 PolarHBondContact OD2-N 3.35Å; D569-F576 HydrophobicContact CB-CB 4.22Å; D569-F576 HydrophobicContact CB-CD1 3.61Å; D569-F576 HydrophobicContact CB-CD2 4.11Å; D569-F576 HydrophobicContact CB-CE1 3.92Å; D569-F576 HydrophobicContact CB-CE2 4.4Å; D569-F576 HydrophobicContact CB-CG 3.71Å; D569-F576 HydrophobicContact CB-CZ 4.31Å; D569-F576 WeakPolarHBondContact OD2-CB 3.4Å
570R84Confident89.5Confident197 Ų19759.4 Ų59.474%0.74330%0.3SS*.THydrogen-bonded Turntrans-68-19.4-179.2-62.1-176.9-175.5176.52.6113.6E568E568-R570 VanDerWaalsContact C-N 3.29Å; E568-R570 PolarHBondContact O-N 2.85Å
571Y83.3Confident89.5Confident82 Ų8261.3 Ų61.332%0.32231%0.309SS..THydrogen-bonded Turntrans-119.37.5-168.9-55.3-68.5000114E530 P532 V535 D569 T573E530-Y571 VanDerWaalsContact CA-OH 3.28Å; E530-Y571 WeakPolarHBondContact CA-OH 3.36Å; E530-Y571 PolarHBondContact O-OH 3.09Å; E530-Y571 VanDerWaalsContact O-OH 3.09Å; P532-Y571 HydrophobicContact CB-CD1 3.67Å; P532-Y571 HydrophobicContact CB-CE1 4.22Å; P532-Y571 HydrophobicContact CB-CG 3.82Å; V535-Y571 HydrophobicContact CB-CD2 4.38Å; V535-Y571 HydrophobicContact CB-CE2 4.37Å; V535-Y571 HydrophobicContact CG1-CD2 4.31Å; V535-Y571 HydrophobicContact CG1-CE2 4.47Å; V535-Y571 HydrophobicContact CG2-CE2 4.11Å; D569-Y571 PolarHBondContact O-N 3.22Å; Y571-T573 PolarHBondContact O-N 3.02Å
572N82.5Confident89.5Confident146 Ų14662.5 Ų62.578%0.78132%0.319SS*.  trans53.352.4-176.2-168.831.6000112.2D569D569-N572 WeakPolarHBondContact OD1-CA 3.24Å; D569-N572 PolarHBondContact OD1-N 2.77Å; D569-N572 WeakPolarHBondContact OD2-CA 3.35Å
573T85.3Confident89.5Confident13 Ų1357.9 Ų57.98%0.0830%0.299CS..  trans-72.2128.6-174.1-47.50000110.1D536 L539 D569 Y571 G575 F576D536-T573 HydrophobicContact CB-CG2 4Å; D536-T573 WeakPolarHBondContact OD1-CG2 3.36Å; L539-T573 HydrophobicContact CD1-CG2 4.36Å; D569-T573 PolarHBondContact OD1-N 3.23Å; D569-T573 PolarHBondContact OD1-OG1 2.71Å; D569-T573 PolarHBondContact OD2-N 3.35Å; Y571-T573 PolarHBondContact O-N 3.02Å; T573-G575 PolarHBondContact O-N 3.34Å; T573-F576 WeakPolarHBondContact O-CB 3.32Å; T573-F576 PolarHBondContact O-N 3.2Å
574V84.5Confident89.6Confident122 Ų12257 Ų5774%0.73929%0.293SS*.THydrogen-bonded Turntrans-60116.2-179.3-178.20000110.2F576V574-F576 VanDerWaalsContact C-N 3.34Å
575G87.1Confident89.7Confident38 Ų3857.4 Ų57.439%0.39230%0.296SS..THydrogen-bonded Turntrans74.120.1179.900000114.7T573 L577 S578 L579T573-G575 PolarHBondContact O-N 3.34Å; G575-L577 VanDerWaalsContact C-N 3.33Å; G575-L577 PolarHBondContact O-N 2.65Å; G575-S578 WeakPolarHBondContact O-CA 3.4Å; G575-S578 PolarHBondContact O-N 2.68Å; G575-S578 PolarHBondContact O-OG 3.17Å; G575-L579 PolarHBondContact O-N 2.74Å
576F90.6Very high89.7Confident8 Ų857.4 Ų57.44%0.03530%0.296CS..Hα-helixtrans-40.8-55.3-179.6178.1-100.8000113.6L539 M567 D569 T573 V574 S578 L579 R580L539-F576 HydrophobicContact CD1-CD2 3.63Å; L539-F576 HydrophobicContact CD1-CE2 3.78Å; M567-F576 HydrophobicContact CB-CZ 4.18Å; M567-F576 HydrophobicContact CG-CE2 4.16Å; M567-F576 HydrophobicContact CG-CZ 3.91Å; M567-F576 HydrophobicContact SD-CE2 4.03Å; M567-F576 HydrophobicContact SD-CZ 4.26Å; D569-F576 HydrophobicContact CB-CB 4.22Å; D569-F576 HydrophobicContact CB-CD1 3.61Å; D569-F576 HydrophobicContact CB-CD2 4.11Å; D569-F576 HydrophobicContact CB-CE1 3.92Å; D569-F576 HydrophobicContact CB-CE2 4.4Å; D569-F576 HydrophobicContact CB-CG 3.71Å; D569-F576 HydrophobicContact CB-CZ 4.31Å; D569-F576 WeakPolarHBondContact OD2-CB 3.4Å; T573-F576 WeakPolarHBondContact O-CB 3.32Å; T573-F576 PolarHBondContact O-N 3.2Å; V574-F576 VanDerWaalsContact C-N 3.34Å; F576-S578 VanDerWaalsContact C-N 3.26Å; F576-S578 PolarHBondContact O-N 3.08Å; F576-L579 PolarHBondContact O-N 3.45Å; F576-R580 VanDerWaalsContact O-CB 3.3Å; F576-R580 WeakPolarHBondContact O-CB 3.3Å; F576-R580 PolarHBondContact O-N 3.3Å
577L88.2Confident89.9Confident99 Ų9953.1 Ų53.152%0.51828%0.276SS..Hα-helixtrans-58-39.6-177.5-65.9176000112.1G575 Q581G575-L577 VanDerWaalsContact C-N 3.33Å; G575-L577 PolarHBondContact O-N 2.65Å; L577-Q581 WeakPolarHBondContact O-CB 3.47Å; L577-Q581 PolarHBondContact O-N 3.18Å
578S90.9Very high90.2Very high47 Ų4752.1 Ų52.133%0.32927%0.271SS..Hα-helixtrans-73.5-38179.767.10000112.9G575 F576 A582G575-S578 WeakPolarHBondContact O-CA 3.4Å; G575-S578 PolarHBondContact O-N 2.68Å; G575-S578 PolarHBondContact O-OG 3.17Å; F576-S578 VanDerWaalsContact C-N 3.26Å; F576-S578 PolarHBondContact O-N 3.08Å; S578-A582 VanDerWaalsContact O-CB 3.27Å; S578-A582 WeakPolarHBondContact O-CB 3.36Å; S578-A582 PolarHBondContact O-N 3.43Å
579L92.2Very high90.6Very high41 Ų4146.1 Ų46.122%0.21524%0.244CC..Hα-helixtrans-68.2-46.3176.7-68.3173.4000110.9L539 R540 G575 F576 Q581 A582 A583L539-L579 HydrophobicContact CB-CB 4.39Å; L539-L579 HydrophobicContact CB-CD1 4.28Å; R540-L579 HydrophobicContact CG-CD1 3.97Å; R540-L579 HydrophobicContact CG-CD2 4.49Å; G575-L579 PolarHBondContact O-N 2.74Å; F576-L579 PolarHBondContact O-N 3.45Å; L579-Q581 PolarHBondContact O-N 3.16Å; L579-A582 PolarHBondContact O-N 3.41Å; L579-A583 WeakPolarHBondContact O-CB 3.46Å; L579-A583 PolarHBondContact O-N 2.89Å
580R94Very high90.9Very high22 Ų2244.2 Ų44.28%0.08323%0.234CC..Hα-helixtrans-59-47.2175.6-171.3-175.574.7157.76111.2L564 M567 F576 A583 M584 D615L564-R580 HydrophobicContact CB-CG 4.47Å; L564-R580 HydrophobicContact CD2-CG 4.33Å; L564-R580 VanDerWaalsContact O-CD 3.29Å; L564-R580 WeakPolarHBondContact O-CD 3.37Å; M567-R580 PolarHBondContact O-NH1 3.27Å; F576-R580 VanDerWaalsContact O-CB 3.3Å; F576-R580 WeakPolarHBondContact O-CB 3.3Å; F576-R580 PolarHBondContact O-N 3.3Å; R580-A583 PolarHBondContact O-N 3.34Å; R580-M584 WeakPolarHBondContact O-CG 3.34Å; R580-M584 PolarHBondContact O-N 3.39Å; R580-D615 IonicContact CZ-OD2 2.69Å; R580-D615 IonicContact NH2-OD2 3.88Å; R580-D615 PolarHBondContact NH2-OD2 3.21Å
581Q93.8Very high91.4Very high39 Ų3936.2 Ų36.218%0.18221%0.206CC..Hα-helixtrans-62.9-46.3177.1-177.7-176.470.300111.8L577 L579 A583 M584 V585 E618 V619 L622L577-Q581 WeakPolarHBondContact O-CB 3.47Å; L577-Q581 PolarHBondContact O-N 3.18Å; L579-Q581 PolarHBondContact O-N 3.16Å; Q581-A583 VanDerWaalsContact C-N 3.3Å; Q581-A583 PolarHBondContact O-N 3.24Å; Q581-M584 PolarHBondContact O-N 3.46Å; Q581-V585 HydrophobicContact CG-CG2 4.36Å; Q581-V585 WeakPolarHBondContact O-CB 3.44Å; Q581-V585 VanDerWaalsContact O-CG2 3.29Å; Q581-V585 WeakPolarHBondContact O-CG2 3.47Å; Q581-V585 PolarHBondContact O-N 2.73Å; Q581-E618 PolarHBondContact NE2-OE1 3.19Å; Q581-E618 PolarHBondContact NE2-OE2 2.87Å; Q581-V619 HydrophobicContact CG-CG2 4.25Å; Q581-L622 HydrophobicContact CG-CD1 3.87Å
582A93.6Very high91.9Very high26 Ų2633.3 Ų33.322%0.21520%0.198CC..Hα-helixtrans-60.3-40.4178.600000112E543 S578 L579 V585 A586E543-A582 HydrophobicContact CG-CB 4.42Å; S578-A582 VanDerWaalsContact O-CB 3.27Å; S578-A582 WeakPolarHBondContact O-CB 3.36Å; S578-A582 PolarHBondContact O-N 3.43Å; L579-A582 PolarHBondContact O-N 3.41Å; A582-V585 PolarHBondContact O-N 3.27Å; A582-A586 WeakPolarHBondContact O-CB 3.4Å; A582-A586 PolarHBondContact O-N 3.19Å
583A94.8Very high92.5Very high0 Ų028.6 Ų28.60%018%0.175CC..Hα-helixtrans-62.4-48.2174.900000112.2I542 L564 L579 R580 Q581 V585 A586 L587I542-A583 HydrophobicContact CG1-CB 4.42Å; I542-A583 HydrophobicContact CG2-CB 3.49Å; I542-A583 VanDerWaalsContact CG2-CB 3.49Å; L564-A583 HydrophobicContact CD1-CB 3.82Å; L564-A583 HydrophobicContact CD2-CB 4.47Å; L579-A583 WeakPolarHBondContact O-CB 3.46Å; L579-A583 PolarHBondContact O-N 2.89Å; R580-A583 PolarHBondContact O-N 3.34Å; Q581-A583 VanDerWaalsContact C-N 3.3Å; Q581-A583 PolarHBondContact O-N 3.24Å; A583-V585 PolarHBondContact O-N 3.06Å; A583-A586 PolarHBondContact O-N 3.13Å; A583-L587 WeakPolarHBondContact O-CG 3.45Å; A583-L587 PolarHBondContact O-N 2.92Å
584M95.3Very high92.9Very high4 Ų430 Ų302%0.0218%0.184CC..Hα-helixtrans-62.5-42.5177.5-69.9-17871.700111.9L564 L565 R580 Q581 L587 T588 L599 V619L564-M584 HydrophobicContact CB-CG 3.65Å; L564-M584 HydrophobicContact CB-SD 4.07Å; L564-M584 HydrophobicContact CD1-CG 3.93Å; L564-M584 HydrophobicContact CG-CG 4.42Å; L565-M584 HydrophobicContact CB-CE 4.07Å; L565-M584 HydrophobicContact CD1-CE 4.11Å; R580-M584 WeakPolarHBondContact O-CG 3.34Å; R580-M584 PolarHBondContact O-N 3.39Å; Q581-M584 PolarHBondContact O-N 3.46Å; M584-L587 PolarHBondContact O-N 2.89Å; M584-T588 PolarHBondContact O-N 3.32Å; M584-T588 PolarHBondContact O-OG1 2.88Å; M584-L599 HydrophobicContact CE-CD2 3.87Å; M584-V619 HydrophobicContact CB-CG1 3.88Å; M584-V619 HydrophobicContact CB-CG2 3.93Å; M584-V619 HydrophobicContact CE-CG2 4.26Å; M584-V619 HydrophobicContact SD-CG2 4.26Å
585V96.2Very high93.5Very high10 Ų1024.1 Ų24.16%0.06115%0.148CC..Hα-helixtrans-61-46.6175.3170.30000110.9Q581 A582 A583 L587 T588 V589 V619 L622Q581-V585 HydrophobicContact CG-CG2 4.36Å; Q581-V585 WeakPolarHBondContact O-CB 3.44Å; Q581-V585 VanDerWaalsContact O-CG2 3.29Å; Q581-V585 WeakPolarHBondContact O-CG2 3.47Å; Q581-V585 PolarHBondContact O-N 2.73Å; A582-V585 PolarHBondContact O-N 3.27Å; A583-V585 PolarHBondContact O-N 3.06Å; V585-L587 VanDerWaalsContact C-N 3.28Å; V585-L587 PolarHBondContact O-N 3.5Å; V585-T588 PolarHBondContact O-N 2.89Å; V585-V589 HydrophobicContact CG1-CG2 4.31Å; V585-V589 VanDerWaalsContact O-CG2 3.27Å; V585-V589 WeakPolarHBondContact O-CG2 3.41Å; V585-V589 PolarHBondContact O-N 3.46Å; V585-V619 HydrophobicContact CG2-CG1 4.21Å; V585-L622 HydrophobicContact CG1-CB 4.41Å; V585-L622 HydrophobicContact CG2-CB 3.63Å; V585-L622 HydrophobicContact CG2-CD1 4.26Å
586A94.4Very high93.9Very high0 Ų022.3 Ų22.30%013%0.13CC..Hα-helixtrans-59.9-38177.500000112.3E543 V546 R547 A582 A583 T590E543-A586 HydrophobicContact CG-CB 3.89Å; V546-A586 HydrophobicContact CB-CB 4.39Å; V546-A586 HydrophobicContact CG1-CB 4.03Å; R547-A586 HydrophobicContact CG-CB 4.28Å; A582-A586 WeakPolarHBondContact O-CB 3.4Å; A582-A586 PolarHBondContact O-N 3.19Å; A583-A586 PolarHBondContact O-N 3.13Å; A586-T590 WeakPolarHBondContact O-CB 3.23Å; A586-T590 PolarHBondContact O-N 3.22Å; A586-T590 VanDerWaalsContact O-N 3.08Å; A586-T590 PolarHBondContact O-OG1 2.97Å
587L95.3Very high94.2Very high1 Ų126.3 Ų26.31%0.00515%0.148CC..Hα-helixtrans-66.1-49174.9-71.4169.3000111.7V546 L560 L564 A583 M584 V585 V589 T590 D591V546-L587 HydrophobicContact CB-CD2 4.43Å; V546-L587 HydrophobicContact CG1-CD2 3.85Å; V546-L587 HydrophobicContact CG1-CG 4.31Å; V546-L587 HydrophobicContact CG2-CD2 3.61Å; V546-L587 HydrophobicContact CG2-CG 4.14Å; L560-L587 HydrophobicContact CB-CD1 3.99Å; L560-L587 HydrophobicContact CD2-CD1 3.75Å; L560-L587 HydrophobicContact CD2-CD2 3.89Å; L560-L587 HydrophobicContact CD2-CG 4.35Å; L560-L587 HydrophobicContact CG-CD1 3.82Å; L564-L587 HydrophobicContact CD1-CD1 3.67Å; A583-L587 WeakPolarHBondContact O-CG 3.45Å; A583-L587 PolarHBondContact O-N 2.92Å; M584-L587 PolarHBondContact O-N 2.89Å; V585-L587 VanDerWaalsContact C-N 3.28Å; V585-L587 PolarHBondContact O-N 3.5Å; L587-V589 VanDerWaalsContact C-N 3.27Å; L587-V589 PolarHBondContact O-N 2.98Å; L587-T590 PolarHBondContact O-N 3.46Å; L587-T590 VanDerWaalsContact O-N 3.1Å; L587-D591 PolarHBondContact O-N 3.43Å
588T95.8Very high94.5Very high1 Ų122.6 Ų22.61%0.00613%0.128CC..Hα-helixtrans-63.2-31.9178.6-49.20000112M584 V585 S592 V595 S623 F697M584-T588 PolarHBondContact O-N 3.32Å; M584-T588 PolarHBondContact O-OG1 2.88Å; V585-T588 PolarHBondContact O-N 2.89Å; T588-S592 WeakPolarHBondContact O-CA 3.48Å; T588-S592 WeakPolarHBondContact O-CB 3.49Å; T588-S592 PolarHBondContact O-N 3.05Å; T588-V595 HydrophobicContact CG2-CG1 4.35Å; T588-V595 WeakPolarHBondContact OG1-CG1 3.32Å; T588-S623 WeakPolarHBondContact CG2-OG 3.36Å; T588-F697 HydrophobicContact CG2-CE1 3.98Å; T588-F697 HydrophobicContact CG2-CZ 3.86Å
589V94.9Very high94.8Very high12 Ų1220.3 Ų20.37%0.07311%0.112CC..Hα-helixtrans-73.6-33.6174.5172.30000112.1V585 L587 E626 L627V585-V589 HydrophobicContact CG1-CG2 4.31Å; V585-V589 VanDerWaalsContact O-CG2 3.27Å; V585-V589 WeakPolarHBondContact O-CG2 3.41Å; V585-V589 PolarHBondContact O-N 3.46Å; L587-V589 VanDerWaalsContact C-N 3.27Å; L587-V589 PolarHBondContact O-N 2.98Å; V589-E626 HydrophobicContact CG2-CB 3.98Å; V589-E626 HydrophobicContact CG2-CG 4.22Å; V589-L627 HydrophobicContact CG1-CD2 3.88Å; V589-L627 HydrophobicContact CG1-CG 4.37Å; V589-L627 HydrophobicContact CG2-CG 4.26Å
590T93.1Very high94.9Very high20 Ų2018.6 Ų18.612%0.12310%0.103CC..Hα-helixtrans-78.8-38.2-176.7-57.40000112.4T550 A553 R554 A586 L587T550-T590 HydrophobicContact CG2-CG2 4.04Å; A553-T590 HydrophobicContact CB-CG2 3.96Å; R554-T590 PolarHBondContact NE-O 3.14Å; A586-T590 WeakPolarHBondContact O-CB 3.23Å; A586-T590 PolarHBondContact O-N 3.22Å; A586-T590 VanDerWaalsContact O-N 3.08Å; A586-T590 PolarHBondContact O-OG1 2.97Å; L587-T590 PolarHBondContact O-N 3.46Å; L587-T590 VanDerWaalsContact O-N 3.1Å
591D93.8Very high94.9Very high29 Ų2921.8 Ų21.816%0.15513%0.125CC..SBendtrans-13566.5-178.9-16115000111.9R554 S557 L587 V593 P594 V595R554-D591 HydrophobicContact CG-CB 3.97Å; S557-D591 WeakPolarHBondContact CB-OD2 3.42Å; S557-D591 PolarHBondContact OG-OD2 3.3Å; L587-D591 PolarHBondContact O-N 3.43Å; D591-V593 PolarHBondContact O-N 3.48Å; D591-P594 HydrophobicContact CB-CG 4.29Å; D591-P594 WeakPolarHBondContact O-CD 3.46Å; D591-P594 VanDerWaalsContact OD1-CD 3.3Å; D591-P594 WeakPolarHBondContact OD1-CD 3.4Å; D591-P594 WeakPolarHBondContact OD1-CG 3.4Å; D591-P594 WeakPolarHBondContact OD2-CG 3.46Å; D591-V595 HydrophobicContact CB-CG2 4.3Å; D591-V595 WeakPolarHBondContact O-CB 3.26Å; D591-V595 VanDerWaalsContact O-CG2 3.29Å; D591-V595 WeakPolarHBondContact O-CG2 3.39Å; D591-V595 PolarHBondContact O-N 3.44Å
592S93.4Very high94.9Very high22 Ų2221.8 Ų21.815%0.15413%0.125CC..Hα-helixtrans-58.8-44-167.756.70000116.5T588 T596T588-S592 WeakPolarHBondContact O-CA 3.48Å; T588-S592 WeakPolarHBondContact O-CB 3.49Å; T588-S592 PolarHBondContact O-N 3.05Å; S592-T596 WeakPolarHBondContact O-CB 3.3Å; S592-T596 PolarHBondContact O-N 3.23Å; S592-T596 VanDerWaalsContact O-N 3.14Å; S592-T596 PolarHBondContact O-OG1 2.88Å
593V94.6Very high94.9Very high47 Ų4720.6 Ų20.629%0.28512%0.115SC..Hα-helixtrans-68.5-60.1-175178.10000112D591 V595 T596 E597 V693D591-V593 PolarHBondContact O-N 3.48Å; V593-V595 PolarHBondContact O-N 3.02Å; V593-T596 PolarHBondContact O-N 3.37Å; V593-E597 WeakPolarHBondContact CG1-OE1 3.5Å; V593-E597 WeakPolarHBondContact O-CG 3.24Å; V593-E597 PolarHBondContact O-N 3.1Å; V593-V693 HydrophobicContact CG2-CG1 4.29Å
594P95.5Very high94.7Very high41 Ų4121.3 Ų21.327%0.26612%0.118SC..Hα-helixtrans-67.8-34.9-173.527.5-36000113.1V558 D591 Y598V558-P594 HydrophobicContact CG2-CB 3.89Å; D591-P594 HydrophobicContact CB-CG 4.29Å; D591-P594 WeakPolarHBondContact O-CD 3.46Å; D591-P594 VanDerWaalsContact OD1-CD 3.3Å; D591-P594 WeakPolarHBondContact OD1-CD 3.4Å; D591-P594 WeakPolarHBondContact OD1-CG 3.4Å; D591-P594 WeakPolarHBondContact OD2-CG 3.46Å; P594-Y598 WeakPolarHBondContact O-CB 3.43Å; P594-Y598 PolarHBondContact O-N 3.15Å
595V96.6Very high94.5Very high0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-69.4-40.6177.11780000110.8S561 T588 D591 V593 Y598 L599S561-V595 WeakPolarHBondContact OG-CG1 3.36Å; T588-V595 HydrophobicContact CG2-CG1 4.35Å; T588-V595 WeakPolarHBondContact OG1-CG1 3.32Å; D591-V595 HydrophobicContact CB-CG2 4.3Å; D591-V595 WeakPolarHBondContact O-CB 3.26Å; D591-V595 VanDerWaalsContact O-CG2 3.29Å; D591-V595 WeakPolarHBondContact O-CG2 3.39Å; D591-V595 PolarHBondContact O-N 3.44Å; V593-V595 PolarHBondContact O-N 3.02Å; V595-Y598 PolarHBondContact O-N 3Å; V595-L599 HydrophobicContact CG1-CD1 4.01Å; V595-L599 HydrophobicContact CG1-CG 4.31Å; V595-L599 WeakPolarHBondContact O-CB 3.45Å; V595-L599 VanDerWaalsContact O-CG 3.3Å; V595-L599 WeakPolarHBondContact O-CG 3.38Å; V595-L599 PolarHBondContact O-N 2.94Å
596T95.8Very high93.9Very high0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-67.6-41.5177.5-60.90000111.7S592 V593 Y598 L599 T600 L620 H696 F697S592-T596 WeakPolarHBondContact O-CB 3.3Å; S592-T596 PolarHBondContact O-N 3.23Å; S592-T596 VanDerWaalsContact O-N 3.14Å; S592-T596 PolarHBondContact O-OG1 2.88Å; V593-T596 PolarHBondContact O-N 3.37Å; T596-Y598 VanDerWaalsContact C-N 3.3Å; T596-Y598 PolarHBondContact O-N 3.5Å; T596-L599 PolarHBondContact O-N 3.41Å; T596-T600 HydrophobicContact CG2-CG2 4.06Å; T596-T600 WeakPolarHBondContact O-CB 3.46Å; T596-T600 VanDerWaalsContact O-CG2 3.3Å; T596-T600 WeakPolarHBondContact O-CG2 3.25Å; T596-T600 PolarHBondContact O-N 3.31Å; T596-T600 PolarHBondContact O-OG1 2.88Å; T596-L620 HydrophobicContact CG2-CD2 3.87Å; T596-H696 VanDerWaalsContact CG2-O 3.25Å; T596-H696 WeakPolarHBondContact CG2-O 3.33Å; T596-F697 HydrophobicContact CG2-CB 4.28Å; T596-F697 HydrophobicContact CG2-CD1 4.09Å; T596-F697 HydrophobicContact CG2-CD2 3.9Å; T596-F697 HydrophobicContact CG2-CE1 4.41Å; T596-F697 HydrophobicContact CG2-CE2 4.24Å; T596-F697 HydrophobicContact CG2-CG 3.81Å; T596-F697 HydrophobicContact CG2-CZ 4.48Å; T596-F697 WeakPolarHBondContact OG1-CE2 3.36Å; T596-F697 VanDerWaalsContact OG1-CZ 3.24Å; T596-F697 WeakPolarHBondContact OG1-CZ 3.48Å
597E95.4Very high93.3Very high91 Ų9133.6 Ų33.643%0.42519%0.185SC..Hα-helixtrans-60-41.6174.8-75.2177.9179.400111.6V593 T600 T601 H696V593-E597 WeakPolarHBondContact CG1-OE1 3.5Å; V593-E597 WeakPolarHBondContact O-CG 3.24Å; V593-E597 PolarHBondContact O-N 3.1Å; E597-T600 PolarHBondContact O-OG1 3.33Å; E597-T601 VanDerWaalsContact O-CB 3.32Å; E597-T601 WeakPolarHBondContact O-CB 3.5Å; E597-T601 PolarHBondContact O-N 2.85Å; E597-T601 VanDerWaalsContact O-N 3.12Å; E597-T601 PolarHBondContact O-OG1 3.25Å; E597-H696 IonicContact OE1-ND1 2.9Å
598Y96.2Very high93Very high21 Ų2134.7 Ų34.78%0.08219%0.189CC..Hα-helixtrans-61-56.6172.5171.2-108.1000111.7V558 K562 L565 P594 V595 T596 T600 T601 E602V558-Y598 HydrophobicContact CG1-CD2 4.49Å; V558-Y598 HydrophobicContact CG1-CG 4.33Å; K562-Y598 WeakPolarHBondContact CA-OH 3.17Å; K562-Y598 HydrophobicContact CB-CE1 4.45Å; K562-Y598 HydrophobicContact CD-CE2 4.21Å; K562-Y598 HydrophobicContact CG-CD2 4.26Å; K562-Y598 HydrophobicContact CG-CE1 3.77Å; K562-Y598 HydrophobicContact CG-CE2 3.48Å; K562-Y598 VanDerWaalsContact CG-CE2 3.48Å; K562-Y598 VanDerWaalsContact CG-OH 3.27Å; K562-Y598 WeakPolarHBondContact CG-OH 3.45Å; L565-Y598 HydrophobicContact CD2-CE1 4.24Å; P594-Y598 WeakPolarHBondContact O-CB 3.43Å; P594-Y598 PolarHBondContact O-N 3.15Å; V595-Y598 PolarHBondContact O-N 3Å; T596-Y598 VanDerWaalsContact C-N 3.3Å; T596-Y598 PolarHBondContact O-N 3.5Å; Y598-T600 VanDerWaalsContact C-N 3.35Å; Y598-T600 PolarHBondContact O-N 3.15Å; Y598-T601 WeakPolarHBondContact O-CB 3.43Å; Y598-T601 PolarHBondContact O-N 3.49Å; Y598-T601 VanDerWaalsContact O-N 3.12Å; Y598-E602 HydrophobicContact CD2-CG 3.9Å; Y598-E602 HydrophobicContact CE1-CG 4.18Å; Y598-E602 HydrophobicContact CE2-CG 3.33Å; Y598-E602 VanDerWaalsContact CE2-OE1 3.26Å; Y598-E602 WeakPolarHBondContact CE2-OE1 3.35Å; Y598-E602 VanDerWaalsContact CZ-CG 3.46Å; Y598-E602 WeakPolarHBondContact O-CG 3.44Å; Y598-E602 PolarHBondContact O-N 3.42Å
599L96.1Very high92.7Very high0 Ų037.4 Ų37.40%021%0.208CC..Hα-helixtrans-59.3-42.6-176.2-71.7177.2000112.8L565 M584 V595 T596 T601 E602 F603 I616 V619 L620L565-L599 HydrophobicContact CD2-CD2 4.33Å; M584-L599 HydrophobicContact CE-CD2 3.87Å; V595-L599 HydrophobicContact CG1-CD1 4.01Å; V595-L599 HydrophobicContact CG1-CG 4.31Å; V595-L599 WeakPolarHBondContact O-CB 3.45Å; V595-L599 VanDerWaalsContact O-CG 3.3Å; V595-L599 WeakPolarHBondContact O-CG 3.38Å; V595-L599 PolarHBondContact O-N 2.94Å; T596-L599 PolarHBondContact O-N 3.41Å; L599-T601 VanDerWaalsContact C-N 3.33Å; L599-E602 PolarHBondContact O-N 3.32Å; L599-F603 PolarHBondContact O-N 2.89Å; L599-I616 HydrophobicContact CB-CG2 4.03Å; L599-I616 HydrophobicContact CD2-CG1 4.28Å; L599-V619 HydrophobicContact CD1-CG1 4.07Å; L599-L620 HydrophobicContact CB-CD2 4.35Å; L599-L620 HydrophobicContact CD1-CD2 4.05Å; L599-L620 HydrophobicContact CD1-CG 4.47Å
600T94.9Very high92.4Very high5 Ų540.7 Ų40.73%0.03122%0.224CC..Hα-helixtrans-70.6-29178.855.40000112.8T596 E597 Y598 L620 P700 L701T596-T600 HydrophobicContact CG2-CG2 4.06Å; T596-T600 WeakPolarHBondContact O-CB 3.46Å; T596-T600 VanDerWaalsContact O-CG2 3.3Å; T596-T600 WeakPolarHBondContact O-CG2 3.25Å; T596-T600 PolarHBondContact O-N 3.31Å; T596-T600 PolarHBondContact O-OG1 2.88Å; E597-T600 PolarHBondContact O-OG1 3.33Å; Y598-T600 VanDerWaalsContact C-N 3.35Å; Y598-T600 PolarHBondContact O-N 3.15Å; T600-L620 HydrophobicContact CG2-CD1 3.89Å; T600-P700 HydrophobicContact CG2-CB 4.12Å; T600-P700 WeakPolarHBondContact OG1-CB 3.45Å; T600-L701 HydrophobicContact CG2-CD2 3.98Å; T600-L701 HydrophobicContact CG2-CG 3.92Å
601T93.9Very high92.1Very high89 Ų8945.9 Ų45.955%0.54624%0.242SC..Hα-helixtrans-69.2-46.8171.7-59.20000110.8E597 Y598 L599 F603 Y604 S605E597-T601 VanDerWaalsContact O-CB 3.32Å; E597-T601 WeakPolarHBondContact O-CB 3.5Å; E597-T601 PolarHBondContact O-N 2.85Å; E597-T601 VanDerWaalsContact O-N 3.12Å; E597-T601 PolarHBondContact O-OG1 3.25Å; Y598-T601 WeakPolarHBondContact O-CB 3.43Å; Y598-T601 PolarHBondContact O-N 3.49Å; Y598-T601 VanDerWaalsContact O-N 3.12Å; L599-T601 VanDerWaalsContact C-N 3.33Å; T601-F603 VanDerWaalsContact C-N 3.29Å; T601-F603 PolarHBondContact O-N 3.21Å; T601-Y604 PolarHBondContact O-N 2.99Å; T601-Y604 VanDerWaalsContact O-N 3.16Å; T601-S605 PolarHBondContact O-N 3.36Å
602E93.4Very high92Very high39 Ų3946.2 Ų46.218%0.18224%0.242CC..Hα-helixtrans-66.9-29.1179.5-62.8-53.3148.400112.9L565 Y598 L599 Y604 S605 Y608 I616L565-E602 HydrophobicContact CD2-CB 4.29Å; L565-E602 HydrophobicContact CD2-CG 4.49Å; Y598-E602 HydrophobicContact CD2-CG 3.9Å; Y598-E602 HydrophobicContact CE1-CG 4.18Å; Y598-E602 HydrophobicContact CE2-CG 3.33Å; Y598-E602 VanDerWaalsContact CE2-OE1 3.26Å; Y598-E602 WeakPolarHBondContact CE2-OE1 3.35Å; Y598-E602 VanDerWaalsContact CZ-CG 3.46Å; Y598-E602 WeakPolarHBondContact O-CG 3.44Å; Y598-E602 PolarHBondContact O-N 3.42Å; L599-E602 PolarHBondContact O-N 3.32Å; E602-Y604 PolarHBondContact O-N 3.34Å; E602-Y604 VanDerWaalsContact O-N 3.09Å; E602-S605 WeakPolarHBondContact O-CB 3.4Å; E602-S605 PolarHBondContact O-N 2.87Å; E602-Y608 HydrophobicContact CB-CE1 4.47Å; E602-Y608 HydrophobicContact CB-CE2 4.03Å; E602-Y608 HydrophobicContact CG-CE2 4.43Å; E602-Y608 VanDerWaalsContact CG-OH 3.32Å; E602-Y608 WeakPolarHBondContact CG-OH 3.48Å; E602-Y608 WeakPolarHBondContact OE2-CE2 3.09Å; E602-Y608 PolarHBondContact OE2-OH 2.83Å; E602-I616 HydrophobicContact CB-CD1 4.31Å
603F93.8Very high92Very high0 Ų045.4 Ų45.40%024%0.236CC..THydrogen-bonded Turntrans-55.8-26.2172.8176.8-95000113.3L599 T601 R613 I616 L617 L701 F712 L714 V721 L725L599-F603 PolarHBondContact O-N 2.89Å; T601-F603 VanDerWaalsContact C-N 3.29Å; T601-F603 PolarHBondContact O-N 3.21Å; F603-R613 HydrophobicContact CD2-CB 3.98Å; F603-R613 HydrophobicContact CD2-CG 4.38Å; F603-R613 HydrophobicContact CE2-CB 3.98Å; F603-R613 PolarHBondContact O-NH1 2.93Å; F603-I616 HydrophobicContact CB-CD1 4.4Å; F603-I616 HydrophobicContact CB-CG2 4.22Å; F603-L617 HydrophobicContact CD2-CD2 4.11Å; F603-L617 HydrophobicContact CD2-CG 4.15Å; F603-L617 HydrophobicContact CE2-CD1 3.82Å; F603-L617 HydrophobicContact CE2-CD2 3.9Å; F603-L617 HydrophobicContact CE2-CG 3.81Å; F603-L617 HydrophobicContact CZ-CD1 4.39Å; F603-L617 HydrophobicContact CZ-CD2 4.43Å; F603-L701 HydrophobicContact CB-CD2 4.4Å; F603-L701 HydrophobicContact CD1-CD2 3.97Å; F603-L701 HydrophobicContact CE1-CD2 4.49Å; F603-L701 HydrophobicContact CG-CD2 4.1Å; F603-F712 HydrophobicContact CE1-CZ 4.33Å; F603-F712 HydrophobicContact CZ-CZ 4.17Å; F603-L714 HydrophobicContact CE1-CD1 4.39Å; F603-V721 HydrophobicContact CE2-CG1 3.98Å; F603-V721 HydrophobicContact CZ-CG1 3.87Å; F603-L725 HydrophobicContact CE1-CD1 4.13Å; F603-L725 HydrophobicContact CE1-CD2 4.22Å; F603-L725 HydrophobicContact CZ-CD1 4.04Å; F603-L725 HydrophobicContact CZ-CD2 4.28Å
604Y91.4Very high91.9Very high15 Ų1544.8 Ų44.86%0.05923%0.231CC..THydrogen-bonded Turntrans-107.110.7176.1-72.6-72.7000113.2T601 E602 L701 N704 Y705 Q709 F712 L714T601-Y604 PolarHBondContact O-N 2.99Å; T601-Y604 VanDerWaalsContact O-N 3.16Å; E602-Y604 PolarHBondContact O-N 3.34Å; E602-Y604 VanDerWaalsContact O-N 3.09Å; Y604-L701 PolarHBondContact OH-O 3.49Å; Y604-N704 HydrophobicContact CD1-CB 3.84Å; Y604-N704 HydrophobicContact CD2-CB 4.12Å; Y604-N704 HydrophobicContact CE1-CB 3.81Å; Y604-N704 WeakPolarHBondContact CE1-O 3.43Å; Y604-N704 HydrophobicContact CE2-CB 4.1Å; Y604-N704 HydrophobicContact CG-CB 4Å; Y604-Y705 PolarHBondContact OH-N 2.86Å; Y604-Q709 PolarHBondContact O-NE2 3.34Å; Y604-Q709 PolarHBondContact O-OE1 2.91Å; Y604-F712 HydrophobicContact CD1-CE1 4.13Å; Y604-F712 HydrophobicContact CE1-CE1 4.46Å; Y604-L714 HydrophobicContact CE1-CD1 3.8Å
605S90.4Very high91.7Very high39 Ų3943.4 Ų43.427%0.27322%0.221SC..  trans-82.3158-179.9-175.30000111.8T601 E602 R613T601-S605 PolarHBondContact O-N 3.36Å; E602-S605 WeakPolarHBondContact O-CB 3.4Å; E602-S605 PolarHBondContact O-N 2.87Å; S605-R613 VanDerWaalsContact O-CZ 3.3Å; S605-R613 PolarHBondContact O-NH1 3.48Å; S605-R613 PolarHBondContact O-NH2 3.36Å
606M83.1Confident91.7Very high88 Ų8843.4 Ų43.443%0.43322%0.221SC..THydrogen-bonded Turntrans-72.6-33.5-171.7-69.9-74.2175.600113.9Y608 Q709M606-Y608 PolarHBondContact O-N 2.72Å; M606-Q709 HydrophobicContact CE-CB 3.62Å; M606-Q709 HydrophobicContact CE-CG 3.57Å; M606-Q709 HydrophobicContact SD-CB 3.81Å; M606-Q709 HydrophobicContact SD-CG 4.19Å; M606-Q709 PolarHBondContact SD-OE1 2.98Å; M606-Q709 VanDerWaalsContact SD-OE1 3.34Å
607N82.6Confident91.6Very high146 Ų14643.4 Ų43.478%0.78122%0.221SC*.THydrogen-bonded Turntrans-9937.8-165.2-62.4-28.1000113.9
608Y88.2Confident91.5Very high24 Ų2440.5 Ų40.59%0.09421%0.207CC..  trans-123.9137.6-179-72.9-92.6000113.3L565 H566 E602 M606 Q612 R613L565-Y608 HydrophobicContact CD2-CE1 3.66Å; L565-Y608 HydrophobicContact CG-CE1 4.08Å; H566-Y608 AromaticContact CE1-CE1 3.75Å; H566-Y608 AromaticContact CE1-CZ 3.69Å; H566-Y608 PolarHBondContact CE1-OH 3.05Å; H566-Y608 AromaticContact NE2-CE1 3.39Å; H566-Y608 WeakPolarHBondContact NE2-CE1 3.47Å; H566-Y608 AromaticContact NE2-CZ 3.38Å; H566-Y608 PolarHBondContact NE2-OH 3.24Å; H566-Y608 VanDerWaalsContact NE2-OH 3.12Å; E602-Y608 HydrophobicContact CB-CE1 4.47Å; E602-Y608 HydrophobicContact CB-CE2 4.03Å; E602-Y608 HydrophobicContact CG-CE2 4.43Å; E602-Y608 VanDerWaalsContact CG-OH 3.32Å; E602-Y608 WeakPolarHBondContact CG-OH 3.48Å; E602-Y608 WeakPolarHBondContact OE2-CE2 3.09Å; E602-Y608 PolarHBondContact OE2-OH 2.83Å; M606-Y608 PolarHBondContact O-N 2.72Å; Y608-Q612 HydrophobicContact CD1-CB 4Å; Y608-R613 PolarHBondContact O-NE 3.35Å; Y608-R613 PolarHBondContact O-NH2 3.41Å
609S88.9Confident91.5Very high57 Ų5739.6 Ų39.640%0.39920%0.204SC..  trans-69.3154.7172.667.10000111.9R611 Q612 R613S609-R611 PolarHBondContact O-N 3.4Å; S609-Q612 VanDerWaalsContact N-OE1 3.1Å; S609-Q612 PolarHBondContact O-N 2.92Å; S609-Q612 VanDerWaalsContact O-N 3.15Å; S609-Q612 WeakPolarHBondContact OG-CG 3.15Å; S609-Q612 PolarHBondContact OG-N 2.87Å; S609-Q612 PolarHBondContact OG-OE1 3.19Å; S609-R613 PolarHBondContact O-N 2.95Å; S609-R613 VanDerWaalsContact O-N 3.09Å
610I88.9Confident91.5Very high82 Ų8239.6 Ų39.642%0.42120%0.204SC..Hα-helixtrans-54-39.7172.7-68.1170.8000110.6Q612 R613 L614 V721I610-Q612 PolarHBondContact O-N 3.44Å; I610-R613 PolarHBondContact O-N 3.15Å; I610-L614 HydrophobicContact CG2-CD1 4.08Å; I610-L614 HydrophobicContact CG2-CG 4.36Å; I610-L614 VanDerWaalsContact O-CG 3.31Å; I610-L614 WeakPolarHBondContact O-CG 3.28Å; I610-L614 PolarHBondContact O-N 2.87Å; I610-V721 HydrophobicContact CG1-CG2 4.35Å; I610-V721 HydrophobicContact CG2-CG2 3.77Å
611R88.3Confident91.4Very high129 Ų12939.6 Ų39.649%0.48720%0.204SC..Hα-helixtrans-61.1-46.5178.717863.6-156.8-176.57.7112.1S609 R613 L614 D615S609-R611 PolarHBondContact O-N 3.4Å; R611-R613 VanDerWaalsContact C-N 3.33Å; R611-R613 PolarHBondContact O-N 3.3Å; R611-L614 PolarHBondContact O-N 3.45Å; R611-D615 IonicContact CZ-OD1 2.94Å; R611-D615 IonicContact NE-OD1 3.47Å; R611-D615 PolarHBondContact NE-OD1 2.9Å; R611-D615 IonicContact NE-OD2 2.83Å; R611-D615 IonicContact NH2-OD1 3.81Å; R611-D615 PolarHBondContact NH2-OD1 3.35Å; R611-D615 VanDerWaalsContact O-CG 3.29Å; R611-D615 PolarHBondContact O-N 2.87Å
612Q90.9Very high91.4Very high36 Ų3636.9 Ų36.917%0.16819%0.186CC..Hα-helixtrans-64.6-38.1178.2-73.4164.7-51.200111.9L565 Y608 S609 I610 L614 D615 I616L565-Q612 PolarHBondContact O-NE2 3.46Å; Y608-Q612 HydrophobicContact CD1-CB 4Å; S609-Q612 VanDerWaalsContact N-OE1 3.1Å; S609-Q612 PolarHBondContact O-N 2.92Å; S609-Q612 VanDerWaalsContact O-N 3.15Å; S609-Q612 WeakPolarHBondContact OG-CG 3.15Å; S609-Q612 PolarHBondContact OG-N 2.87Å; S609-Q612 PolarHBondContact OG-OE1 3.19Å; I610-Q612 PolarHBondContact O-N 3.44Å; Q612-L614 VanDerWaalsContact C-N 3.31Å; Q612-L614 PolarHBondContact O-N 2.94Å; Q612-D615 WeakPolarHBondContact O-CB 3.48Å; Q612-D615 PolarHBondContact O-N 3.22Å; Q612-I616 VanDerWaalsContact O-CG1 3.32Å; Q612-I616 WeakPolarHBondContact O-CG1 3.46Å; Q612-I616 PolarHBondContact O-N 3.35Å
613R92.7Very high91.5Very high5 Ų535 Ų352%0.01918%0.177CC..Hα-helixtrans-62.4-39.9174.2-65.1-177.5-158.6-91.7-0.3111.9F603 S605 Y608 S609 I610 R611 I616 L617F603-R613 HydrophobicContact CD2-CB 3.98Å; F603-R613 HydrophobicContact CD2-CG 4.38Å; F603-R613 HydrophobicContact CE2-CB 3.98Å; F603-R613 PolarHBondContact O-NH1 2.93Å; S605-R613 VanDerWaalsContact O-CZ 3.3Å; S605-R613 PolarHBondContact O-NH1 3.48Å; S605-R613 PolarHBondContact O-NH2 3.36Å; Y608-R613 PolarHBondContact O-NE 3.35Å; Y608-R613 PolarHBondContact O-NH2 3.41Å; S609-R613 PolarHBondContact O-N 2.95Å; S609-R613 VanDerWaalsContact O-N 3.09Å; I610-R613 PolarHBondContact O-N 3.15Å; R611-R613 VanDerWaalsContact C-N 3.33Å; R611-R613 PolarHBondContact O-N 3.3Å; R613-I616 PolarHBondContact O-N 2.64Å; R613-L617 WeakPolarHBondContact O-CG 3.42Å; R613-L617 PolarHBondContact O-N 2.97Å
614L92.6Very high91.5Very high34 Ų3435 Ų3518%0.17818%0.177CC..Hα-helixtrans-67.7-38.7173.9-65.6177.3000112.1I610 R611 Q612 I616 L617 E618 R724I610-L614 HydrophobicContact CG2-CD1 4.08Å; I610-L614 HydrophobicContact CG2-CG 4.36Å; I610-L614 VanDerWaalsContact O-CG 3.31Å; I610-L614 WeakPolarHBondContact O-CG 3.28Å; I610-L614 PolarHBondContact O-N 2.87Å; R611-L614 PolarHBondContact O-N 3.45Å; Q612-L614 VanDerWaalsContact C-N 3.31Å; Q612-L614 PolarHBondContact O-N 2.94Å; L614-I616 VanDerWaalsContact C-N 3.33Å; L614-I616 PolarHBondContact O-N 3.47Å; L614-L617 PolarHBondContact O-N 3.11Å; L614-E618 WeakPolarHBondContact O-CB 3.41Å; L614-E618 PolarHBondContact O-N 3.01Å; L614-R724 HydrophobicContact CD2-CB 3.68Å; L614-R724 HydrophobicContact CD2-CG 3.67Å
615D91.9Very high91.6Very high11 Ų1135.4 Ų35.46%0.05918%0.179CC..Hα-helixtrans-61.2-41.2174.6-70.4-28.5000111.2R580 R611 Q612 E618 V619R580-D615 IonicContact CZ-OD2 2.69Å; R580-D615 IonicContact NH2-OD2 3.88Å; R580-D615 PolarHBondContact NH2-OD2 3.21Å; R611-D615 IonicContact CZ-OD1 2.94Å; R611-D615 IonicContact NE-OD1 3.47Å; R611-D615 PolarHBondContact NE-OD1 2.9Å; R611-D615 IonicContact NE-OD2 2.83Å; R611-D615 IonicContact NH2-OD1 3.81Å; R611-D615 PolarHBondContact NH2-OD1 3.35Å; R611-D615 VanDerWaalsContact O-CG 3.29Å; R611-D615 PolarHBondContact O-N 2.87Å; Q612-D615 WeakPolarHBondContact O-CB 3.48Å; Q612-D615 PolarHBondContact O-N 3.22Å; D615-E618 PolarHBondContact O-N 3.22Å; D615-V619 WeakPolarHBondContact O-CG2 3.24Å; D615-V619 PolarHBondContact O-N 3.38Å
616I95.6Very high91.6Very high0 Ų035.9 Ų35.90%018%0.177CC..Hα-helixtrans-58.3-51.3174.8-70.5166.2000110.5L565 L599 E602 F603 Q612 R613 L614 E618 V619 L620L565-I616 HydrophobicContact CD1-CD1 4.14Å; L565-I616 HydrophobicContact CD1-CG1 3.67Å; L565-I616 HydrophobicContact CD2-CD1 4.11Å; L565-I616 HydrophobicContact CD2-CG1 4.3Å; L599-I616 HydrophobicContact CB-CG2 4.03Å; L599-I616 HydrophobicContact CD2-CG1 4.28Å; E602-I616 HydrophobicContact CB-CD1 4.31Å; F603-I616 HydrophobicContact CB-CD1 4.4Å; F603-I616 HydrophobicContact CB-CG2 4.22Å; Q612-I616 VanDerWaalsContact O-CG1 3.32Å; Q612-I616 WeakPolarHBondContact O-CG1 3.46Å; Q612-I616 PolarHBondContact O-N 3.35Å; R613-I616 PolarHBondContact O-N 2.64Å; L614-I616 VanDerWaalsContact C-N 3.33Å; L614-I616 PolarHBondContact O-N 3.47Å; I616-E618 VanDerWaalsContact C-N 3.27Å; I616-E618 PolarHBondContact O-N 3.09Å; I616-V619 PolarHBondContact O-N 3.32Å; I616-L620 HydrophobicContact CG2-CD1 3.96Å; I616-L620 HydrophobicContact CG2-CG 4.46Å; I616-L620 VanDerWaalsContact O-CG 3.31Å; I616-L620 WeakPolarHBondContact O-CG 3.37Å; I616-L620 PolarHBondContact O-N 2.88Å
617L95.1Very high91.9Very high1 Ų132 Ų321%0.00516%0.158CC..Hα-helixtrans-60-39.9179.2-66.5178.9000111.6F603 R613 L614 L620 I621 L701 R724 L725 T728F603-L617 HydrophobicContact CD2-CD2 4.11Å; F603-L617 HydrophobicContact CD2-CG 4.15Å; F603-L617 HydrophobicContact CE2-CD1 3.82Å; F603-L617 HydrophobicContact CE2-CD2 3.9Å; F603-L617 HydrophobicContact CE2-CG 3.81Å; F603-L617 HydrophobicContact CZ-CD1 4.39Å; F603-L617 HydrophobicContact CZ-CD2 4.43Å; R613-L617 WeakPolarHBondContact O-CG 3.42Å; R613-L617 PolarHBondContact O-N 2.97Å; L614-L617 PolarHBondContact O-N 3.11Å; L617-L620 PolarHBondContact O-N 3.35Å; L617-I621 WeakPolarHBondContact O-CD1 3.44Å; L617-I621 VanDerWaalsContact O-CG1 3.31Å; L617-I621 WeakPolarHBondContact O-CG1 3.44Å; L617-I621 PolarHBondContact O-N 2.96Å; L617-I621 VanDerWaalsContact O-N 3.13Å; L617-L701 HydrophobicContact CD2-CD1 4.04Å; L617-L701 HydrophobicContact CD2-CD2 4.06Å; L617-R724 HydrophobicContact CD1-CB 4.23Å; L617-L725 HydrophobicContact CD1-CB 4.38Å; L617-L725 HydrophobicContact CD2-CD1 3.92Å; L617-T728 HydrophobicContact CB-CG2 4.3Å; L617-T728 HydrophobicContact CD2-CG2 3.97Å
618E93.4Very high92.2Very high30 Ų3026.5 Ų26.514%0.1413%0.131CC..Hα-helixtrans-67-44.1179.3-162.7176.6173.500112.3Q581 L614 D615 I616 L620 I621 L622 M646Q581-E618 PolarHBondContact NE2-OE1 3.19Å; Q581-E618 PolarHBondContact NE2-OE2 2.87Å; L614-E618 WeakPolarHBondContact O-CB 3.41Å; L614-E618 PolarHBondContact O-N 3.01Å; D615-E618 PolarHBondContact O-N 3.22Å; I616-E618 VanDerWaalsContact C-N 3.27Å; I616-E618 PolarHBondContact O-N 3.09Å; E618-L620 PolarHBondContact O-N 3.36Å; E618-I621 PolarHBondContact O-N 2.94Å; E618-L622 HydrophobicContact CG-CD1 4.11Å; E618-L622 WeakPolarHBondContact O-CB 3.44Å; E618-L622 VanDerWaalsContact O-CG 3.31Å; E618-L622 WeakPolarHBondContact O-CG 3.45Å; E618-L622 PolarHBondContact O-N 2.96Å; E618-M646 HydrophobicContact CG-CG 4.38Å
619V95.8Very high92Very high2 Ų230.4 Ų30.41%0.01215%0.151CC..Hα-helixtrans-62-42.8175.9169.20000111.4Q581 M584 V585 L599 D615 I616 I621 L622 S623Q581-V619 HydrophobicContact CG-CG2 4.25Å; M584-V619 HydrophobicContact CB-CG1 3.88Å; M584-V619 HydrophobicContact CB-CG2 3.93Å; M584-V619 HydrophobicContact CE-CG2 4.26Å; M584-V619 HydrophobicContact SD-CG2 4.26Å; V585-V619 HydrophobicContact CG2-CG1 4.21Å; L599-V619 HydrophobicContact CD1-CG1 4.07Å; D615-V619 WeakPolarHBondContact O-CG2 3.24Å; D615-V619 PolarHBondContact O-N 3.38Å; I616-V619 PolarHBondContact O-N 3.32Å; V619-I621 VanDerWaalsContact C-N 3.32Å; V619-I621 PolarHBondContact O-N 3.1Å; V619-L622 PolarHBondContact O-N 3.45Å; V619-S623 WeakPolarHBondContact O-CB 3.24Å; V619-S623 PolarHBondContact O-N 2.69Å; V619-S623 PolarHBondContact O-OG 3.37Å
620L95.9Very high91.2Very high0 Ų031.2 Ų31.20%015%0.154CC..Hα-helixtrans-61.8-39.5178.1-71.9174.7000112T596 L599 T600 I616 L617 E618 S623 A624 F697 L701T596-L620 HydrophobicContact CG2-CD2 3.87Å; L599-L620 HydrophobicContact CB-CD2 4.35Å; L599-L620 HydrophobicContact CD1-CD2 4.05Å; L599-L620 HydrophobicContact CD1-CG 4.47Å; T600-L620 HydrophobicContact CG2-CD1 3.89Å; I616-L620 HydrophobicContact CG2-CD1 3.96Å; I616-L620 HydrophobicContact CG2-CG 4.46Å; I616-L620 VanDerWaalsContact O-CG 3.31Å; I616-L620 WeakPolarHBondContact O-CG 3.37Å; I616-L620 PolarHBondContact O-N 2.88Å; L617-L620 PolarHBondContact O-N 3.35Å; E618-L620 PolarHBondContact O-N 3.36Å; L620-S623 WeakPolarHBondContact CA-OG 3.47Å; L620-S623 PolarHBondContact O-OG 2.91Å; L620-A624 VanDerWaalsContact O-CB 3.26Å; L620-A624 WeakPolarHBondContact O-CB 3.44Å; L620-A624 PolarHBondContact O-N 3.02Å; L620-F697 HydrophobicContact CB-CD1 4.27Å; L620-F697 HydrophobicContact CD2-CD1 3.81Å; L620-F697 HydrophobicContact CD2-CE1 3.92Å; L620-L701 HydrophobicContact CD1-CD1 4.07Å; L620-L701 HydrophobicContact CD1-CD2 4.42Å
621I93.5Very high90.1Very high5 Ų533 Ų333%0.02616%0.164CC..Hα-helixtrans-69.4-49.9176.7-69.6162.5000111.1L617 E618 V619 S623 A624 Q625 M646 T728 L731L617-I621 WeakPolarHBondContact O-CD1 3.44Å; L617-I621 VanDerWaalsContact O-CG1 3.31Å; L617-I621 WeakPolarHBondContact O-CG1 3.44Å; L617-I621 PolarHBondContact O-N 2.96Å; L617-I621 VanDerWaalsContact O-N 3.13Å; E618-I621 PolarHBondContact O-N 2.94Å; V619-I621 VanDerWaalsContact C-N 3.32Å; V619-I621 PolarHBondContact O-N 3.1Å; I621-S623 VanDerWaalsContact C-N 3.27Å; I621-S623 PolarHBondContact O-N 2.69Å; I621-A624 PolarHBondContact O-N 2.85Å; I621-Q625 HydrophobicContact CG2-CG 4.16Å; I621-Q625 WeakPolarHBondContact O-CB 3.45Å; I621-Q625 VanDerWaalsContact O-CG 3.28Å; I621-Q625 WeakPolarHBondContact O-CG 3.32Å; I621-Q625 PolarHBondContact O-N 3.01Å; I621-M646 HydrophobicContact CD1-CE 3.07Å; I621-T728 HydrophobicContact CD1-CG2 3.58Å; I621-T728 WeakPolarHBondContact CD1-OG1 3.44Å; I621-T728 HydrophobicContact CG1-CG2 3.59Å; I621-L731 HydrophobicContact CD1-CD1 3.79Å; I621-L731 HydrophobicContact CG1-CD1 4.33Å; I621-L731 HydrophobicContact CG2-CD1 3.92Å
622L94.1Very high88.6Confident32 Ų3232.2 Ų32.217%0.16817%0.173CC..Hα-helixtrans-63-37.5-175.9-70.7173000111.4Q581 V585 E618 V619 Q625 E626Q581-L622 HydrophobicContact CG-CD1 3.87Å; V585-L622 HydrophobicContact CG1-CB 4.41Å; V585-L622 HydrophobicContact CG2-CB 3.63Å; V585-L622 HydrophobicContact CG2-CD1 4.26Å; E618-L622 HydrophobicContact CG-CD1 4.11Å; E618-L622 WeakPolarHBondContact O-CB 3.44Å; E618-L622 VanDerWaalsContact O-CG 3.31Å; E618-L622 WeakPolarHBondContact O-CG 3.45Å; E618-L622 PolarHBondContact O-N 2.96Å; V619-L622 PolarHBondContact O-N 3.45Å; L622-Q625 PolarHBondContact O-N 3.1Å; L622-E626 WeakPolarHBondContact O-CB 3.31Å; L622-E626 PolarHBondContact O-N 3.34Å
623S95.2Very high86.2Confident0 Ų038.5 Ų38.50%021%0.208CC..Hα-helixtrans-69.2-42173.754.60000112.7T588 V619 L620 I621 Q625 E626 L627T588-S623 WeakPolarHBondContact CG2-OG 3.36Å; V619-S623 WeakPolarHBondContact O-CB 3.24Å; V619-S623 PolarHBondContact O-N 2.69Å; V619-S623 PolarHBondContact O-OG 3.37Å; L620-S623 WeakPolarHBondContact CA-OG 3.47Å; L620-S623 PolarHBondContact O-OG 2.91Å; I621-S623 VanDerWaalsContact C-N 3.27Å; I621-S623 PolarHBondContact O-N 2.69Å; S623-Q625 VanDerWaalsContact C-N 3.32Å; S623-Q625 PolarHBondContact O-N 3.31Å; S623-E626 PolarHBondContact O-N 3.23Å; S623-L627 WeakPolarHBondContact O-CB 3.22Å; S623-L627 VanDerWaalsContact O-CG 3.31Å; S623-L627 WeakPolarHBondContact O-CG 3.33Å; S623-L627 PolarHBondContact O-N 3.27Å
624A93.8Very high83.5Confident0 Ų047.2 Ų47.20%025%0.246CC..Hα-helixtrans-61.8-39.5172.700000112.1L620 I621 L627 S628 Y690 F697 L732 L735L620-A624 VanDerWaalsContact O-CB 3.26Å; L620-A624 WeakPolarHBondContact O-CB 3.44Å; L620-A624 PolarHBondContact O-N 3.02Å; I621-A624 PolarHBondContact O-N 2.85Å; A624-L627 PolarHBondContact O-N 3.25Å; A624-S628 WeakPolarHBondContact O-CB 3.33Å; A624-S628 PolarHBondContact O-N 3.28Å; A624-S628 PolarHBondContact O-OG 3.2Å; A624-Y690 HydrophobicContact CB-CD2 3.71Å; A624-Y690 HydrophobicContact CB-CE2 3.49Å; A624-Y690 VanDerWaalsContact CB-CE2 3.49Å; A624-Y690 HydrophobicContact CB-CG 4.35Å; A624-F697 HydrophobicContact CB-CD1 4.39Å; A624-F697 HydrophobicContact CB-CE1 4.43Å; A624-L732 HydrophobicContact CB-CD2 3.52Å; A624-L735 HydrophobicContact CB-CD1 3.75Å
625Q92Very high80.8Confident22 Ų2250 Ų5010%0.10328%0.283CS..Hα-helixtrans-62.1-48.1175.1-75.4178.2-3.500110.7I621 L622 S623 L627 S628 Q629 L735I621-Q625 HydrophobicContact CG2-CG 4.16Å; I621-Q625 WeakPolarHBondContact O-CB 3.45Å; I621-Q625 VanDerWaalsContact O-CG 3.28Å; I621-Q625 WeakPolarHBondContact O-CG 3.32Å; I621-Q625 PolarHBondContact O-N 3.01Å; L622-Q625 PolarHBondContact O-N 3.1Å; S623-Q625 VanDerWaalsContact C-N 3.32Å; S623-Q625 PolarHBondContact O-N 3.31Å; Q625-L627 VanDerWaalsContact C-N 3.31Å; Q625-L627 PolarHBondContact O-N 3.37Å; Q625-S628 PolarHBondContact O-N 2.87Å; Q625-S628 VanDerWaalsContact O-N 3.14Å; Q625-S628 PolarHBondContact O-OG 3.23Å; Q625-Q629 WeakPolarHBondContact O-CG 3.31Å; Q625-Q629 PolarHBondContact O-N 3.32Å; Q625-L735 HydrophobicContact CB-CD1 4.41Å; Q625-L735 HydrophobicContact CG-CD1 3.6Å; Q625-L735 HydrophobicContact CG-CD2 3.89Å; Q625-L735 HydrophobicContact CG-CG 4.38Å
626E91.4Very high77.9Confident50 Ų5051.7 Ų51.723%0.23430%0.303CS..Hα-helixtrans-60.7-40.2177.1-167.2-176.4137.200112.1R547 V589 L622 S623 S628 Q629R547-E626 IonicContact CZ-OE1 3.71Å; R547-E626 IonicContact CZ-OE2 2.95Å; R547-E626 IonicContact NH1-OE1 3.46Å; R547-E626 PolarHBondContact NH1-OE1 3.11Å; R547-E626 IonicContact NH1-OE2 3.01Å; R547-E626 IonicContact NH2-OE1 2.7Å; R547-E626 PolarHBondContact NH2-OE1 3.19Å; R547-E626 IonicContact NH2-OE2 2.87Å; R547-E626 PolarHBondContact NH2-OE2 2.6Å; V589-E626 HydrophobicContact CG2-CB 3.98Å; V589-E626 HydrophobicContact CG2-CG 4.22Å; L622-E626 WeakPolarHBondContact O-CB 3.31Å; L622-E626 PolarHBondContact O-N 3.34Å; S623-E626 PolarHBondContact O-N 3.23Å; E626-S628 VanDerWaalsContact C-N 3.33Å; E626-S628 PolarHBondContact O-N 3.07Å; E626-Q629 PolarHBondContact O-N 3.45Å
627L89.9Confident74.9Confident6 Ų657.9 Ų57.93%0.03134%0.343CS..Hα-helixtrans-69-29176.1-72.4170.4000113.2V589 S623 A624 Q625 R689 Y690 V693 F697V589-L627 HydrophobicContact CG1-CD2 3.88Å; V589-L627 HydrophobicContact CG1-CG 4.37Å; V589-L627 HydrophobicContact CG2-CG 4.26Å; S623-L627 WeakPolarHBondContact O-CB 3.22Å; S623-L627 VanDerWaalsContact O-CG 3.31Å; S623-L627 WeakPolarHBondContact O-CG 3.33Å; S623-L627 PolarHBondContact O-N 3.27Å; A624-L627 PolarHBondContact O-N 3.25Å; Q625-L627 VanDerWaalsContact C-N 3.31Å; Q625-L627 PolarHBondContact O-N 3.37Å; L627-R689 HydrophobicContact CB-CB 4.47Å; L627-R689 HydrophobicContact CD2-CB 4.13Å; L627-R689 VanDerWaalsContact O-CB 3.31Å; L627-R689 WeakPolarHBondContact O-CB 3.45Å; L627-R689 PolarHBondContact O-N 3.33Å; L627-R689 VanDerWaalsContact O-N 3.13Å; L627-Y690 HydrophobicContact CD1-CD2 4.43Å; L627-Y690 PolarHBondContact O-N 2.9Å; L627-V693 HydrophobicContact CD1-CG2 4.22Å; L627-F697 HydrophobicContact CD1-CZ 4.22Å
628S87.6Confident72.1Confident31 Ų3162.3 Ų62.322%0.21737%0.374CS..Hα-helixtrans-79.1-20.4179.375.70000114.1A624 Q625 E626 N688 L735A624-S628 WeakPolarHBondContact O-CB 3.33Å; A624-S628 PolarHBondContact O-N 3.28Å; A624-S628 PolarHBondContact O-OG 3.2Å; Q625-S628 PolarHBondContact O-N 2.87Å; Q625-S628 VanDerWaalsContact O-N 3.14Å; Q625-S628 PolarHBondContact O-OG 3.23Å; E626-S628 VanDerWaalsContact C-N 3.33Å; E626-S628 PolarHBondContact O-N 3.07Å; S628-N688 WeakPolarHBondContact CA-OD1 3.35Å; S628-L735 WeakPolarHBondContact OG-CD2 3.09Å
629Q84.2Confident69Low106 Ų10670.6 Ų70.650%0.49541%0.409SS..SBendtrans-75.4144.6-175-77.917912.800112.9Q625 E626 I631Q625-Q629 WeakPolarHBondContact O-CG 3.31Å; Q625-Q629 PolarHBondContact O-N 3.32Å; E626-Q629 PolarHBondContact O-N 3.45Å; Q629-I631 PolarHBondContact O-N 3.06Å
630P71.7Confident65.9Low74 Ų7475 Ų7548%0.48145%0.447SS..  trans-63.6130.2174.325.9-33.8000110.9T632 T686P630-T632 PolarHBondContact O-N 2.87Å; P630-T632 VanDerWaalsContact O-N 3.08Å; P630-T686 WeakPolarHBondContact CA-OG1 3.42Å; P630-T686 HydrophobicContact CB-CG2 3.9Å; P630-T686 WeakPolarHBondContact CB-OG1 3.4Å
631I65.8Low62.9Low120 Ų12080.1 Ų80.162%0.61547%0.473SS*.  trans-64.8111.5175.2-56.7171.5000108.6Q629Q629-I631 PolarHBondContact O-N 3.06Å
632T57.1Low59.9Low111 Ų11188.6 Ų88.668%0.68151%0.512SS*.  trans-93.6123.3169.859.40000109.8P630 K634P630-T632 PolarHBondContact O-N 2.87Å; P630-T632 VanDerWaalsContact O-N 3.08Å; T632-K634 PolarHBondContact O-N 3.37Å
633D40.5Very low56.9Low168 Ų16894.9 Ų94.990%0.89853%0.534SS*.SBendtrans-61.718.9-175.4-98-19.1000116.9
634K37.3Very low54Low188 Ų18899 Ų9982%0.81756%0.559SS**  trans-113.195.9172.9-69-170.9178.2-175.60109.5T632 G636T632-K634 PolarHBondContact O-N 3.37Å; K634-G636 PolarHBondContact O-N 3.49Å
635G35.7Very low50.9Low94 Ų94101.1 Ų101.197%0.96957%0.572SS**  trans-66.658.9171.700000114
636G29.7Very low48.2Very low45 Ų45101.5 Ų101.546%0.46457%0.574SS.*SBendtrans-97.1159.5159.500000109.9K634 S638K634-G636 PolarHBondContact O-N 3.49Å; G636-S638 PolarHBondContact O-N 2.9Å
637P33.3Very low45.5Very low130 Ų130104.9 Ų104.984%0.84459%0.593SS**SBendtrans-52.6121.3167.624.6-31.7000106.9K639P637-K639 PolarHBondContact O-N 2.82Å
638S35.6Very low43Very low94 Ų94109.2 Ų109.266%0.65762%0.621SS**  trans-42.7114.1-176.6-69.30000108.9G636 A640G636-S638 PolarHBondContact O-N 2.9Å; S638-A640 PolarHBondContact O-N 3.13Å
639K29.2Very low40.4Very low204 Ų204111.6 Ų111.689%0.88764%0.635SS**SBendtrans-41.6119.5173.6-85.4178.7172.4-179.40107.2P637 I641P637-K639 PolarHBondContact O-N 2.82Å; K639-I641 PolarHBondContact O-N 2.9Å
640A29.6Very low38.2Very low96 Ų96107.4 Ų107.479%0.79362%0.616SS**  trans-1.192.4174.500000111.6S638 Q642S638-A640 PolarHBondContact O-N 3.13Å; A640-Q642 PolarHBondContact O-N 3.33Å
641I34.5Very low36.5Very low106 Ų106110.6 Ų110.654%0.54462%0.619SS.*  trans-44.3114.9166.1-58.9169.9000103.8K639 R643K639-I641 PolarHBondContact O-N 2.9Å; I641-R643 PolarHBondContact O-N 2.92Å
642Q28.8Very low35.2Very low184 Ų184109.7 Ų109.786%0.8662%0.622SS**  trans-58.292154.2-85-176.1-11.200102.5A640 V644A640-Q642 PolarHBondContact O-N 3.33Å; Q642-V644 VanDerWaalsContact C-N 3.32Å; Q642-V644 PolarHBondContact O-N 3.34Å
643R31Very low34.1Very low163 Ų163107.2 Ų107.262%0.61562%0.618SS**  trans-51.5111.2177.1-73.5176.1172.5157.7-2.8102.3I641 T645I641-R643 PolarHBondContact O-N 2.92Å; R643-T645 HydrophobicContact CB-CG2 4.1Å; R643-T645 WeakPolarHBondContact CB-OG1 3.4Å; R643-T645 PolarHBondContact O-N 2.88Å; R643-T645 PolarHBondContact O-OG1 3.42Å
644V34.3Very low33.9Very low88 Ų88107.1 Ų107.153%0.53362%0.617SS.*  trans-68.364.4146.9-1750000103.5Q642 M646Q642-V644 VanDerWaalsContact C-N 3.32Å; Q642-V644 PolarHBondContact O-N 3.34Å; V644-M646 PolarHBondContact O-N 3.47Å
645T29.2Very low33.8Very low43 Ų43103.6 Ų103.626%0.26461%0.607SS.*  trans-57.7140.5170.1-6.30000103.1R643 N647 T648R643-T645 HydrophobicContact CB-CG2 4.1Å; R643-T645 WeakPolarHBondContact CB-OG1 3.4Å; R643-T645 PolarHBondContact O-N 2.88Å; R643-T645 PolarHBondContact O-OG1 3.42Å; T645-N647 HydrophobicContact CG2-CB 4.41Å; T645-N647 PolarHBondContact O-N 3Å; T645-T648 PolarHBondContact O-N 3.27Å
646M36.6Very low34.1Very low30 Ų30104.2 Ų104.215%0.14859%0.594CS.*SBendtrans-52.514.1158.8-84.2-93.3-176.700114E618 I621 V644 R724E618-M646 HydrophobicContact CG-CG 4.38Å; I621-M646 HydrophobicContact CD1-CE 3.07Å; V644-M646 PolarHBondContact O-N 3.47Å; M646-R724 PolarHBondContact O-NH1 3.05Å; M646-R724 PolarHBondContact SD-NH1 2.7Å
647N33.8Very low34.9Very low121 Ų121105.9 Ų105.965%0.64759%0.592SS**  trans-92.223.5171.5-5914.1000112.3T645 P649T645-N647 HydrophobicContact CG2-CB 4.41Å; T645-N647 PolarHBondContact O-N 3Å; N647-P649 VanDerWaalsContact C-N 3.31Å; N647-P649 WeakPolarHBondContact O-CD 3.46Å; N647-P649 VanDerWaalsContact O-N 3.14Å
648T37Very low35.5Very low98 Ų98106.4 Ų106.460%0.60158%0.582SS**SBendtrans-63108.8141.9-51.20000104T645 L650T645-T648 PolarHBondContact O-N 3.27Å; T648-L650 PolarHBondContact O-N 3.08Å
649P33.7Very low36.1Very low81 Ų81109.2 Ų109.253%0.52658%0.579SS.*  trans-64.9108.2-176.2-11.628000105.5N647 Y651N647-P649 VanDerWaalsContact C-N 3.31Å; N647-P649 WeakPolarHBondContact O-CD 3.46Å; N647-P649 VanDerWaalsContact O-N 3.14Å; P649-Y651 WeakPolarHBondContact CB-O 3.32Å; P649-Y651 PolarHBondContact O-N 2.87Å
650L37.9Very low37.1Very low17 Ų17107.1 Ų107.19%0.08957%0.565CS.*SBendtrans-65.9-15.7165.5-81.6146.8000109.7T648 M763 R766T648-L650 PolarHBondContact O-N 3.08Å; L650-M763 VanDerWaalsContact C-SD 3.55Å; L650-M763 HydrophobicContact CB-CE 3.07Å; L650-M763 HydrophobicContact CB-SD 3.53Å; L650-M763 VanDerWaalsContact CB-SD 3.53Å; L650-M763 HydrophobicContact CD1-CE 4.34Å; L650-M763 HydrophobicContact CD2-CB 4.34Å; L650-M763 HydrophobicContact CD2-CE 4.4Å; L650-M763 HydrophobicContact CD2-SD 4.25Å; L650-M763 HydrophobicContact CG-CE 4.12Å; L650-M763 HydrophobicContact CG-SD 4.49Å; L650-R766 HydrophobicContact CD2-CB 4.24Å; L650-R766 PolarHBondContact O-NH1 2.98Å
651Y35.2Very low38.3Very low141 Ų141107.2 Ų107.255%0.55355%0.549SS*.SBendtrans-98.4114.6168.5-65.3-82.1000111.8P649 G653 M763P649-Y651 WeakPolarHBondContact CB-O 3.32Å; P649-Y651 PolarHBondContact O-N 2.87Å; Y651-G653 PolarHBondContact O-N 3.22Å; Y651-M763 HydrophobicContact CD1-CE 4.48Å; Y651-M763 HydrophobicContact CD2-CE 3.88Å; Y651-M763 HydrophobicContact CE1-CE 4.19Å; Y651-M763 HydrophobicContact CE2-CE 3.54Å; Y651-M763 HydrophobicContact CG-CE 4.33Å
652P39Very low39.5Very low102 Ų102104.4 Ų104.466%0.66254%0.537SS*.  trans-7992.2159.726.4-18.2000108
653G34.8Very low41Very low58 Ų5898.5 Ų98.560%0.59851%0.514SS*.SBendtrans-164.9100.7176.100000110.1Y651Y651-G653 PolarHBondContact O-N 3.22Å
654D35.9Very low42.4Very low167 Ų16796.2 Ų96.289%0.89351%0.51SS*.  trans64.787.5170.3-63.1-22.3000118.2
655D34.6Very low43.8Very low114 Ų11499.3 Ų99.361%0.6151%0.512SS*.  trans-137.6126154.3-125.2-11.3000110.6I657D655-I657 PolarHBondContact O-N 3.09Å
656P43.2Very low45.3Very low106 Ų106105.4 Ų105.469%0.68853%0.53SS*.THydrogen-bonded Turntrans-7114.3-17426.4-32.4000115.2W659P656-W659 VanDerWaalsContact O-CD1 3.23Å; P656-W659 PolarHBondContact O-NE1 2.87Å
657I45.9Very low46.5Very low81 Ų81108.5 Ų108.542%0.41555%0.546SS..THydrogen-bonded Turntrans-95.9-12.3-170.8-57.8171.1000112.6D655 W659 R660 Q661D655-I657 PolarHBondContact O-N 3.09Å; I657-W659 VanDerWaalsContact C-N 3.34Å; I657-W659 PolarHBondContact O-N 3.4Å; I657-R660 PolarHBondContact O-N 3.16Å; I657-Q661 HydrophobicContact CG2-CG 4.37Å; I657-Q661 PolarHBondContact O-N 3.32Å
658H46Very low47.8Very low140 Ų140108.9 Ų108.965%0.64854%0.544SS*.Hα-helixtrans-60.3-37.1-174.6-166.7-89.7000113.6V662H658-V662 VanDerWaalsContact O-CG2 3.25Å; H658-V662 WeakPolarHBondContact O-CG2 3.38Å; H658-V662 PolarHBondContact O-N 2.61Å
659W48.3Very low49.2Very low154 Ų154108.9 Ų108.958%0.58355%0.548SS*.Hα-helixtrans-71.4-34179.874.6-90.9000112.7P656 I657 V662 V663P656-W659 VanDerWaalsContact O-CD1 3.23Å; P656-W659 PolarHBondContact O-NE1 2.87Å; I657-W659 VanDerWaalsContact C-N 3.34Å; I657-W659 PolarHBondContact O-N 3.4Å; W659-V662 PolarHBondContact O-N 3.28Å; W659-V663 HydrophobicContact CE3-CG2 3.94Å; W659-V663 HydrophobicContact CZ3-CG2 4.38Å; W659-V663 WeakPolarHBondContact O-CB 3.46Å; W659-V663 WeakPolarHBondContact O-CG2 3.44Å; W659-V663 PolarHBondContact O-N 3.38Å
660R50.3Low50.2Low160 Ų160113.6 Ų113.660%0.60456%0.56SS**Hα-helixtrans-66.6-43.9178.8-75.6-174.1177.7168.8-0.5111.4I657 V662 V663 E664I657-R660 PolarHBondContact O-N 3.16Å; R660-V662 VanDerWaalsContact C-N 3.35Å; R660-V662 PolarHBondContact O-N 3.27Å; R660-V663 PolarHBondContact O-N 3.01Å; R660-E664 VanDerWaalsContact O-CB 3.24Å; R660-E664 WeakPolarHBondContact O-CB 3.32Å; R660-E664 PolarHBondContact O-N 2.7Å
661Q55.3Low50.8Low98 Ų98115.9 Ų115.946%0.45858%0.575SS.*Hα-helixtrans-65.6-36.9176.8-67.1-177.72.200112.6I657 R665I657-Q661 HydrophobicContact CG2-CG 4.37Å; I657-Q661 PolarHBondContact O-N 3.32Å; Q661-R665 WeakPolarHBondContact O-CB 3.48Å; Q661-R665 WeakPolarHBondContact O-CG 3.3Å; Q661-R665 PolarHBondContact O-N 2.94Å
662V58.6Low51.6Low47 Ų47119 Ų11929%0.28559%0.591SS.*Hα-helixtrans-68-40.6174.7172.60000111.2H658 W659 R660 R666H658-V662 VanDerWaalsContact O-CG2 3.25Å; H658-V662 WeakPolarHBondContact O-CG2 3.38Å; H658-V662 PolarHBondContact O-N 2.61Å; W659-V662 PolarHBondContact O-N 3.28Å; R660-V662 VanDerWaalsContact C-N 3.35Å; R660-V662 PolarHBondContact O-N 3.27Å; V662-R666 WeakPolarHBondContact O-CB 3.5Å; V662-R666 PolarHBondContact O-N 3.37Å
663V59.6Low52.2Low60 Ų60124.2 Ų124.236%0.36460%0.598SS.*Hα-helixtrans-66.2-41.8175.2167.60000110.9W659 R660 R666 I667W659-V663 HydrophobicContact CE3-CG2 3.94Å; W659-V663 HydrophobicContact CZ3-CG2 4.38Å; W659-V663 WeakPolarHBondContact O-CB 3.46Å; W659-V663 WeakPolarHBondContact O-CG2 3.44Å; W659-V663 PolarHBondContact O-N 3.38Å; R660-V663 PolarHBondContact O-N 3.01Å; V663-R666 CarbonylContact O-C 3.56Å; V663-R666 WeakPolarHBondContact O-CB 3.3Å; V663-R666 PolarHBondContact O-N 3.41Å; V663-R666 VanDerWaalsContact O-N 3.16Å; V663-I667 HydrophobicContact CG1-CD1 3.68Å; V663-I667 HydrophobicContact CG1-CG1 4.35Å; V663-I667 VanDerWaalsContact O-CG1 3.23Å; V663-I667 WeakPolarHBondContact O-CG1 3.49Å; V663-I667 PolarHBondContact O-N 2.95Å
664E60.5Low52.9Low114 Ų114130.1 Ų130.153%0.53361%0.614SS.*Hα-helixtrans-70.9-37.3-179.4-160.5142.4-147.400112.1R660 I667 Q668R660-E664 VanDerWaalsContact O-CB 3.24Å; R660-E664 WeakPolarHBondContact O-CB 3.32Å; R660-E664 PolarHBondContact O-N 2.7Å; E664-I667 PolarHBondContact O-N 3.06Å; E664-Q668 WeakPolarHBondContact O-CB 3.32Å; E664-Q668 VanDerWaalsContact O-CG 3.26Å; E664-Q668 WeakPolarHBondContact O-CG 3.46Å; E664-Q668 PolarHBondContact O-N 3.47Å
665R65.1Low53.4Low153 Ų153127.1 Ų127.158%0.57761%0.607SS**Hα-helixtrans-63.8-36.8167.4-77.1-172.9-143.8126.97.9112.6Q661 S669Q661-R665 WeakPolarHBondContact O-CB 3.48Å; Q661-R665 WeakPolarHBondContact O-CG 3.3Å; Q661-R665 PolarHBondContact O-N 2.94Å; R665-S669 WeakPolarHBondContact O-CB 3.3Å; R665-S669 PolarHBondContact O-N 3.32Å; R665-S669 PolarHBondContact O-OG 3.29Å
666R60.6Low53.7Low171 Ų171131.2 Ų131.265%0.64562%0.619SS**Hα-helixtrans-67-37.5173.1-88.5-178.6-178.9172.92.5112.3V662 V663 S669 K670V662-R666 WeakPolarHBondContact O-CB 3.5Å; V662-R666 PolarHBondContact O-N 3.37Å; V663-R666 CarbonylContact O-C 3.56Å; V663-R666 WeakPolarHBondContact O-CB 3.3Å; V663-R666 PolarHBondContact O-N 3.41Å; V663-R666 VanDerWaalsContact O-N 3.16Å; R666-S669 WeakPolarHBondContact CA-OG 3.07Å; R666-S669 PolarHBondContact O-OG 2.71Å; R666-K670 WeakPolarHBondContact O-CB 3.24Å; R666-K670 WeakPolarHBondContact O-CG 3.31Å; R666-K670 PolarHBondContact O-N 3.47Å
667I61.5Low53.6Low96 Ų96129.6 Ų129.649%0.49262%0.621SS.*Hα-helixtrans-67.7-47.1175.2-69164.7000109.4V663 E664 S669 K670 T671V663-I667 HydrophobicContact CG1-CD1 3.68Å; V663-I667 HydrophobicContact CG1-CG1 4.35Å; V663-I667 VanDerWaalsContact O-CG1 3.23Å; V663-I667 WeakPolarHBondContact O-CG1 3.49Å; V663-I667 PolarHBondContact O-N 2.95Å; E664-I667 PolarHBondContact O-N 3.06Å; I667-S669 PolarHBondContact O-N 2.98Å; I667-K670 PolarHBondContact O-N 3.22Å; I667-T671 VanDerWaalsContact O-CB 3.32Å; I667-T671 WeakPolarHBondContact O-CB 3.48Å; I667-T671 PolarHBondContact O-N 3.02Å; I667-T671 PolarHBondContact O-OG1 2.94Å
668Q61.3Low53.3Low129 Ų129131 Ų13160%0.60363%0.634SS**Hα-helixtrans-63.4-42.8179.2-73175.79.100112.8E664 K670 T671E664-Q668 WeakPolarHBondContact O-CB 3.32Å; E664-Q668 VanDerWaalsContact O-CG 3.26Å; E664-Q668 WeakPolarHBondContact O-CG 3.46Å; E664-Q668 PolarHBondContact O-N 3.47Å; Q668-K670 VanDerWaalsContact C-N 3.28Å; Q668-K670 PolarHBondContact O-N 3.44Å; Q668-T671 PolarHBondContact O-N 3.23Å
669S64.8Low53.2Low97 Ų97130.8 Ų130.868%0.67864%0.642SS**Hα-helixtrans-68.5-23.1177.452.40000114R665 R666 I667R665-S669 WeakPolarHBondContact O-CB 3.3Å; R665-S669 PolarHBondContact O-N 3.32Å; R665-S669 PolarHBondContact O-OG 3.29Å; R666-S669 WeakPolarHBondContact CA-OG 3.07Å; R666-S669 PolarHBondContact O-OG 2.71Å; I667-S669 PolarHBondContact O-N 2.98Å
670K55.5Low53.2Low181 Ų181131 Ų13179%0.78765%0.649SS**Hα-helixtrans-98.6-8.1176.6-68.6-173.5176.6-172.20114.2R666 I667 Q668R666-K670 WeakPolarHBondContact O-CB 3.24Å; R666-K670 WeakPolarHBondContact O-CG 3.31Å; R666-K670 PolarHBondContact O-N 3.47Å; I667-K670 PolarHBondContact O-N 3.22Å; Q668-K670 VanDerWaalsContact C-N 3.28Å; Q668-K670 PolarHBondContact O-N 3.44Å
671T50.8Low53.2Low64 Ų64128.5 Ų128.539%0.39365%0.654SS.*  trans-96.5101.7-179.8-51.90000110I667 Q668 R673I667-T671 VanDerWaalsContact O-CB 3.32Å; I667-T671 WeakPolarHBondContact O-CB 3.48Å; I667-T671 PolarHBondContact O-N 3.02Å; I667-T671 PolarHBondContact O-OG1 2.94Å; Q668-T671 PolarHBondContact O-N 3.23Å; T671-R673 HydrophobicContact CG2-CG 4.12Å; T671-R673 PolarHBondContact O-N 2.92Å
672K50.8Low53.1Low207 Ų207129.8 Ų129.890%0.967%0.671SS**  trans-70.999.1175.2-135.5-178.1-173.4-177.40109.3
673R52.2Low53.1Low212 Ų212132.1 Ų132.180%0.870%0.695SS**  trans-92.4112.4175.7-69.2-171.3-178.1-160.61.4110.4T671 S675T671-R673 HydrophobicContact CG2-CG 4.12Å; T671-R673 PolarHBondContact O-N 2.92Å; R673-S675 PolarHBondContact O-N 3.17Å
674L50.8Low53.4Low181 Ų181138.3 Ų138.395%0.94872%0.717SS**  trans-81.785.8165-79.3151.4000108.3
675S45Very low53.7Low104 Ų104139.2 Ų139.273%0.72773%0.733SS**PPolyproline II helixtrans-90.8116.5168.954.90000109.7R673 G677R673-S675 PolarHBondContact O-N 3.17Å; S675-G677 PolarHBondContact O-N 3.06Å
676K41Very low54.1Low201 Ų201135.1 Ų135.187%0.87473%0.725SS**PPolyproline II helixtrans-59.9123.2158.7-95.1179.5173.1178.70107.3V678K676-V678 PolarHBondContact O-N 3.3Å; K676-V678 VanDerWaalsContact O-N 3.15Å
677G42.6Very low55.1Low71 Ų71132.4 Ų132.473%0.73273%0.729SS**PPolyproline II helixtrans-54.8118-17900000111S675 T679S675-G677 PolarHBondContact O-N 3.06Å; G677-T679 PolarHBondContact O-N 3.49Å
678V37.9Very low56.3Low112 Ų112129.7 Ų129.768%0.67972%0.716SS**  trans-78.9106.9165.3177.40000105.7K676 H680K676-V678 PolarHBondContact O-N 3.3Å; K676-V678 VanDerWaalsContact O-N 3.15Å; V678-H680 VanDerWaalsContact C-N 3.25Å; V678-H680 PolarHBondContact O-N 2.96Å
679T45.4Very low57.7Low134 Ų134128.6 Ų128.682%0.82271%0.706SS**  trans-65.689.7166.444.80000107.8G677G677-T679 PolarHBondContact O-N 3.49Å
680H46.6Very low59.1Low159 Ų159124 Ų12474%0.73667%0.674SS**PPolyproline II helixtrans-64.7127.6163.9-79.4-77.1000107.6V678V678-H680 VanDerWaalsContact C-N 3.25Å; V678-H680 PolarHBondContact O-N 2.96Å
681P50.5Low60.8Low108 Ų108116.2 Ų116.270%0.70164%0.643SS**PPolyproline II helixtrans-58.6144.3172.123.7-31000109.2A683P681-A683 PolarHBondContact O-N 3.34Å
682P53.3Low62.8Low125 Ų125118 Ų11881%0.81266%0.656SS**PPolyproline II helixtrans-55.5129.9-179.522.3-32.2000109.8K684P682-K684 PolarHBondContact O-N 3.49Å
683A59.6Low64.9Low95 Ų95109.1 Ų109.179%0.78562%0.619SS**PPolyproline II helixtrans-57.5129.9179.900000109.4P681P681-A683 PolarHBondContact O-N 3.34Å
684K65.4Low66.9Low190 Ų19099 Ų9983%0.82658%0.581SS**PPolyproline II helixtrans-60.6126175.8-72-177.8178.8-179.90108.4P682 T686P682-K684 PolarHBondContact O-N 3.49Å; K684-T686 PolarHBondContact O-N 2.68Å
685P66.3Low68.9Low134 Ų13491.2 Ų91.287%0.8754%0.544SS*.PPolyproline II helixtrans-64.4123.6178.425.8-32.6000109.4
686T75.1Confident71.3Confident66 Ų6689.6 Ų89.641%0.40553%0.525SS..  trans-108.4144.3175.954.80000110.3P630 K684 N688P630-T686 WeakPolarHBondContact CA-OG1 3.42Å; P630-T686 HydrophobicContact CB-CG2 3.9Å; P630-T686 WeakPolarHBondContact CB-OG1 3.4Å; K684-T686 PolarHBondContact O-N 2.68Å; T686-N688 PolarHBondContact O-N 3.47Å
687P80.1Confident73.9Confident114 Ų11480 Ų8074%0.7448%0.484SS*.  trans-65.6133.5177.627.6-33.9000111.3R689P687-R689 PolarHBondContact O-N 2.82Å
688N88.1Confident76.5Confident40 Ų4076.7 Ų76.721%0.21445%0.449CS..  trans-72.5111173.2-178.6-9.3000109.3S628 T686 Y690 A691 L735S628-N688 WeakPolarHBondContact CA-OD1 3.35Å; T686-N688 PolarHBondContact O-N 3.47Å; N688-Y690 PolarHBondContact O-N 3.06Å; N688-Y690 WeakPolarHBondContact OD1-CA 3.46Å; N688-Y690 VanDerWaalsContact OD1-CB 3.24Å; N688-Y690 WeakPolarHBondContact OD1-CB 3.39Å; N688-Y690 PolarHBondContact OD1-N 3.23Å; N688-A691 HydrophobicContact CB-CB 4.14Å; N688-A691 WeakPolarHBondContact O-CB 3.22Å; N688-A691 PolarHBondContact O-N 2.58Å; N688-A691 PolarHBondContact OD1-N 3.32Å; N688-L735 PolarHBondContact ND2-O 2.93Å
689R91Very high79.2Confident106 Ų10674.1 Ų74.140%0.443%0.429SS..SBendtrans-74.2-17.7-179.1-61.2162.655.6-154.9-3.3112.6L627 P687 P692L627-R689 HydrophobicContact CB-CB 4.47Å; L627-R689 HydrophobicContact CD2-CB 4.13Å; L627-R689 VanDerWaalsContact O-CB 3.31Å; L627-R689 WeakPolarHBondContact O-CB 3.45Å; L627-R689 PolarHBondContact O-N 3.33Å; L627-R689 VanDerWaalsContact O-N 3.13Å; P687-R689 PolarHBondContact O-N 2.82Å; R689-P692 WeakPolarHBondContact O-CD 3.15Å; R689-P692 WeakPolarHBondContact O-CG 3.49Å
690Y93.6Very high81.6Confident0 Ų069.7 Ų69.70%040%0.402CS..SBendtrans-75.2-33.1174.6177.4-113.1000112A624 L627 N688 V693 A694 F697 L732 L735 A736A624-Y690 HydrophobicContact CB-CD2 3.71Å; A624-Y690 HydrophobicContact CB-CE2 3.49Å; A624-Y690 VanDerWaalsContact CB-CE2 3.49Å; A624-Y690 HydrophobicContact CB-CG 4.35Å; L627-Y690 HydrophobicContact CD1-CD2 4.43Å; L627-Y690 PolarHBondContact O-N 2.9Å; N688-Y690 PolarHBondContact O-N 3.06Å; N688-Y690 WeakPolarHBondContact OD1-CA 3.46Å; N688-Y690 VanDerWaalsContact OD1-CB 3.24Å; N688-Y690 WeakPolarHBondContact OD1-CB 3.39Å; N688-Y690 PolarHBondContact OD1-N 3.23Å; Y690-V693 HydrophobicContact CD2-CG2 4.19Å; Y690-V693 CarbonylContact O-C 3.55Å; Y690-V693 VanDerWaalsContact O-CG2 3.29Å; Y690-V693 WeakPolarHBondContact O-CG2 3.36Å; Y690-V693 PolarHBondContact O-N 2.87Å; Y690-A694 HydrophobicContact CD1-CB 3.93Å; Y690-A694 HydrophobicContact CE1-CB 3.46Å; Y690-A694 VanDerWaalsContact CE1-CB 3.46Å; Y690-A694 HydrophobicContact CE2-CB 4.17Å; Y690-A694 HydrophobicContact CG-CB 4.47Å; Y690-A694 PolarHBondContact O-N 3.12Å; Y690-F697 HydrophobicContact CD2-CD2 4.44Å; Y690-F697 HydrophobicContact CE2-CB 4.04Å; Y690-F697 HydrophobicContact CE2-CD1 4.15Å; Y690-F697 AromaticContact CE2-CD2 3.74Å; Y690-F697 HydrophobicContact CE2-CD2 3.74Å; Y690-F697 HydrophobicContact CE2-CE2 4.2Å; Y690-F697 AromaticContact CE2-CG 3.72Å; Y690-F697 HydrophobicContact CE2-CG 3.72Å; Y690-L732 WeakPolarHBondContact CE1-O 3.43Å; Y690-L732 HydrophobicContact CE2-CD2 4.43Å; Y690-L732 WeakPolarHBondContact OH-CD2 3.09Å; Y690-L735 HydrophobicContact CD1-CB 3.95Å; Y690-L735 HydrophobicContact CE1-CB 3.98Å; Y690-A736 HydrophobicContact CD1-CB 4.47Å; Y690-A736 HydrophobicContact CE1-CB 4.01Å
691A91.4Very high83.9Confident17 Ų1762.1 Ų62.114%0.1437%0.367CS..THydrogen-bonded Turntrans-47.7-46.6-177.200000115.8N688 V693 A739N688-A691 HydrophobicContact CB-CB 4.14Å; N688-A691 WeakPolarHBondContact O-CB 3.22Å; N688-A691 PolarHBondContact O-N 2.58Å; N688-A691 PolarHBondContact OD1-N 3.32Å; A691-V693 VanDerWaalsContact C-N 3.29Å; A691-V693 PolarHBondContact O-N 2.86Å; A691-A739 HydrophobicContact CB-CB 3.68Å
692P92.4Very high85.9Confident103 Ų10358 Ų5867%0.66934%0.339SS*.THydrogen-bonded Turntrans-71-20.2178.927.4-36.4000114.4R689R689-P692 WeakPolarHBondContact O-CD 3.15Å; R689-P692 WeakPolarHBondContact O-CG 3.49Å
693V94.1Very high87.5Confident19 Ų1961 Ų6112%0.11533%0.334CS..THydrogen-bonded Turntrans-110.5-5.3-175.6-62.80000113.2V593 L627 Y690 A691 G695 H696 F697V593-V693 HydrophobicContact CG2-CG1 4.29Å; L627-V693 HydrophobicContact CD1-CG2 4.22Å; Y690-V693 HydrophobicContact CD2-CG2 4.19Å; Y690-V693 CarbonylContact O-C 3.55Å; Y690-V693 VanDerWaalsContact O-CG2 3.29Å; Y690-V693 WeakPolarHBondContact O-CG2 3.36Å; Y690-V693 PolarHBondContact O-N 2.87Å; A691-V693 VanDerWaalsContact C-N 3.29Å; A691-V693 PolarHBondContact O-N 2.86Å; V693-G695 VanDerWaalsContact C-N 3.25Å; V693-G695 PolarHBondContact O-N 3.27Å; V693-G695 VanDerWaalsContact O-N 3.13Å; V693-H696 WeakPolarHBondContact O-CB 3.32Å; V693-H696 PolarHBondContact O-N 2.84Å; V693-F697 HydrophobicContact CB-CE2 4.34Å; V693-F697 HydrophobicContact CG2-CD2 4.46Å; V693-F697 HydrophobicContact CG2-CE2 3.97Å; V693-F697 WeakPolarHBondContact O-CD2 3.25Å
694A94.1Very high88.9Confident0 Ų058.4 Ų58.40%031%0.307CS..Hα-helixtrans-53.5-38.6-17400000113.8Y690 H696 F697 F698 A736 V741 M745Y690-A694 HydrophobicContact CD1-CB 3.93Å; Y690-A694 HydrophobicContact CE1-CB 3.46Å; Y690-A694 VanDerWaalsContact CE1-CB 3.46Å; Y690-A694 HydrophobicContact CE2-CB 4.17Å; Y690-A694 HydrophobicContact CG-CB 4.47Å; Y690-A694 PolarHBondContact O-N 3.12Å; A694-H696 VanDerWaalsContact C-N 3.3Å; A694-H696 PolarHBondContact O-N 2.77Å; A694-F697 PolarHBondContact O-N 3.48Å; A694-F698 WeakPolarHBondContact O-CB 3.27Å; A694-F698 PolarHBondContact O-N 3.39Å; A694-A736 HydrophobicContact CB-CB 4.2Å; A694-V741 HydrophobicContact CB-CG1 3.92Å; A694-M745 HydrophobicContact CB-SD 4.09Å
695G94.1Very high90Very high18 Ų1852 Ų5219%0.18628%0.278CS..Hα-helixtrans-60.7-34.7176.700000113.9V693 F697 F698 F699V693-G695 VanDerWaalsContact C-N 3.25Å; V693-G695 PolarHBondContact O-N 3.27Å; V693-G695 VanDerWaalsContact O-N 3.13Å; G695-F697 VanDerWaalsContact C-N 3.32Å; G695-F697 PolarHBondContact O-N 3.46Å; G695-F698 PolarHBondContact O-N 2.86Å; G695-F699 WeakPolarHBondContact O-CD2 3.42Å; G695-F699 PolarHBondContact O-N 2.91Å
696H94.9Very high91Very high70 Ų7049.7 Ų49.732%0.32426%0.259SS..Hα-helixtrans-70.6-28.6178.4-65.6-87.8000112.3T596 E597 V693 A694 P700T596-H696 VanDerWaalsContact CG2-O 3.25Å; T596-H696 WeakPolarHBondContact CG2-O 3.33Å; E597-H696 IonicContact OE1-ND1 2.9Å; V693-H696 WeakPolarHBondContact O-CB 3.32Å; V693-H696 PolarHBondContact O-N 2.84Å; A694-H696 VanDerWaalsContact C-N 3.3Å; A694-H696 PolarHBondContact O-N 2.77Å; H696-P700 VanDerWaalsContact O-CD 3.31Å; H696-P700 WeakPolarHBondContact O-CD 3.49Å; H696-P700 VanDerWaalsContact O-CG 3.31Å; H696-P700 WeakPolarHBondContact O-CG 3.41Å
697F95.8Very high91.5Very high0 Ų054.3 Ų54.30%027%0.269CS..Hα-helixtrans-78.8-37174.7-74.7-111000111.7T588 T596 L620 A624 L627 Y690 V693 A694 G695 L701 L732T588-F697 HydrophobicContact CG2-CE1 3.98Å; T588-F697 HydrophobicContact CG2-CZ 3.86Å; T596-F697 HydrophobicContact CG2-CB 4.28Å; T596-F697 HydrophobicContact CG2-CD1 4.09Å; T596-F697 HydrophobicContact CG2-CD2 3.9Å; T596-F697 HydrophobicContact CG2-CE1 4.41Å; T596-F697 HydrophobicContact CG2-CE2 4.24Å; T596-F697 HydrophobicContact CG2-CG 3.81Å; T596-F697 HydrophobicContact CG2-CZ 4.48Å; T596-F697 WeakPolarHBondContact OG1-CE2 3.36Å; T596-F697 VanDerWaalsContact OG1-CZ 3.24Å; T596-F697 WeakPolarHBondContact OG1-CZ 3.48Å; L620-F697 HydrophobicContact CB-CD1 4.27Å; L620-F697 HydrophobicContact CD2-CD1 3.81Å; L620-F697 HydrophobicContact CD2-CE1 3.92Å; A624-F697 HydrophobicContact CB-CD1 4.39Å; A624-F697 HydrophobicContact CB-CE1 4.43Å; L627-F697 HydrophobicContact CD1-CZ 4.22Å; Y690-F697 HydrophobicContact CD2-CD2 4.44Å; Y690-F697 HydrophobicContact CE2-CB 4.04Å; Y690-F697 HydrophobicContact CE2-CD1 4.15Å; Y690-F697 AromaticContact CE2-CD2 3.74Å; Y690-F697 HydrophobicContact CE2-CD2 3.74Å; Y690-F697 HydrophobicContact CE2-CE2 4.2Å; Y690-F697 AromaticContact CE2-CG 3.72Å; Y690-F697 HydrophobicContact CE2-CG 3.72Å; V693-F697 HydrophobicContact CB-CE2 4.34Å; V693-F697 HydrophobicContact CG2-CD2 4.46Å; V693-F697 HydrophobicContact CG2-CE2 3.97Å; V693-F697 WeakPolarHBondContact O-CD2 3.25Å; A694-F697 PolarHBondContact O-N 3.48Å; G695-F697 VanDerWaalsContact C-N 3.32Å; G695-F697 PolarHBondContact O-N 3.46Å; F697-L701 WeakPolarHBondContact O-CD1 3.25Å; F697-L732 HydrophobicContact CB-CD1 4.14Å; F697-L732 HydrophobicContact CB-CD2 4.28Å; F697-L732 HydrophobicContact CD1-CD2 4.35Å
698F96.4Very high91.5Very high0 Ų053.3 Ų53.30%026%0.262CS..Hα-helixtrans-89.2-55.5-166.9-177.1-87.6000113.7A694 G695 L701 L702 L729 L732 M745 A748 L749A694-F698 WeakPolarHBondContact O-CB 3.27Å; A694-F698 PolarHBondContact O-N 3.39Å; G695-F698 PolarHBondContact O-N 2.86Å; F698-L701 PolarHBondContact O-N 2.74Å; F698-L702 HydrophobicContact CE1-CD2 3.95Å; F698-L702 HydrophobicContact CZ-CD2 4.35Å; F698-L702 PolarHBondContact O-N 2.93Å; F698-L729 HydrophobicContact CD2-CB 4.48Å; F698-L729 HydrophobicContact CD2-CD2 3.65Å; F698-L729 HydrophobicContact CE2-CB 3.91Å; F698-L729 HydrophobicContact CE2-CD2 3.64Å; F698-L729 HydrophobicContact CE2-CG 4.35Å; F698-L729 HydrophobicContact CG-CD2 4.23Å; F698-L729 HydrophobicContact CZ-CD2 4.17Å; F698-L732 HydrophobicContact CD2-CB 4.33Å; F698-M745 HydrophobicContact CB-CE 3.64Å; F698-M745 HydrophobicContact CB-CG 4.26Å; F698-M745 HydrophobicContact CB-SD 4.26Å; F698-M745 HydrophobicContact CD1-CB 4.05Å; F698-M745 HydrophobicContact CD1-CE 4.33Å; F698-M745 HydrophobicContact CD1-CG 3.63Å; F698-M745 HydrophobicContact CD2-CE 3.43Å; F698-M745 VanDerWaalsContact CD2-CE 3.43Å; F698-M745 HydrophobicContact CD2-CG 4.38Å; F698-M745 HydrophobicContact CE1-CB 3.97Å; F698-M745 HydrophobicContact CE1-CG 4.08Å; F698-M745 HydrophobicContact CE2-CB 4.42Å; F698-M745 HydrophobicContact CE2-CE 4.19Å; F698-M745 HydrophobicContact CG-CB 4.33Å; F698-M745 HydrophobicContact CG-CE 3.53Å; F698-M745 HydrophobicContact CG-CG 3.82Å; F698-M745 HydrophobicContact CG-SD 4.28Å; F698-M745 HydrophobicContact CZ-CB 4.19Å; F698-M745 WeakPolarHBondContact CZ-O 3.4Å; F698-A748 HydrophobicContact CE1-CB 4.38Å; F698-L749 HydrophobicContact CE2-CB 4.43Å; F698-L749 HydrophobicContact CE2-CD1 4.41Å; F698-L749 HydrophobicContact CE2-CD2 4.3Å; F698-L749 HydrophobicContact CZ-CB 3.86Å; F698-L749 HydrophobicContact CZ-CD1 4.27Å; F698-L749 HydrophobicContact CZ-CG 4.45Å
699F96.1Very high91.2Very high59 Ų5953.5 Ų53.526%0.25926%0.262SS..THydrogen-bonded Turntrans-68.4-37.6-169.9-66.3-65.1000114.6G695 L701 L702 R703 V741 Q744 M745 A748G695-F699 WeakPolarHBondContact O-CD2 3.42Å; G695-F699 PolarHBondContact O-N 2.91Å; F699-L701 VanDerWaalsContact C-N 3.28Å; F699-L701 PolarHBondContact O-N 3.26Å; F699-L702 PolarHBondContact O-N 3.2Å; F699-R703 PolarHBondContact O-N 3.37Å; F699-V741 HydrophobicContact CE2-CG2 3.68Å; F699-V741 HydrophobicContact CZ-CG2 4.11Å; F699-Q744 HydrophobicContact CE1-CG 4.19Å; F699-Q744 HydrophobicContact CZ-CB 4.14Å; F699-Q744 HydrophobicContact CZ-CG 3.71Å; F699-M745 HydrophobicContact CE1-CG 4.5Å; F699-M745 HydrophobicContact CE2-CG 4.24Å; F699-M745 HydrophobicContact CZ-CG 3.89Å; F699-A748 HydrophobicContact CE1-CB 4.23Å
700P95.3Very high90.6Very high40 Ų4055.2 Ų55.226%0.2628%0.283SS..G310 helixtrans-60.5-37.3176.2-28.339000113T600 H696 L702 R703T600-P700 HydrophobicContact CG2-CB 4.12Å; T600-P700 WeakPolarHBondContact OG1-CB 3.45Å; H696-P700 VanDerWaalsContact O-CD 3.31Å; H696-P700 WeakPolarHBondContact O-CD 3.49Å; H696-P700 VanDerWaalsContact O-CG 3.31Å; H696-P700 WeakPolarHBondContact O-CG 3.41Å; P700-L702 PolarHBondContact O-N 3.49Å; P700-R703 PolarHBondContact O-N 3.01Å
701L94.6Very high89.9Confident0 Ų060.1 Ų60.10%031%0.314CS..G310 helixtrans-65.7-26.2174.7-73.5-178.4000112.7T600 F603 Y604 L617 L620 F697 F698 F699 L725 T728 L729 L732T600-L701 HydrophobicContact CG2-CD2 3.98Å; T600-L701 HydrophobicContact CG2-CG 3.92Å; F603-L701 HydrophobicContact CB-CD2 4.4Å; F603-L701 HydrophobicContact CD1-CD2 3.97Å; F603-L701 HydrophobicContact CE1-CD2 4.49Å; F603-L701 HydrophobicContact CG-CD2 4.1Å; Y604-L701 PolarHBondContact OH-O 3.49Å; L617-L701 HydrophobicContact CD2-CD1 4.04Å; L617-L701 HydrophobicContact CD2-CD2 4.06Å; L620-L701 HydrophobicContact CD1-CD1 4.07Å; L620-L701 HydrophobicContact CD1-CD2 4.42Å; F697-L701 WeakPolarHBondContact O-CD1 3.25Å; F698-L701 PolarHBondContact O-N 2.74Å; F699-L701 VanDerWaalsContact C-N 3.28Å; F699-L701 PolarHBondContact O-N 3.26Å; L701-L725 HydrophobicContact CB-CD1 4.08Å; L701-L725 HydrophobicContact CD1-CD1 4.33Å; L701-L725 HydrophobicContact CD2-CD1 4.18Å; L701-L725 HydrophobicContact CG-CD1 4.43Å; L701-T728 HydrophobicContact CD1-CG2 4.35Å; L701-L729 HydrophobicContact CB-CD2 3.96Å; L701-L729 HydrophobicContact CD1-CD2 4.44Å; L701-L732 HydrophobicContact CD1-CD1 4.16Å
702L92.3Very high89.7Confident22 Ų2259.7 Ų59.712%0.11531%0.309CS..G310 helixtrans-92.4-2.5179.3-158.970.4000113.5F698 F699 P700 Y705 L729 A748 F752F698-L702 HydrophobicContact CE1-CD2 3.95Å; F698-L702 HydrophobicContact CZ-CD2 4.35Å; F698-L702 PolarHBondContact O-N 2.93Å; F699-L702 PolarHBondContact O-N 3.2Å; P700-L702 PolarHBondContact O-N 3.49Å; L702-Y705 HydrophobicContact CD1-CD1 4.39Å; L702-Y705 WeakPolarHBondContact O-CD1 3.41Å; L702-Y705 WeakPolarHBondContact O-CE1 3.37Å; L702-L729 HydrophobicContact CD1-CD1 3.79Å; L702-A748 HydrophobicContact CD2-CB 3.58Å; L702-F752 HydrophobicContact CD1-CB 3.74Å; L702-F752 HydrophobicContact CD1-CD1 3.41Å; L702-F752 VanDerWaalsContact CD1-CD1 3.41Å; L702-F752 HydrophobicContact CD1-CD2 4.43Å; L702-F752 HydrophobicContact CD1-CE1 4.08Å; L702-F752 HydrophobicContact CD1-CG 3.61Å
703R88.1Confident89.5Confident187 Ų18757.4 Ų57.471%0.70629%0.291SS*.SBendtrans-80.9-35.7-169-173.4177.9178.2-178.30.6114.7F699 P700F699-R703 PolarHBondContact O-N 3.37Å; P700-R703 PolarHBondContact O-N 3.01Å
704N88.1Confident89.3Confident42 Ų4256.8 Ų56.823%0.22529%0.287CS..SBendtrans-12419.8-167.5-63-37.8000112.9Y604 D706 R707Y604-N704 HydrophobicContact CD1-CB 3.84Å; Y604-N704 HydrophobicContact CD2-CB 4.12Å; Y604-N704 HydrophobicContact CE1-CB 3.81Å; Y604-N704 WeakPolarHBondContact CE1-O 3.43Å; Y604-N704 HydrophobicContact CE2-CB 4.1Å; Y604-N704 HydrophobicContact CG-CB 4Å; N704-D706 PolarHBondContact O-N 2.94Å; N704-R707 PolarHBondContact O-N 2.92Å
705Y87.9Confident89.1Confident55 Ų5560.6 Ų60.622%0.21631%0.307CS..THydrogen-bonded Turntrans-65.8-24.2-175.670.7-95.7000113.1Y604 L702 L715 F752Y604-Y705 PolarHBondContact OH-N 2.86Å; L702-Y705 HydrophobicContact CD1-CD1 4.39Å; L702-Y705 WeakPolarHBondContact O-CD1 3.41Å; L702-Y705 WeakPolarHBondContact O-CE1 3.37Å; Y705-L715 HydrophobicContact CD2-CD1 4.29Å; Y705-L715 HydrophobicContact CD2-CD2 4.32Å; Y705-L715 HydrophobicContact CD2-CG 4.49Å; Y705-L715 HydrophobicContact CE2-CD1 4.42Å; Y705-F752 HydrophobicContact CD1-CD2 4.02Å; Y705-F752 HydrophobicContact CD1-CE2 4.07Å; Y705-F752 AromaticContact CD2-CD2 3.72Å; Y705-F752 HydrophobicContact CD2-CD2 3.72Å; Y705-F752 AromaticContact CD2-CE2 3.31Å; Y705-F752 HydrophobicContact CD2-CE2 3.31Å; Y705-F752 HydrophobicContact CD2-CZ 4.27Å; Y705-F752 AromaticContact CE1-CD2 3.83Å; Y705-F752 HydrophobicContact CE1-CD2 3.83Å; Y705-F752 HydrophobicContact CE1-CE2 4.31Å; Y705-F752 HydrophobicContact CE1-CG 4.45Å; Y705-F752 AromaticContact CE2-CD2 3.5Å; Y705-F752 HydrophobicContact CE2-CD2 3.5Å; Y705-F752 AromaticContact CE2-CE2 3.57Å; Y705-F752 HydrophobicContact CE2-CE2 3.57Å; Y705-F752 AromaticContact CG-CD2 3.98Å; Y705-F752 HydrophobicContact CG-CD2 3.98Å; Y705-F752 AromaticContact CG-CE2 3.59Å; Y705-F752 HydrophobicContact CG-CE2 3.59Å; Y705-F752 HydrophobicContact CG-CZ 4.22Å; Y705-F752 AromaticContact CZ-CD2 3.57Å
706D86.9Confident88.7Confident86 Ų8660.9 Ų60.946%0.4631%0.31SS..THydrogen-bonded Turntrans-93.5-0.7-176.264.8-28.9000113.4N704 P708 L715N704-D706 PolarHBondContact O-N 2.94Å; D706-P708 WeakPolarHBondContact O-CD 3.31Å; D706-L715 HydrophobicContact CB-CD1 4.22Å
707R86.9Confident88.2Confident163 Ų16360.7 Ų60.762%0.61533%0.327SS*.  trans-97.9101.8-178-65.5-174.3179.5-164.8-3.1110.5N704 Q709N704-R707 PolarHBondContact O-N 2.92Å; R707-Q709 PolarHBondContact O-N 3.48Å
708P80.6Confident87.9Confident92 Ų9262.3 Ų62.360%0.59734%0.335SS*.  trans-67.9135.1177.228.6-34.8000110.3D706 D713D706-P708 WeakPolarHBondContact O-CD 3.31Å; P708-D713 HydrophobicContact CB-CB 4.35Å
709Q81.1Confident87.7Confident45 Ų4564.9 Ų64.921%0.2135%0.347CS..BIsolated β-bridgetrans-107.8159168.9-62.3-172.4-4.100109.7Y604 M606 R707 T711 F712Y604-Q709 PolarHBondContact O-NE2 3.34Å; Y604-Q709 PolarHBondContact O-OE1 2.91Å; M606-Q709 HydrophobicContact CE-CB 3.62Å; M606-Q709 HydrophobicContact CE-CG 3.57Å; M606-Q709 HydrophobicContact SD-CB 3.81Å; M606-Q709 HydrophobicContact SD-CG 4.19Å; M606-Q709 PolarHBondContact SD-OE1 2.98Å; M606-Q709 VanDerWaalsContact SD-OE1 3.34Å; R707-Q709 PolarHBondContact O-N 3.48Å; Q709-T711 PolarHBondContact O-N 3.29Å; Q709-F712 WeakPolarHBondContact CA-O 3.46Å; Q709-F712 HydrophobicContact CB-CB 4.2Å; Q709-F712 WeakPolarHBondContact CB-O 3.36Å; Q709-F712 PolarHBondContact N-O 3.46Å; Q709-F712 PolarHBondContact O-N 3.28Å
710V77.8Confident87.4Confident141 Ų14165 Ų6586%0.85535%0.35SS*.THydrogen-bonded Turntrans-53.2-33.5-174.4-179.10000112.7
711T78.3Confident87.2Confident104 Ų10463.1 Ų63.164%0.63834%0.338SS*.THydrogen-bonded Turntrans-124.77.5-17752.20000113.5Q709Q709-T711 PolarHBondContact O-N 3.29Å
712F87.6Confident87.2Confident7 Ų763.1 Ų63.13%0.03134%0.338CS..BIsolated β-bridgetrans-148.8106.5-177.5-177.2-120.4000110.4F603 Y604 Q709 L714 D718 V721F603-F712 HydrophobicContact CE1-CZ 4.33Å; F603-F712 HydrophobicContact CZ-CZ 4.17Å; Y604-F712 HydrophobicContact CD1-CE1 4.13Å; Y604-F712 HydrophobicContact CE1-CE1 4.46Å; Q709-F712 WeakPolarHBondContact CA-O 3.46Å; Q709-F712 HydrophobicContact CB-CB 4.2Å; Q709-F712 WeakPolarHBondContact CB-O 3.36Å; Q709-F712 PolarHBondContact N-O 3.46Å; Q709-F712 PolarHBondContact O-N 3.28Å; F712-L714 HydrophobicContact CE1-CD1 4.14Å; F712-L714 HydrophobicContact CE1-CD2 4.46Å; F712-L714 HydrophobicContact CE1-CG 4.03Å; F712-L714 HydrophobicContact CE2-CD2 3.98Å; F712-L714 HydrophobicContact CE2-CG 4.24Å; F712-L714 HydrophobicContact CZ-CD1 4.06Å; F712-L714 HydrophobicContact CZ-CD2 3.64Å; F712-L714 HydrophobicContact CZ-CG 3.69Å; F712-D718 WeakPolarHBondContact CA-OD2 3.26Å; F712-D718 WeakPolarHBondContact CD2-OD2 3.37Å; F712-V721 HydrophobicContact CE2-CB 4.27Å; F712-V721 HydrophobicContact CE2-CG1 3.94Å; F712-V721 HydrophobicContact CE2-CG2 4.45Å; F712-V721 HydrophobicContact CZ-CG1 4.05Å
713D88.9Confident87.1Confident56 Ų5662.2 Ų62.230%0.29933%0.334SS..  trans-134.898.2-177.1-176.15.1000110.5P708 L715 G716 G717 D718P708-D713 HydrophobicContact CB-CB 4.35Å; D713-L715 PolarHBondContact O-N 3.25Å; D713-L715 PolarHBondContact OD1-N 3.39Å; D713-G716 VanDerWaalsContact CG-N 3.28Å; D713-G716 CarbonylContact O-C 3.42Å; D713-G716 PolarHBondContact O-N 3Å; D713-G716 PolarHBondContact OD1-N 3.31Å; D713-G716 WeakPolarHBondContact OD2-CA 3.29Å; D713-G716 PolarHBondContact OD2-N 2.92Å; D713-G717 PolarHBondContact O-N 2.89Å; D713-D718 PolarHBondContact N-OD2 3.37Å; D713-D718 WeakPolarHBondContact O-CB 3.4Å; D713-D718 PolarHBondContact O-N 3.4Å
714L89.8Confident87.3Confident6 Ų655.4 Ų55.43%0.03131%0.308CS..THydrogen-bonded Turntrans-64.8-37.4-177.8-74.9169.8000113F603 Y604 F712 V721 L722 L725F603-L714 HydrophobicContact CE1-CD1 4.39Å; Y604-L714 HydrophobicContact CE1-CD1 3.8Å; F712-L714 HydrophobicContact CE1-CD1 4.14Å; F712-L714 HydrophobicContact CE1-CD2 4.46Å; F712-L714 HydrophobicContact CE1-CG 4.03Å; F712-L714 HydrophobicContact CE2-CD2 3.98Å; F712-L714 HydrophobicContact CE2-CG 4.24Å; F712-L714 HydrophobicContact CZ-CD1 4.06Å; F712-L714 HydrophobicContact CZ-CD2 3.64Å; F712-L714 HydrophobicContact CZ-CG 3.69Å; L714-V721 HydrophobicContact CD2-CB 3.96Å; L714-V721 HydrophobicContact CD2-CG1 3.8Å; L714-L722 HydrophobicContact CB-CD1 4.36Å; L714-L722 HydrophobicContact CD2-CB 4.23Å; L714-L722 WeakPolarHBondContact O-CB 3.4Å; L714-L722 VanDerWaalsContact O-CD2 3.29Å; L714-L722 WeakPolarHBondContact O-CD2 3.34Å; L714-L725 HydrophobicContact CD1-CD2 3.9Å
715L89.2Confident87.6Confident79 Ų7953.4 Ų53.441%0.41430%0.297SS..THydrogen-bonded Turntrans-88.4-13.8179.4-62.9-177.1000112.5Y705 D706 D713 L722 V756Y705-L715 HydrophobicContact CD2-CD1 4.29Å; Y705-L715 HydrophobicContact CD2-CD2 4.32Å; Y705-L715 HydrophobicContact CD2-CG 4.49Å; Y705-L715 HydrophobicContact CE2-CD1 4.42Å; D706-L715 HydrophobicContact CB-CD1 4.22Å; D713-L715 PolarHBondContact O-N 3.25Å; D713-L715 PolarHBondContact OD1-N 3.39Å; L715-L722 HydrophobicContact CD2-CD2 4.46Å; L715-V756 HydrophobicContact CD2-CG1 3.82Å
716G86.7Confident88Confident25 Ų2550.8 Ų50.826%0.25829%0.287SS..THydrogen-bonded Turntrans-92.8-117169.900000112.2D713 D718 H719D713-G716 VanDerWaalsContact CG-N 3.28Å; D713-G716 CarbonylContact O-C 3.42Å; D713-G716 PolarHBondContact O-N 3Å; D713-G716 PolarHBondContact OD1-N 3.31Å; D713-G716 WeakPolarHBondContact OD2-CA 3.29Å; D713-G716 PolarHBondContact OD2-N 2.92Å; G716-D718 PolarHBondContact O-N 2.96Å; G716-H719 PolarHBondContact O-CD2 3.42Å; G716-H719 PolarHBondContact O-NE2 3.22Å
717G84.5Confident88.2Confident65 Ų6548.3 Ų48.367%0.6727%0.273SS*.THydrogen-bonded Turntrans-77.3-17.1-167.100000116.5D713 H719D713-G717 PolarHBondContact O-N 2.89Å; G717-H719 VanDerWaalsContact C-N 3.29Å; G717-H719 PolarHBondContact O-N 3.3Å
718D89.8Confident88.5Confident34 Ų3440.6 Ų40.618%0.18224%0.244CC..  trans-90.347.9-168.7-65.1-48.5000113.9F712 D713 G716 L720 V721 L722F712-D718 WeakPolarHBondContact CA-OD2 3.26Å; F712-D718 WeakPolarHBondContact CD2-OD2 3.37Å; D713-D718 PolarHBondContact N-OD2 3.37Å; D713-D718 WeakPolarHBondContact O-CB 3.4Å; D713-D718 PolarHBondContact O-N 3.4Å; G716-D718 PolarHBondContact O-N 2.96Å; D718-L720 PolarHBondContact O-N 3.41Å; D718-L720 VanDerWaalsContact O-N 3.12Å; D718-V721 PolarHBondContact O-N 2.99Å; D718-L722 PolarHBondContact O-N 3.31Å
719H91Very high89.2Confident54 Ų5436.2 Ų36.225%0.2522%0.215CC..Hα-helixtrans-55.7-34-175.7-53.2158.3000113.9G716 G717 L722 G723 H759 D761 V764G716-H719 PolarHBondContact O-CD2 3.42Å; G716-H719 PolarHBondContact O-NE2 3.22Å; G717-H719 VanDerWaalsContact C-N 3.29Å; G717-H719 PolarHBondContact O-N 3.3Å; H719-L722 PolarHBondContact O-N 3.22Å; H719-G723 PolarHBondContact O-N 3.23Å; H719-H759 AromaticContact CD2-CE1 3.3Å; H719-H759 PolarHBondContact CD2-CE1 3.42Å; H719-H759 AromaticContact CD2-NE2 3.4Å; H719-H759 PolarHBondContact CD2-NE2 3.44Å; H719-H759 AromaticContact CE1-CE1 3.86Å; H719-H759 AromaticContact CG-CE1 3.5Å; H719-H759 AromaticContact ND1-CE1 3.84Å; H719-H759 AromaticContact NE2-CE1 3.53Å; H719-H759 AromaticContact NE2-NE2 3.62Å; H719-D761 HydrophobicContact CB-CB 4.03Å; H719-V764 HydrophobicContact CB-CG2 4.13Å; H719-V764 WeakPolarHBondContact O-CG2 3.31Å
720L89.6Confident89.8Confident62 Ų6234 Ų3433%0.32521%0.205SC..Hα-helixtrans-63.8-45.5178.5178.766.5000111.3D718 R724 M763D718-L720 PolarHBondContact O-N 3.41Å; D718-L720 VanDerWaalsContact O-N 3.12Å; L720-R724 WeakPolarHBondContact O-CB 3.38Å; L720-R724 WeakPolarHBondContact O-CG 3.36Å; L720-R724 PolarHBondContact O-N 3.34Å; L720-R724 VanDerWaalsContact O-N 3.11Å; L720-M763 HydrophobicContact CD1-CE 4.34Å
721V92.3Very high90.4Very high1 Ų128.2 Ų28.21%0.00617%0.169CC..Hα-helixtrans-71.6-39.9179.7-173.80000109.7F603 I610 F712 L714 D718 R724 L725F603-V721 HydrophobicContact CE2-CG1 3.98Å; F603-V721 HydrophobicContact CZ-CG1 3.87Å; I610-V721 HydrophobicContact CG1-CG2 4.35Å; I610-V721 HydrophobicContact CG2-CG2 3.77Å; F712-V721 HydrophobicContact CE2-CB 4.27Å; F712-V721 HydrophobicContact CE2-CG1 3.94Å; F712-V721 HydrophobicContact CE2-CG2 4.45Å; F712-V721 HydrophobicContact CZ-CG1 4.05Å; L714-V721 HydrophobicContact CD2-CB 3.96Å; L714-V721 HydrophobicContact CD2-CG1 3.8Å; D718-V721 PolarHBondContact O-N 2.99Å; V721-R724 PolarHBondContact O-N 2.88Å; V721-L725 VanDerWaalsContact O-CB 3.29Å; V721-L725 WeakPolarHBondContact O-CB 3.44Å; V721-L725 PolarHBondContact O-N 3.33Å
722L93.5Very high91.2Very high0 Ų023.2 Ų23.20%014%0.138CC..Hα-helixtrans-58.3-50.4174.1178.565.3000111.9L714 L715 D718 H719 R724 L725 I726 F752 V764L714-L722 HydrophobicContact CB-CD1 4.36Å; L714-L722 HydrophobicContact CD2-CB 4.23Å; L714-L722 WeakPolarHBondContact O-CB 3.4Å; L714-L722 VanDerWaalsContact O-CD2 3.29Å; L714-L722 WeakPolarHBondContact O-CD2 3.34Å; L715-L722 HydrophobicContact CD2-CD2 4.46Å; D718-L722 PolarHBondContact O-N 3.31Å; H719-L722 PolarHBondContact O-N 3.22Å; L722-R724 VanDerWaalsContact C-N 3.3Å; L722-R724 PolarHBondContact O-N 3.44Å; L722-L725 WeakPolarHBondContact O-CB 3.4Å; L722-L725 PolarHBondContact O-N 3.43Å; L722-I726 HydrophobicContact CD1-CD1 3.98Å; L722-I726 HydrophobicContact CD1-CG1 4.3Å; L722-I726 HydrophobicContact CG-CD1 3.89Å; L722-I726 VanDerWaalsContact O-CG1 3.31Å; L722-I726 WeakPolarHBondContact O-CG1 3.47Å; L722-I726 PolarHBondContact O-N 3.2Å; L722-F752 HydrophobicContact CD1-CZ 3.9Å; L722-V764 HydrophobicContact CD2-CG1 3.9Å; L722-V764 HydrophobicContact CD2-CG2 4.18Å; L722-V764 HydrophobicContact CG-CG1 4.29Å; L722-V764 HydrophobicContact CG-CG2 4.4Å
723G90.8Very high91.5Very high2 Ų222.9 Ų22.92%0.02114%0.137CC..Hα-helixtrans-61-39.4178.800000112.5H719 H727H719-G723 PolarHBondContact O-N 3.23Å; G723-H727 WeakPolarHBondContact O-CB 3.41Å; G723-H727 PolarHBondContact O-N 2.98Å; G723-H727 VanDerWaalsContact O-N 3.07Å
724R92.8Very high91.5Very high44 Ų4424.1 Ų24.117%0.16614%0.141CC..Hα-helixtrans-69.3-38.2175.6-69.6-75-173.61671.8112.4L614 L617 M646 L720 V721 L722 T728L614-R724 HydrophobicContact CD2-CB 3.68Å; L614-R724 HydrophobicContact CD2-CG 3.67Å; L617-R724 HydrophobicContact CD1-CB 4.23Å; M646-R724 PolarHBondContact O-NH1 3.05Å; M646-R724 PolarHBondContact SD-NH1 2.7Å; L720-R724 WeakPolarHBondContact O-CB 3.38Å; L720-R724 WeakPolarHBondContact O-CG 3.36Å; L720-R724 PolarHBondContact O-N 3.34Å; L720-R724 VanDerWaalsContact O-N 3.11Å; V721-R724 PolarHBondContact O-N 2.88Å; L722-R724 VanDerWaalsContact C-N 3.3Å; L722-R724 PolarHBondContact O-N 3.44Å; R724-T728 VanDerWaalsContact O-CB 3.31Å; R724-T728 WeakPolarHBondContact O-CB 3.33Å; R724-T728 PolarHBondContact O-N 3.4Å; R724-T728 PolarHBondContact O-OG1 3.34Å
725L94.9Very high91.6Very high0 Ų024.8 Ų24.80%014%0.144CC..Hα-helixtrans-62.4-49175177.265.3000111F603 L617 L701 L714 V721 L722 H727 T728 L729F603-L725 HydrophobicContact CE1-CD1 4.13Å; F603-L725 HydrophobicContact CE1-CD2 4.22Å; F603-L725 HydrophobicContact CZ-CD1 4.04Å; F603-L725 HydrophobicContact CZ-CD2 4.28Å; L617-L725 HydrophobicContact CD1-CB 4.38Å; L617-L725 HydrophobicContact CD2-CD1 3.92Å; L701-L725 HydrophobicContact CB-CD1 4.08Å; L701-L725 HydrophobicContact CD1-CD1 4.33Å; L701-L725 HydrophobicContact CD2-CD1 4.18Å; L701-L725 HydrophobicContact CG-CD1 4.43Å; L714-L725 HydrophobicContact CD1-CD2 3.9Å; V721-L725 VanDerWaalsContact O-CB 3.29Å; V721-L725 WeakPolarHBondContact O-CB 3.44Å; V721-L725 PolarHBondContact O-N 3.33Å; L722-L725 WeakPolarHBondContact O-CB 3.4Å; L722-L725 PolarHBondContact O-N 3.43Å; L725-H727 VanDerWaalsContact C-N 3.35Å; L725-H727 PolarHBondContact O-N 3.44Å; L725-T728 WeakPolarHBondContact O-CA 3.29Å; L725-T728 WeakPolarHBondContact O-CB 3.34Å; L725-T728 PolarHBondContact O-N 2.93Å; L725-T728 VanDerWaalsContact O-N 3.1Å; L725-L729 HydrophobicContact CD1-CD1 4.43Å; L725-L729 HydrophobicContact CD1-CG 4.5Å; L725-L729 HydrophobicContact CG-CD1 4.2Å; L725-L729 WeakPolarHBondContact O-CG 3.41Å; L725-L729 PolarHBondContact O-N 3.49Å
726I94.5Very high91.6Very high0 Ų021 Ų210%013%0.125CC..Hα-helixtrans-60.9-45.5178.7-63.3161.6000110.7L722 T728 L729 G730 F752 V753 V756 V764 G767 V768 A771L722-I726 HydrophobicContact CD1-CD1 3.98Å; L722-I726 HydrophobicContact CD1-CG1 4.3Å; L722-I726 HydrophobicContact CG-CD1 3.89Å; L722-I726 VanDerWaalsContact O-CG1 3.31Å; L722-I726 WeakPolarHBondContact O-CG1 3.47Å; L722-I726 PolarHBondContact O-N 3.2Å; I726-T728 VanDerWaalsContact C-N 3.28Å; I726-T728 PolarHBondContact O-N 3.16Å; I726-L729 PolarHBondContact O-N 3.13Å; I726-G730 PolarHBondContact O-N 3.28Å; I726-F752 HydrophobicContact CD1-CE1 4.45Å; I726-F752 HydrophobicContact CD1-CZ 4.4Å; I726-F752 HydrophobicContact CG1-CE1 3.55Å; I726-F752 HydrophobicContact CG1-CZ 3.87Å; I726-V753 HydrophobicContact CG2-CG2 4.03Å; I726-V756 HydrophobicContact CD1-CG2 3.93Å; I726-V764 HydrophobicContact CD1-CG1 3.8Å; I726-G767 VanDerWaalsContact CG2-C 3.42Å; I726-G767 WeakPolarHBondContact CG2-O 3.25Å; I726-V768 HydrophobicContact CD1-CG2 4.08Å; I726-V768 HydrophobicContact CG2-CG2 4.37Å; I726-A771 HydrophobicContact CG2-CB 3.97Å
727H91.3Very high91.5Very high35 Ų3522.2 Ų22.216%0.16213%0.127CC..Hα-helixtrans-61.7-38175.6-172.4-66.6000111.9G723 L725 G730 L731 F770G723-H727 WeakPolarHBondContact O-CB 3.41Å; G723-H727 PolarHBondContact O-N 2.98Å; G723-H727 VanDerWaalsContact O-N 3.07Å; L725-H727 VanDerWaalsContact C-N 3.35Å; L725-H727 PolarHBondContact O-N 3.44Å; H727-G730 PolarHBondContact O-N 2.6Å; H727-L731 PolarHBondContact O-N 3.13Å; H727-F770 AromaticContact CD2-CD1 3.9Å; H727-F770 AromaticContact CE1-CE1 3.96Å
728T94.1Very high91.3Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-63.3-46.9176.2-600000111.3L617 I621 L701 R724 L725 I726 G730 L731 L732L617-T728 HydrophobicContact CB-CG2 4.3Å; L617-T728 HydrophobicContact CD2-CG2 3.97Å; I621-T728 HydrophobicContact CD1-CG2 3.58Å; I621-T728 WeakPolarHBondContact CD1-OG1 3.44Å; I621-T728 HydrophobicContact CG1-CG2 3.59Å; L701-T728 HydrophobicContact CD1-CG2 4.35Å; R724-T728 VanDerWaalsContact O-CB 3.31Å; R724-T728 WeakPolarHBondContact O-CB 3.33Å; R724-T728 PolarHBondContact O-N 3.4Å; R724-T728 PolarHBondContact O-OG1 3.34Å; L725-T728 WeakPolarHBondContact O-CA 3.29Å; L725-T728 WeakPolarHBondContact O-CB 3.34Å; L725-T728 PolarHBondContact O-N 2.93Å; L725-T728 VanDerWaalsContact O-N 3.1Å; I726-T728 VanDerWaalsContact C-N 3.28Å; I726-T728 PolarHBondContact O-N 3.16Å; T728-G730 VanDerWaalsContact C-N 3.31Å; T728-G730 PolarHBondContact O-N 3.41Å; T728-L731 PolarHBondContact O-N 2.83Å; T728-L731 VanDerWaalsContact O-N 3.15Å; T728-L732 HydrophobicContact CG2-CD1 4.18Å; T728-L732 HydrophobicContact CG2-CG 4.45Å; T728-L732 WeakPolarHBondContact O-CG 3.35Å; T728-L732 PolarHBondContact O-N 3.01Å
729L95.6Very high91.1Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-61.6-39175.8-68.8167.1000111.9F698 L701 L702 L725 I726 L732 M733 L749 F752F698-L729 HydrophobicContact CD2-CB 4.48Å; F698-L729 HydrophobicContact CD2-CD2 3.65Å; F698-L729 HydrophobicContact CE2-CB 3.91Å; F698-L729 HydrophobicContact CE2-CD2 3.64Å; F698-L729 HydrophobicContact CE2-CG 4.35Å; F698-L729 HydrophobicContact CG-CD2 4.23Å; F698-L729 HydrophobicContact CZ-CD2 4.17Å; L701-L729 HydrophobicContact CB-CD2 3.96Å; L701-L729 HydrophobicContact CD1-CD2 4.44Å; L702-L729 HydrophobicContact CD1-CD1 3.79Å; L725-L729 HydrophobicContact CD1-CD1 4.43Å; L725-L729 HydrophobicContact CD1-CG 4.5Å; L725-L729 HydrophobicContact CG-CD1 4.2Å; L725-L729 WeakPolarHBondContact O-CG 3.41Å; L725-L729 PolarHBondContact O-N 3.49Å; I726-L729 PolarHBondContact O-N 3.13Å; L729-L732 PolarHBondContact O-N 3.01Å; L729-M733 WeakPolarHBondContact O-CB 3.29Å; L729-M733 PolarHBondContact O-N 3.48Å; L729-L749 HydrophobicContact CB-CD1 3.7Å; L729-L749 HydrophobicContact CD1-CD1 4.22Å; L729-F752 HydrophobicContact CD1-CD1 4.11Å; L729-F752 HydrophobicContact CD1-CE1 3.88Å
730G92.1Very high90.9Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-59.9-44.417200000112.7I726 H727 T728 M733 H734 S774I726-G730 PolarHBondContact O-N 3.28Å; H727-G730 PolarHBondContact O-N 2.6Å; T728-G730 VanDerWaalsContact C-N 3.31Å; T728-G730 PolarHBondContact O-N 3.41Å; G730-M733 WeakPolarHBondContact O-CB 3.32Å; G730-M733 PolarHBondContact O-N 3.3Å; G730-H734 PolarHBondContact O-N 2.91Å; G730-S774 WeakPolarHBondContact O-CB 3.23Å; G730-S774 PolarHBondContact O-OG 3.4Å
731L92.3Very high90.9Very high18 Ų1826.5 Ų26.59%0.09415%0.145CC..Hα-helixtrans-65-44.5176-79170.8000112I621 H727 T728 M733 H734 L735 F770I621-L731 HydrophobicContact CD1-CD1 3.79Å; I621-L731 HydrophobicContact CG1-CD1 4.33Å; I621-L731 HydrophobicContact CG2-CD1 3.92Å; H727-L731 PolarHBondContact O-N 3.13Å; T728-L731 PolarHBondContact O-N 2.83Å; T728-L731 VanDerWaalsContact O-N 3.15Å; L731-M733 VanDerWaalsContact C-N 3.29Å; L731-M733 PolarHBondContact O-N 2.69Å; L731-H734 WeakPolarHBondContact O-CA 3.41Å; L731-H734 WeakPolarHBondContact O-CB 3.39Å; L731-H734 PolarHBondContact O-N 3.47Å; L731-H734 VanDerWaalsContact O-N 3.09Å; L731-L735 WeakPolarHBondContact O-CG 3.48Å; L731-L735 PolarHBondContact O-N 2.65Å; L731-F770 HydrophobicContact CD2-CE1 4.2Å; L731-F770 HydrophobicContact CD2-CZ 3.81Å; L731-F770 HydrophobicContact CG-CE1 3.9Å; L731-F770 HydrophobicContact CG-CZ 4.04Å
732L94.4Very high90.8Very high0 Ų026.4 Ų26.40%015%0.145CC..Hα-helixtrans-61.4-39.4176.7-66.9175.3000111.5A624 Y690 F697 F698 L701 T728 L729 H734 L735 A736A624-L732 HydrophobicContact CB-CD2 3.52Å; Y690-L732 WeakPolarHBondContact CE1-O 3.43Å; Y690-L732 HydrophobicContact CE2-CD2 4.43Å; Y690-L732 WeakPolarHBondContact OH-CD2 3.09Å; F697-L732 HydrophobicContact CB-CD1 4.14Å; F697-L732 HydrophobicContact CB-CD2 4.28Å; F697-L732 HydrophobicContact CD1-CD2 4.35Å; F698-L732 HydrophobicContact CD2-CB 4.33Å; L701-L732 HydrophobicContact CD1-CD1 4.16Å; T728-L732 HydrophobicContact CG2-CD1 4.18Å; T728-L732 HydrophobicContact CG2-CG 4.45Å; T728-L732 WeakPolarHBondContact O-CG 3.35Å; T728-L732 PolarHBondContact O-N 3.01Å; L729-L732 PolarHBondContact O-N 3.01Å; L732-H734 VanDerWaalsContact C-N 3.35Å; L732-L735 PolarHBondContact O-N 2.87Å; L732-A736 WeakPolarHBondContact O-CB 3.47Å; L732-A736 PolarHBondContact O-N 3.45Å; L732-A736 VanDerWaalsContact O-N 3.11Å
733M92.8Very high90.7Very high0 Ų027.9 Ų27.90%015%0.154CC..Hα-helixtrans-60.1-45.1171.4-178.663.1-165.900111.5L729 G730 L731 L735 A736 A742 M745 L749 I775 S778 M779L729-M733 WeakPolarHBondContact O-CB 3.29Å; L729-M733 PolarHBondContact O-N 3.48Å; G730-M733 WeakPolarHBondContact O-CB 3.32Å; G730-M733 PolarHBondContact O-N 3.3Å; L731-M733 VanDerWaalsContact C-N 3.29Å; L731-M733 PolarHBondContact O-N 2.69Å; M733-L735 VanDerWaalsContact C-N 3.31Å; M733-L735 PolarHBondContact O-N 3.49Å; M733-A736 PolarHBondContact O-N 3.2Å; M733-A736 VanDerWaalsContact O-N 3.15Å; M733-A742 HydrophobicContact CE-CB 4.13Å; M733-A742 VanDerWaalsContact CE-O 3.26Å; M733-A742 WeakPolarHBondContact CE-O 3.33Å; M733-M745 HydrophobicContact SD-CB 3.78Å; M733-M745 HydrophobicContact SD-CE 4.45Å; M733-L749 HydrophobicContact CB-CD2 4.03Å; M733-L749 HydrophobicContact CG-CD2 4.37Å; M733-I775 HydrophobicContact CG-CG1 4.37Å; M733-S778 WeakPolarHBondContact O-CB 3.27Å; M733-S778 PolarHBondContact O-OG 2.65Å; M733-M779 HydrophobicContact CE-CG 3.42Å; M733-M779 VanDerWaalsContact CE-CG 3.42Å; M733-M779 HydrophobicContact CE-SD 4.4Å
734H90.2Very high90.7Very high81 Ų8133.8 Ų33.838%0.37518%0.18SC..Hα-helixtrans-62.9-34.4177.2-172.761.3000113.7G730 L731 L732 A736 V737 S778G730-H734 PolarHBondContact O-N 2.91Å; L731-H734 WeakPolarHBondContact O-CA 3.41Å; L731-H734 WeakPolarHBondContact O-CB 3.39Å; L731-H734 PolarHBondContact O-N 3.47Å; L731-H734 VanDerWaalsContact O-N 3.09Å; L732-H734 VanDerWaalsContact C-N 3.35Å; H734-A736 VanDerWaalsContact C-N 3.28Å; H734-V737 WeakPolarHBondContact O-CG2 3.49Å; H734-S778 VanDerWaalsContact CA-OG 3.31Å; H734-S778 WeakPolarHBondContact CA-OG 3.45Å
735L90.8Very high90.7Very high21 Ų2131.7 Ų31.711%0.1117%0.173CC..Hα-helixtrans-78.7-17178.1-61.3166.1000112.3A624 Q625 S628 N688 Y690 L731 L732 M733 V737A624-L735 HydrophobicContact CB-CD1 3.75Å; Q625-L735 HydrophobicContact CB-CD1 4.41Å; Q625-L735 HydrophobicContact CG-CD1 3.6Å; Q625-L735 HydrophobicContact CG-CD2 3.89Å; Q625-L735 HydrophobicContact CG-CG 4.38Å; S628-L735 WeakPolarHBondContact OG-CD2 3.09Å; N688-L735 PolarHBondContact ND2-O 2.93Å; Y690-L735 HydrophobicContact CD1-CB 3.95Å; Y690-L735 HydrophobicContact CE1-CB 3.98Å; L731-L735 WeakPolarHBondContact O-CG 3.48Å; L731-L735 PolarHBondContact O-N 2.65Å; L732-L735 PolarHBondContact O-N 2.87Å; M733-L735 VanDerWaalsContact C-N 3.31Å; M733-L735 PolarHBondContact O-N 3.49Å; L735-V737 VanDerWaalsContact C-N 3.29Å; L735-V737 PolarHBondContact O-N 3.48Å
736A89.6Confident90.6Very high0 Ų031.7 Ų31.70%017%0.173CC..THydrogen-bonded Turntrans-86.514.7175.800000113.7Y690 A694 L732 M733 H734 N738 A739 M745Y690-A736 HydrophobicContact CD1-CB 4.47Å; Y690-A736 HydrophobicContact CE1-CB 4.01Å; A694-A736 HydrophobicContact CB-CB 4.2Å; L732-A736 WeakPolarHBondContact O-CB 3.47Å; L732-A736 PolarHBondContact O-N 3.45Å; L732-A736 VanDerWaalsContact O-N 3.11Å; M733-A736 PolarHBondContact O-N 3.2Å; M733-A736 VanDerWaalsContact O-N 3.15Å; H734-A736 VanDerWaalsContact C-N 3.28Å; A736-N738 PolarHBondContact O-N 2.83Å; A736-A739 HydrophobicContact CB-CB 4.13Å; A736-A739 WeakPolarHBondContact O-CB 3.32Å; A736-A739 PolarHBondContact O-N 2.93Å; A736-M745 HydrophobicContact CB-CE 3.89Å; A736-M745 HydrophobicContact CB-SD 4.04Å
737V84.4Confident90.4Very high49 Ų4937.7 Ų37.730%0.29720%0.195SC..THydrogen-bonded Turntrans-51.6130.1175172.70000110H734 L735 A739H734-V737 WeakPolarHBondContact O-CG2 3.49Å; L735-V737 VanDerWaalsContact C-N 3.29Å; L735-V737 PolarHBondContact O-N 3.48Å; V737-A739 PolarHBondContact O-N 3.47Å
738N80.4Confident90.5Very high147 Ų14737.2 Ų37.279%0.78620%0.197SC*.THydrogen-bonded Turntrans65.49.9-175.4-52.6-41.4000116A736A736-N738 PolarHBondContact O-N 2.83Å
739A86.8Confident90.5Very high7 Ų737.2 Ų37.26%0.05820%0.197CC..  trans-77.9143171.900000110.8A691 A736 V737 V741 A742A691-A739 HydrophobicContact CB-CB 3.68Å; A736-A739 HydrophobicContact CB-CB 4.13Å; A736-A739 WeakPolarHBondContact O-CB 3.32Å; A736-A739 PolarHBondContact O-N 2.93Å; V737-A739 PolarHBondContact O-N 3.47Å; A739-V741 HydrophobicContact CB-CG1 4.2Å; A739-V741 PolarHBondContact O-N 3.18Å; A739-A742 WeakPolarHBondContact O-CB 3.47Å; A739-A742 PolarHBondContact O-N 2.86Å
740P85.7Confident90.3Very high122 Ų12237.2 Ų37.279%0.79220%0.198SC*.THydrogen-bonded Turntrans-62.9-27.4179.825.5-34.2000112.8A742P740-A742 VanDerWaalsContact C-N 3.32Å
741V90.1Very high90.3Very high29 Ų2940.7 Ų40.718%0.17622%0.216CC..THydrogen-bonded Turntrans-80.8-9.7179.168.80000113.3A694 F699 A739 T743 Q744 M745A694-V741 HydrophobicContact CB-CG1 3.92Å; F699-V741 HydrophobicContact CE2-CG2 3.68Å; F699-V741 HydrophobicContact CZ-CG2 4.11Å; A739-V741 HydrophobicContact CB-CG1 4.2Å; A739-V741 PolarHBondContact O-N 3.18Å; V741-T743 VanDerWaalsContact C-N 3.3Å; V741-T743 PolarHBondContact O-N 3.37Å; V741-Q744 PolarHBondContact O-N 3.04Å; V741-Q744 VanDerWaalsContact O-N 3.13Å; V741-M745 HydrophobicContact CG1-SD 3.7Å; V741-M745 HydrophobicContact CG2-CG 4.17Å; V741-M745 HydrophobicContact CG2-SD 4.35Å; V741-M745 WeakPolarHBondContact O-CG 3.4Å; V741-M745 PolarHBondContact O-N 3.35Å
742A90.4Very high90.3Very high0 Ų040 Ų400%021%0.212CC..Hα-helixtrans-59.5-37.9-174.700000112.8M733 A739 P740 Q744 M745 G746M733-A742 HydrophobicContact CE-CB 4.13Å; M733-A742 VanDerWaalsContact CE-O 3.26Å; M733-A742 WeakPolarHBondContact CE-O 3.33Å; A739-A742 WeakPolarHBondContact O-CB 3.47Å; A739-A742 PolarHBondContact O-N 2.86Å; P740-A742 VanDerWaalsContact C-N 3.32Å; A742-Q744 PolarHBondContact O-N 3.1Å; A742-M745 PolarHBondContact O-N 3.08Å; A742-G746 PolarHBondContact O-N 3.29Å
743T90Very high90.3Very high31 Ų3140 Ų4019%0.1921%0.213CC..Hα-helixtrans-62.6-43.7177.2-54.20000111.8V741 G746 R747 M779 E787V741-T743 VanDerWaalsContact C-N 3.3Å; V741-T743 PolarHBondContact O-N 3.37Å; T743-G746 PolarHBondContact O-N 3.49Å; T743-R747 PolarHBondContact O-N 3.4Å; T743-R747 VanDerWaalsContact O-N 3.1Å; T743-M779 HydrophobicContact CG2-CE 4.33Å; T743-E787 HydrophobicContact CG2-CB 4.42Å; T743-E787 HydrophobicContact CG2-CG 3.87Å
744Q91.3Very high90.2Very high125 Ų12542.2 Ų42.258%0.58422%0.221SC*.Hα-helixtrans-68.2-40.9177.8-170.2-175.74.500111.6F699 V741 A742 A748F699-Q744 HydrophobicContact CE1-CG 4.19Å; F699-Q744 HydrophobicContact CZ-CB 4.14Å; F699-Q744 HydrophobicContact CZ-CG 3.71Å; V741-Q744 PolarHBondContact O-N 3.04Å; V741-Q744 VanDerWaalsContact O-N 3.13Å; A742-Q744 PolarHBondContact O-N 3.1Å; Q744-A748 WeakPolarHBondContact O-CB 3.23Å; Q744-A748 PolarHBondContact O-N 3.35Å; Q744-A748 VanDerWaalsContact O-N 3.12Å
745M93.8Very high90.2Very high0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-61.6-45.6174.5-71.6169.463.700111.4A694 F698 F699 M733 A736 V741 A742 A748 L749A694-M745 HydrophobicContact CB-SD 4.09Å; F698-M745 HydrophobicContact CB-CE 3.64Å; F698-M745 HydrophobicContact CB-CG 4.26Å; F698-M745 HydrophobicContact CB-SD 4.26Å; F698-M745 HydrophobicContact CD1-CB 4.05Å; F698-M745 HydrophobicContact CD1-CE 4.33Å; F698-M745 HydrophobicContact CD1-CG 3.63Å; F698-M745 HydrophobicContact CD2-CE 3.43Å; F698-M745 VanDerWaalsContact CD2-CE 3.43Å; F698-M745 HydrophobicContact CD2-CG 4.38Å; F698-M745 HydrophobicContact CE1-CB 3.97Å; F698-M745 HydrophobicContact CE1-CG 4.08Å; F698-M745 HydrophobicContact CE2-CB 4.42Å; F698-M745 HydrophobicContact CE2-CE 4.19Å; F698-M745 HydrophobicContact CG-CB 4.33Å; F698-M745 HydrophobicContact CG-CE 3.53Å; F698-M745 HydrophobicContact CG-CG 3.82Å; F698-M745 HydrophobicContact CG-SD 4.28Å; F698-M745 HydrophobicContact CZ-CB 4.19Å; F698-M745 WeakPolarHBondContact CZ-O 3.4Å; F699-M745 HydrophobicContact CE1-CG 4.5Å; F699-M745 HydrophobicContact CE2-CG 4.24Å; F699-M745 HydrophobicContact CZ-CG 3.89Å; M733-M745 HydrophobicContact SD-CB 3.78Å; M733-M745 HydrophobicContact SD-CE 4.45Å; A736-M745 HydrophobicContact CB-CE 3.89Å; A736-M745 HydrophobicContact CB-SD 4.04Å; V741-M745 HydrophobicContact CG1-SD 3.7Å; V741-M745 HydrophobicContact CG2-CG 4.17Å; V741-M745 HydrophobicContact CG2-SD 4.35Å; V741-M745 WeakPolarHBondContact O-CG 3.4Å; V741-M745 PolarHBondContact O-N 3.35Å; A742-M745 PolarHBondContact O-N 3.08Å; M745-A748 PolarHBondContact O-N 3.34Å; M745-L749 VanDerWaalsContact O-CB 3.27Å; M745-L749 WeakPolarHBondContact O-CB 3.41Å; M745-L749 PolarHBondContact O-N 2.87Å
746G91.6Very high90.3Very high0 Ų041.5 Ų41.50%023%0.231CC..Hα-helixtrans-63.5-42.5-178.500000112.7A742 T743 L749 L750A742-G746 PolarHBondContact O-N 3.29Å; T743-G746 PolarHBondContact O-N 3.49Å; G746-L749 PolarHBondContact O-N 3.2Å; G746-L750 WeakPolarHBondContact O-CB 3.43Å; G746-L750 PolarHBondContact O-N 2.86Å
747R91.2Very high90.4Very high126 Ų12644.4 Ų44.448%0.47524%0.242SC..Hα-helixtrans-61.5-51.1173.8-178.3175.3174.81780.3112.1T743 L749 L750 D751 E787 L788T743-R747 PolarHBondContact O-N 3.4Å; T743-R747 VanDerWaalsContact O-N 3.1Å; R747-L749 VanDerWaalsContact C-N 3.29Å; R747-L749 PolarHBondContact O-N 3.04Å; R747-L750 PolarHBondContact O-N 2.99Å; R747-D751 PolarHBondContact O-N 2.99Å; R747-E787 IonicContact NH1-OE2 2.86Å; R747-L788 HydrophobicContact CB-CD2 4.19Å; R747-L788 HydrophobicContact CG-CD2 4.14Å
748A93.1Very high90.7Very high25 Ų2549.4 Ų49.421%0.20726%0.256CS..Hα-helixtrans-62.9-37179.900000112.2F698 F699 L702 Q744 M745 F752F698-A748 HydrophobicContact CE1-CB 4.38Å; F699-A748 HydrophobicContact CE1-CB 4.23Å; L702-A748 HydrophobicContact CD2-CB 3.58Å; Q744-A748 WeakPolarHBondContact O-CB 3.23Å; Q744-A748 PolarHBondContact O-N 3.35Å; Q744-A748 VanDerWaalsContact O-N 3.12Å; M745-A748 PolarHBondContact O-N 3.34Å; A748-F752 PolarHBondContact O-N 3.49Å; A748-F752 VanDerWaalsContact O-N 3.16Å
749L94.3Very high91.3Very high0 Ų043.7 Ų43.70%023%0.225CC..Hα-helixtrans-66.2-43.6175.4-16951.4000111.6F698 L729 M733 M745 G746 R747 F752 V753 A771 I775F698-L749 HydrophobicContact CE2-CB 4.43Å; F698-L749 HydrophobicContact CE2-CD1 4.41Å; F698-L749 HydrophobicContact CE2-CD2 4.3Å; F698-L749 HydrophobicContact CZ-CB 3.86Å; F698-L749 HydrophobicContact CZ-CD1 4.27Å; F698-L749 HydrophobicContact CZ-CG 4.45Å; L729-L749 HydrophobicContact CB-CD1 3.7Å; L729-L749 HydrophobicContact CD1-CD1 4.22Å; M733-L749 HydrophobicContact CB-CD2 4.03Å; M733-L749 HydrophobicContact CG-CD2 4.37Å; M745-L749 VanDerWaalsContact O-CB 3.27Å; M745-L749 WeakPolarHBondContact O-CB 3.41Å; M745-L749 PolarHBondContact O-N 2.87Å; G746-L749 PolarHBondContact O-N 3.2Å; R747-L749 VanDerWaalsContact C-N 3.29Å; R747-L749 PolarHBondContact O-N 3.04Å; L749-F752 HydrophobicContact CD1-CD1 4.39Å; L749-F752 PolarHBondContact O-N 3.11Å; L749-V753 HydrophobicContact CD1-CG2 3.96Å; L749-V753 HydrophobicContact CG-CG2 4.23Å; L749-V753 VanDerWaalsContact O-CB 3.28Å; L749-V753 WeakPolarHBondContact O-CB 3.49Å; L749-V753 WeakPolarHBondContact O-CG2 3.39Å; L749-V753 PolarHBondContact O-N 3.14Å; L749-A771 HydrophobicContact CD1-CB 4.32Å; L749-A771 HydrophobicContact CD2-CB 4.01Å; L749-A771 HydrophobicContact CG-CB 4.18Å; L749-I775 HydrophobicContact CB-CD1 3.91Å; L749-I775 HydrophobicContact CB-CG1 4.34Å; L749-I775 HydrophobicContact CD2-CD1 4.09Å; L749-I775 HydrophobicContact CD2-CG1 3.95Å; L749-I775 HydrophobicContact CG-CD1 3.95Å; L749-I775 HydrophobicContact CG-CG1 4.35Å
750L91.9Very high91.5Very high1 Ų149.2 Ų49.21%0.00526%0.257CS..Hα-helixtrans-63.8-45.5179.6-16957.7000110.8G746 R747 F752 V753 W754 V772 I775 L788 Q791G746-L750 WeakPolarHBondContact O-CB 3.43Å; G746-L750 PolarHBondContact O-N 2.86Å; R747-L750 PolarHBondContact O-N 2.99Å; L750-F752 VanDerWaalsContact C-N 3.33Å; L750-F752 PolarHBondContact O-N 2.98Å; L750-V753 PolarHBondContact O-N 2.88Å; L750-W754 VanDerWaalsContact O-CB 3.24Å; L750-W754 WeakPolarHBondContact O-CB 3.48Å; L750-W754 PolarHBondContact O-N 3.37Å; L750-V772 HydrophobicContact CD1-CG2 4.2Å; L750-I775 HydrophobicContact CB-CD1 3.96Å; L750-I775 HydrophobicContact CD1-CD1 4.32Å; L750-L788 HydrophobicContact CD2-CD1 3.94Å; L750-L788 HydrophobicContact CD2-CD2 4.08Å; L750-L788 HydrophobicContact CD2-CG 4.44Å; L750-Q791 HydrophobicContact CD2-CB 4.13Å; L750-Q791 VanDerWaalsContact CD2-OE1 3.32Å
751D91.3Very high91.8Very high72 Ų7245.6 Ų45.639%0.38523%0.231SC..Hα-helixtrans-57.5-44.6176.9-71.8-26.8000111.8R747 W754 A755 Q791R747-D751 PolarHBondContact O-N 2.99Å; D751-W754 WeakPolarHBondContact O-CB 3.33Å; D751-A755 PolarHBondContact O-N 3.06Å; D751-Q791 PolarHBondContact OD1-NE2 3.38Å
752F93.1Very high91.7Very high3 Ų347.5 Ų47.51%0.01324%0.239CC..Hα-helixtrans-65.5-50.3177.3169.6-130.8000112.4L702 Y705 L722 I726 L729 A748 L749 L750 W754 A755L702-F752 HydrophobicContact CD1-CB 3.74Å; L702-F752 HydrophobicContact CD1-CD1 3.41Å; L702-F752 VanDerWaalsContact CD1-CD1 3.41Å; L702-F752 HydrophobicContact CD1-CD2 4.43Å; L702-F752 HydrophobicContact CD1-CE1 4.08Å; L702-F752 HydrophobicContact CD1-CG 3.61Å; Y705-F752 HydrophobicContact CD1-CD2 4.02Å; Y705-F752 HydrophobicContact CD1-CE2 4.07Å; Y705-F752 AromaticContact CD2-CD2 3.72Å; Y705-F752 HydrophobicContact CD2-CD2 3.72Å; Y705-F752 AromaticContact CD2-CE2 3.31Å; Y705-F752 HydrophobicContact CD2-CE2 3.31Å; Y705-F752 HydrophobicContact CD2-CZ 4.27Å; Y705-F752 AromaticContact CE1-CD2 3.83Å; Y705-F752 HydrophobicContact CE1-CD2 3.83Å; Y705-F752 HydrophobicContact CE1-CE2 4.31Å; Y705-F752 HydrophobicContact CE1-CG 4.45Å; Y705-F752 AromaticContact CE2-CD2 3.5Å; Y705-F752 HydrophobicContact CE2-CD2 3.5Å; Y705-F752 AromaticContact CE2-CE2 3.57Å; Y705-F752 HydrophobicContact CE2-CE2 3.57Å; Y705-F752 AromaticContact CG-CD2 3.98Å; Y705-F752 HydrophobicContact CG-CD2 3.98Å; Y705-F752 AromaticContact CG-CE2 3.59Å; Y705-F752 HydrophobicContact CG-CE2 3.59Å; Y705-F752 HydrophobicContact CG-CZ 4.22Å; Y705-F752 AromaticContact CZ-CD2 3.57Å; L722-F752 HydrophobicContact CD1-CZ 3.9Å; I726-F752 HydrophobicContact CD1-CE1 4.45Å; I726-F752 HydrophobicContact CD1-CZ 4.4Å; I726-F752 HydrophobicContact CG1-CE1 3.55Å; I726-F752 HydrophobicContact CG1-CZ 3.87Å; L729-F752 HydrophobicContact CD1-CD1 4.11Å; L729-F752 HydrophobicContact CD1-CE1 3.88Å; A748-F752 PolarHBondContact O-N 3.49Å; A748-F752 VanDerWaalsContact O-N 3.16Å; L749-F752 HydrophobicContact CD1-CD1 4.39Å; L749-F752 PolarHBondContact O-N 3.11Å; L750-F752 VanDerWaalsContact C-N 3.33Å; L750-F752 PolarHBondContact O-N 2.98Å; F752-W754 PolarHBondContact O-N 3.31Å; F752-A755 WeakPolarHBondContact O-CB 3.38Å; F752-A755 PolarHBondContact O-N 3.2Å; F752-A755 VanDerWaalsContact O-N 3.1Å
753V93.3Very high91.6Very high2 Ų247.9 Ų47.91%0.01224%0.24CC..Hα-helixtrans-62.9-33.1-179.5170.30000111I726 L749 L750 A755 V756 R757 V768 A771 V772I726-V753 HydrophobicContact CG2-CG2 4.03Å; L749-V753 HydrophobicContact CD1-CG2 3.96Å; L749-V753 HydrophobicContact CG-CG2 4.23Å; L749-V753 VanDerWaalsContact O-CB 3.28Å; L749-V753 WeakPolarHBondContact O-CB 3.49Å; L749-V753 WeakPolarHBondContact O-CG2 3.39Å; L749-V753 PolarHBondContact O-N 3.14Å; L750-V753 PolarHBondContact O-N 2.88Å; V753-A755 VanDerWaalsContact C-N 3.3Å; V753-A755 PolarHBondContact O-N 3.33Å; V753-V756 PolarHBondContact O-N 3.02Å; V753-R757 PolarHBondContact O-N 2.94Å; V753-V768 HydrophobicContact CG1-CB 3.75Å; V753-V768 HydrophobicContact CG1-CG1 3.19Å; V753-V768 HydrophobicContact CG1-CG2 3.94Å; V753-A771 HydrophobicContact CG2-CB 3.82Å; V753-V772 HydrophobicContact CG1-CG2 3.93Å
754W91.6Very high91.7Very high46 Ų4646.4 Ų46.417%0.17423%0.231CC..Hα-helixtrans-59.3-40.7175-159.2-113.6000111.8L750 D751 F752 V756 R757 E794 T795 W798L750-W754 VanDerWaalsContact O-CB 3.24Å; L750-W754 WeakPolarHBondContact O-CB 3.48Å; L750-W754 PolarHBondContact O-N 3.37Å; D751-W754 WeakPolarHBondContact O-CB 3.33Å; F752-W754 PolarHBondContact O-N 3.31Å; W754-V756 VanDerWaalsContact C-N 3.27Å; W754-V756 PolarHBondContact O-N 2.83Å; W754-R757 VanDerWaalsContact CD1-NH1 3.34Å; W754-R757 WeakPolarHBondContact O-CD 3.45Å; W754-R757 WeakPolarHBondContact O-CG 3.49Å; W754-R757 PolarHBondContact O-NH1 3.17Å; W754-E794 HydrophobicContact CH2-CB 3.59Å; W754-E794 HydrophobicContact CZ2-CB 3.74Å; W754-E794 VanDerWaalsContact CZ2-OE2 3.29Å; W754-E794 WeakPolarHBondContact CZ2-OE2 3.2Å; W754-T795 WeakPolarHBondContact CZ3-OG1 3Å; W754-W798 HydrophobicContact CZ3-CE3 4.33Å
755A90.5Very high91.8Very high75 Ų7541.9 Ų41.962%0.6221%0.209SC*.Hα-helixtrans-65.1-28.6179.800000113.3D751 F752 V753D751-A755 PolarHBondContact O-N 3.06Å; F752-A755 WeakPolarHBondContact O-CB 3.38Å; F752-A755 PolarHBondContact O-N 3.2Å; F752-A755 VanDerWaalsContact O-N 3.1Å; V753-A755 VanDerWaalsContact C-N 3.3Å; V753-A755 PolarHBondContact O-N 3.33Å
756V91.8Very high91.5Very high12 Ų1242.5 Ų42.57%0.07321%0.211CC..Hα-helixtrans-112.210.3-174.5-63.70000113.9L715 I726 V753 W754 Y758 H759 V768L715-V756 HydrophobicContact CD2-CG1 3.82Å; I726-V756 HydrophobicContact CD1-CG2 3.93Å; V753-V756 PolarHBondContact O-N 3.02Å; W754-V756 VanDerWaalsContact C-N 3.27Å; W754-V756 PolarHBondContact O-N 2.83Å; V756-Y758 VanDerWaalsContact C-N 3.28Å; V756-Y758 PolarHBondContact O-N 3.46Å; V756-H759 WeakPolarHBondContact O-CB 3.24Å; V756-H759 PolarHBondContact O-N 3.12Å; V756-V768 HydrophobicContact CG2-CG2 3.81Å
757R91.9Very high91.5Very high60 Ų6042.5 Ų42.523%0.22621%0.211CC..THydrogen-bonded Turntrans-62.7-26.3-171.873.2-171.4-177.2-87.28.6115.7V753 W754 V768 W798V753-R757 PolarHBondContact O-N 2.94Å; W754-R757 VanDerWaalsContact CD1-NH1 3.34Å; W754-R757 WeakPolarHBondContact O-CD 3.45Å; W754-R757 WeakPolarHBondContact O-CG 3.49Å; W754-R757 PolarHBondContact O-NH1 3.17Å; R757-V768 HydrophobicContact CB-CG1 4.21Å; R757-W798 HydrophobicContact CB-CH2 4.22Å; R757-W798 HydrophobicContact CB-CZ2 3.66Å; R757-W798 HydrophobicContact CG-CZ2 4.48Å
758Y90.6Very high91.6Very high154 Ų15436.5 Ų36.560%0.60419%0.189SC*.THydrogen-bonded Turntrans-104.235.9178.4-64.7-63000112.7V756 W798V756-Y758 VanDerWaalsContact C-N 3.28Å; V756-Y758 PolarHBondContact O-N 3.46Å; Y758-W798 AromaticContact CE1-CD1 3.7Å; Y758-W798 AromaticContact CE1-NE1 3.64Å; Y758-W798 AromaticContact CZ-CD1 3.64Å; Y758-W798 AromaticContact CZ-NE1 3.93Å
759H93.7Very high91.6Very high28 Ų2835.4 Ų35.413%0.1318%0.179CC..  trans-67.7142.4-178.7-163.3-87.6000112.4H719 V756 D761 V764 R765H719-H759 AromaticContact CD2-CE1 3.3Å; H719-H759 PolarHBondContact CD2-CE1 3.42Å; H719-H759 AromaticContact CD2-NE2 3.4Å; H719-H759 PolarHBondContact CD2-NE2 3.44Å; H719-H759 AromaticContact CE1-CE1 3.86Å; H719-H759 AromaticContact CG-CE1 3.5Å; H719-H759 AromaticContact ND1-CE1 3.84Å; H719-H759 AromaticContact NE2-CE1 3.53Å; H719-H759 AromaticContact NE2-NE2 3.62Å; V756-H759 WeakPolarHBondContact O-CB 3.24Å; V756-H759 PolarHBondContact O-N 3.12Å; H759-D761 VanDerWaalsContact C-N 3.32Å; H759-D761 VanDerWaalsContact CE1-CB 3.46Å; H759-D761 WeakPolarHBondContact CE1-CB 3.45Å; H759-D761 VanDerWaalsContact ND1-CB 3.28Å; H759-D761 WeakPolarHBondContact ND1-CB 3.39Å; H759-D761 PolarHBondContact ND1-N 2.68Å; H759-D761 PolarHBondContact O-N 2.84Å; H759-V764 HydrophobicContact CB-CB 3.96Å; H759-V764 HydrophobicContact CB-CG1 3.64Å; H759-R765 HydrophobicContact CB-CG 4.34Å; H759-R765 WeakPolarHBondContact O-CD 3.44Å; H759-R765 VanDerWaalsContact O-CG 3.23Å; H759-R765 WeakPolarHBondContact O-CG 3.18Å; H759-R765 PolarHBondContact O-NH1 2.98Å
760V90.6Very high91.5Very high122 Ų12237.6 Ų37.674%0.73919%0.189SC*.SBendtrans-65.1-36.8-178.8-65.40000112.5R765V760-R765 PolarHBondContact O-NH1 3.41Å
761D91.6Very high91.5Very high46 Ų4637.5 Ų37.525%0.24619%0.188CC..SBendtrans-77.2127.9179.1-168.8-77.2000112.4H719 H759 M763 V764 R765H719-D761 HydrophobicContact CB-CB 4.03Å; H759-D761 VanDerWaalsContact C-N 3.32Å; H759-D761 VanDerWaalsContact CE1-CB 3.46Å; H759-D761 WeakPolarHBondContact CE1-CB 3.45Å; H759-D761 VanDerWaalsContact ND1-CB 3.28Å; H759-D761 WeakPolarHBondContact ND1-CB 3.39Å; H759-D761 PolarHBondContact ND1-N 2.68Å; H759-D761 PolarHBondContact O-N 2.84Å; D761-M763 VanDerWaalsContact C-N 3.29Å; D761-M763 PolarHBondContact O-N 3.1Å; D761-M763 WeakPolarHBondContact OD1-CA 3.5Å; D761-M763 WeakPolarHBondContact OD1-CB 3.44Å; D761-M763 WeakPolarHBondContact OD1-CG 3.2Å; D761-M763 PolarHBondContact OD1-N 3.19Å; D761-V764 HydrophobicContact CB-CG2 4.11Å; D761-V764 PolarHBondContact O-N 3.39Å; D761-V764 PolarHBondContact OD1-N 3.31Å; D761-R765 PolarHBondContact O-N 3.34Å
762Q89.2Confident91.5Very high70 Ų7034.1 Ų34.133%0.32717%0.17SC..Hα-helixtrans-63.7-30.9-178.569.3-175.326.700113.5V764 R765 R766Q762-V764 VanDerWaalsContact C-N 3.34Å; Q762-R765 PolarHBondContact O-N 3.49Å; Q762-R766 WeakPolarHBondContact O-CB 3.1Å; Q762-R766 VanDerWaalsContact O-CG 3.24Å; Q762-R766 WeakPolarHBondContact O-CG 3.21Å; Q762-R766 PolarHBondContact O-N 3.28Å
763M86.3Confident91.3Very high7 Ų734.3 Ų34.33%0.03417%0.172CC..Hα-helixtrans-68.9-40.2-176.9-47-77.3-86.200110.1L650 Y651 L720 D761 G767L650-M763 VanDerWaalsContact C-SD 3.55Å; L650-M763 HydrophobicContact CB-CE 3.07Å; L650-M763 HydrophobicContact CB-SD 3.53Å; L650-M763 VanDerWaalsContact CB-SD 3.53Å; L650-M763 HydrophobicContact CD1-CE 4.34Å; L650-M763 HydrophobicContact CD2-CB 4.34Å; L650-M763 HydrophobicContact CD2-CE 4.4Å; L650-M763 HydrophobicContact CD2-SD 4.25Å; L650-M763 HydrophobicContact CG-CE 4.12Å; L650-M763 HydrophobicContact CG-SD 4.49Å; Y651-M763 HydrophobicContact CD1-CE 4.48Å; Y651-M763 HydrophobicContact CD2-CE 3.88Å; Y651-M763 HydrophobicContact CE1-CE 4.19Å; Y651-M763 HydrophobicContact CE2-CE 3.54Å; Y651-M763 HydrophobicContact CG-CE 4.33Å; L720-M763 HydrophobicContact CD1-CE 4.34Å; D761-M763 VanDerWaalsContact C-N 3.29Å; D761-M763 PolarHBondContact O-N 3.1Å; D761-M763 WeakPolarHBondContact OD1-CA 3.5Å; D761-M763 WeakPolarHBondContact OD1-CB 3.44Å; D761-M763 WeakPolarHBondContact OD1-CG 3.2Å; D761-M763 PolarHBondContact OD1-N 3.19Å; M763-G767 PolarHBondContact O-N 3.33Å
764V92.3Very high91Very high0 Ų034.3 Ų34.30%017%0.172CC..Hα-helixtrans-65.2-48.4175.2-178.90000109.5H719 L722 I726 H759 D761 Q762 R766 G767 V768H719-V764 HydrophobicContact CB-CG2 4.13Å; H719-V764 WeakPolarHBondContact O-CG2 3.31Å; L722-V764 HydrophobicContact CD2-CG1 3.9Å; L722-V764 HydrophobicContact CD2-CG2 4.18Å; L722-V764 HydrophobicContact CG-CG1 4.29Å; L722-V764 HydrophobicContact CG-CG2 4.4Å; I726-V764 HydrophobicContact CD1-CG1 3.8Å; H759-V764 HydrophobicContact CB-CB 3.96Å; H759-V764 HydrophobicContact CB-CG1 3.64Å; D761-V764 HydrophobicContact CB-CG2 4.11Å; D761-V764 PolarHBondContact O-N 3.39Å; D761-V764 PolarHBondContact OD1-N 3.31Å; Q762-V764 VanDerWaalsContact C-N 3.34Å; V764-R766 PolarHBondContact O-N 3.36Å; V764-G767 PolarHBondContact O-N 3Å; V764-G767 VanDerWaalsContact O-N 3.12Å; V764-V768 HydrophobicContact CG1-CG2 4.42Å; V764-V768 VanDerWaalsContact O-CG2 3.26Å; V764-V768 WeakPolarHBondContact O-CG2 3.31Å; V764-V768 PolarHBondContact O-N 3.47Å
765R93.3Very high91Very high30 Ų3032.1 Ų32.111%0.11316%0.164CC..Hα-helixtrans-59.7-41.3176.9-64-159.4-55.4-75.1-1.4113.2H759 V760 D761 Q762 V768 L769 D806H759-R765 HydrophobicContact CB-CG 4.34Å; H759-R765 WeakPolarHBondContact O-CD 3.44Å; H759-R765 VanDerWaalsContact O-CG 3.23Å; H759-R765 WeakPolarHBondContact O-CG 3.18Å; H759-R765 PolarHBondContact O-NH1 2.98Å; V760-R765 PolarHBondContact O-NH1 3.41Å; D761-R765 PolarHBondContact O-N 3.34Å; Q762-R765 PolarHBondContact O-N 3.49Å; R765-V768 WeakPolarHBondContact O-CB 3.3Å; R765-V768 PolarHBondContact O-N 3.28Å; R765-L769 WeakPolarHBondContact O-CG 3.39Å; R765-L769 PolarHBondContact O-N 3.24Å; R765-D806 IonicContact CZ-OD1 3.63Å; R765-D806 IonicContact CZ-OD2 3.53Å; R765-D806 IonicContact NE-OD1 3.9Å; R765-D806 IonicContact NE-OD2 2.69Å; R765-D806 PolarHBondContact NE-OD2 3.44Å; R765-D806 IonicContact NH2-OD1 2.61Å; R765-D806 PolarHBondContact NH2-OD1 2.98Å; R765-D806 VanDerWaalsContact NH2-OD1 3.11Å; R765-D806 IonicContact NH2-OD2 2.69Å
766R89.1Confident90.8Very high14 Ų1429.1 Ų29.15%0.05314%0.137CC..Hα-helixtrans-60.3-45.3173-72.8170.9178.5-155.3-9.5111.8L650 Q762 V764 L769 F770 D808 D810 C811L650-R766 HydrophobicContact CD2-CB 4.24Å; L650-R766 PolarHBondContact O-NH1 2.98Å; Q762-R766 WeakPolarHBondContact O-CB 3.1Å; Q762-R766 VanDerWaalsContact O-CG 3.24Å; Q762-R766 WeakPolarHBondContact O-CG 3.21Å; Q762-R766 PolarHBondContact O-N 3.28Å; V764-R766 PolarHBondContact O-N 3.36Å; R766-L769 PolarHBondContact O-N 3.41Å; R766-F770 WeakPolarHBondContact O-CB 3.23Å; R766-F770 PolarHBondContact O-N 3.3Å; R766-D808 IonicContact CZ-OD1 3.99Å; R766-D808 IonicContact CZ-OD2 2.67Å; R766-D808 IonicContact NE-OD1 2.65Å; R766-D808 IonicContact NE-OD2 3.47Å; R766-D808 PolarHBondContact NE-OD2 3.27Å; R766-D808 VanDerWaalsContact NH2-CG 3.27Å; R766-D808 IonicContact NH2-OD1 3.15Å; R766-D808 PolarHBondContact NH2-OD1 3.38Å; R766-D808 IonicContact NH2-OD2 3.73Å; R766-D808 PolarHBondContact NH2-OD2 3.38Å; R766-D808 VanDerWaalsContact NH2-OD2 3.13Å; R766-D810 IonicContact CZ-OD2 3.57Å; R766-D810 IonicContact NH1-OD2 3.93Å; R766-D810 PolarHBondContact NH1-OD2 2.82Å; R766-D810 IonicContact NH2-OD2 2.93Å; R766-D810 PolarHBondContact NH2-OD2 2.91Å; R766-C811 VanDerWaalsContact CG-SG 3.51Å
767G90Very high90.5Very high0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-60.3-44.317600000112.6I726 M763 V764 F770 A771I726-G767 VanDerWaalsContact CG2-C 3.42Å; I726-G767 WeakPolarHBondContact CG2-O 3.25Å; M763-G767 PolarHBondContact O-N 3.33Å; V764-G767 PolarHBondContact O-N 3Å; V764-G767 VanDerWaalsContact O-N 3.12Å; G767-F770 PolarHBondContact O-N 3.48Å; G767-A771 WeakPolarHBondContact O-CB 3.42Å; G767-A771 PolarHBondContact O-N 3.3Å
768V94.3Very high90.2Very high0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-55.8-52.6175.2160.20000110.8I726 V753 V756 R757 V764 R765 F770 A771 V772 W798I726-V768 HydrophobicContact CD1-CG2 4.08Å; I726-V768 HydrophobicContact CG2-CG2 4.37Å; V753-V768 HydrophobicContact CG1-CB 3.75Å; V753-V768 HydrophobicContact CG1-CG1 3.19Å; V753-V768 HydrophobicContact CG1-CG2 3.94Å; V756-V768 HydrophobicContact CG2-CG2 3.81Å; R757-V768 HydrophobicContact CB-CG1 4.21Å; V764-V768 HydrophobicContact CG1-CG2 4.42Å; V764-V768 VanDerWaalsContact O-CG2 3.26Å; V764-V768 WeakPolarHBondContact O-CG2 3.31Å; V764-V768 PolarHBondContact O-N 3.47Å; R765-V768 WeakPolarHBondContact O-CB 3.3Å; R765-V768 PolarHBondContact O-N 3.28Å; V768-F770 VanDerWaalsContact C-N 3.33Å; V768-F770 PolarHBondContact O-N 2.84Å; V768-A771 WeakPolarHBondContact O-CB 3.31Å; V768-A771 PolarHBondContact O-N 2.88Å; V768-V772 WeakPolarHBondContact O-CG2 3.29Å; V768-V772 PolarHBondContact O-N 3.23Å; V768-W798 HydrophobicContact CG1-CH2 3.54Å; V768-W798 HydrophobicContact CG1-CZ2 3.97Å
769L92.1Very high90Very high1 Ų123.3 Ų23.31%0.00512%0.12CC..Hα-helixtrans-65.5-36.9-179.2-67.7164.2000112.4R765 R766 V772 C773 W798 L799 V802 C811 L814 A815R765-L769 WeakPolarHBondContact O-CG 3.39Å; R765-L769 PolarHBondContact O-N 3.24Å; R766-L769 PolarHBondContact O-N 3.41Å; L769-V772 PolarHBondContact O-N 3.01Å; L769-C773 PolarHBondContact O-N 2.66Å; L769-C773 PolarHBondContact O-SG 3.3Å; L769-W798 HydrophobicContact CD2-CH2 3.6Å; L769-W798 HydrophobicContact CD2-CZ2 4.1Å; L769-W798 HydrophobicContact CD2-CZ3 4.18Å; L769-W798 HydrophobicContact CG-CH2 4.34Å; L769-L799 HydrophobicContact CD2-CD2 3.54Å; L769-V802 HydrophobicContact CD1-CG1 3.91Å; L769-V802 HydrophobicContact CD2-CG1 4.17Å; L769-C811 HydrophobicContact CD1-CB 3.64Å; L769-C811 WeakPolarHBondContact CD1-O 3.49Å; L769-L814 HydrophobicContact CB-CB 3.85Å; L769-L814 HydrophobicContact CB-CD1 4.28Å; L769-L814 HydrophobicContact CD1-CB 4.42Å; L769-A815 HydrophobicContact CD2-CB 4.17Å
770F92.1Very high89.5Confident46 Ų4624.4 Ų24.420%0.20213%0.129CC..Hα-helixtrans-65-40.7173.9176.2-96.3000112.3H727 L731 R766 G767 V768 C773 S774H727-F770 AromaticContact CD2-CD1 3.9Å; H727-F770 AromaticContact CE1-CE1 3.96Å; L731-F770 HydrophobicContact CD2-CE1 4.2Å; L731-F770 HydrophobicContact CD2-CZ 3.81Å; L731-F770 HydrophobicContact CG-CE1 3.9Å; L731-F770 HydrophobicContact CG-CZ 4.04Å; R766-F770 WeakPolarHBondContact O-CB 3.23Å; R766-F770 PolarHBondContact O-N 3.3Å; G767-F770 PolarHBondContact O-N 3.48Å; V768-F770 VanDerWaalsContact C-N 3.33Å; V768-F770 PolarHBondContact O-N 2.84Å; F770-C773 WeakPolarHBondContact O-CB 3.49Å; F770-C773 PolarHBondContact O-N 3.37Å; F770-S774 WeakPolarHBondContact O-CB 3.43Å; F770-S774 PolarHBondContact O-N 2.9Å; F770-S774 PolarHBondContact O-OG 2.72Å
771A92.1Very high89Confident0 Ų019.8 Ų19.80%010%0.103CC..Hα-helixtrans-62.2-43.9175.200000111.1I726 L749 V753 G767 V768 S774 I775I726-A771 HydrophobicContact CG2-CB 3.97Å; L749-A771 HydrophobicContact CD1-CB 4.32Å; L749-A771 HydrophobicContact CD2-CB 4.01Å; L749-A771 HydrophobicContact CG-CB 4.18Å; V753-A771 HydrophobicContact CG2-CB 3.82Å; G767-A771 WeakPolarHBondContact O-CB 3.42Å; G767-A771 PolarHBondContact O-N 3.3Å; V768-A771 WeakPolarHBondContact O-CB 3.31Å; V768-A771 PolarHBondContact O-N 2.88Å; A771-S774 WeakPolarHBondContact O-CB 3.44Å; A771-S774 PolarHBondContact O-N 2.91Å; A771-S774 VanDerWaalsContact O-N 3.11Å; A771-I775 VanDerWaalsContact O-CG1 3.32Å; A771-I775 WeakPolarHBondContact O-CG1 3.33Å; A771-I775 PolarHBondContact O-N 2.68Å
772V91.7Very high88.4Confident0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-61.3-45.9175174.20000111.9L750 V753 V768 L769 S774 I775 F776 T795 W798 L799L750-V772 HydrophobicContact CD1-CG2 4.2Å; V753-V772 HydrophobicContact CG1-CG2 3.93Å; V768-V772 WeakPolarHBondContact O-CG2 3.29Å; V768-V772 PolarHBondContact O-N 3.23Å; L769-V772 PolarHBondContact O-N 3.01Å; V772-S774 VanDerWaalsContact C-N 3.26Å; V772-S774 PolarHBondContact O-N 3.5Å; V772-I775 PolarHBondContact O-N 2.83Å; V772-F776 HydrophobicContact CG1-CD2 4.14Å; V772-F776 HydrophobicContact CG1-CE1 4.41Å; V772-F776 HydrophobicContact CG1-CE2 3.54Å; V772-F776 HydrophobicContact CG1-CZ 3.7Å; V772-F776 WeakPolarHBondContact O-CG 3.35Å; V772-F776 PolarHBondContact O-N 3.14Å; V772-F776 VanDerWaalsContact O-N 3.14Å; V772-T795 HydrophobicContact CG1-CG2 4.07Å; V772-W798 HydrophobicContact CG2-CZ3 4.19Å; V772-L799 HydrophobicContact CG1-CD1 4.32Å
773C88.8Confident88Confident8 Ų821.3 Ų21.35%0.05411%0.112CC..Hα-helixtrans-52.9-46.4170.9-77.70000111.7L769 F770 I775 F776 L777 S818L769-C773 PolarHBondContact O-N 2.66Å; L769-C773 PolarHBondContact O-SG 3.3Å; F770-C773 WeakPolarHBondContact O-CB 3.49Å; F770-C773 PolarHBondContact O-N 3.37Å; C773-I775 VanDerWaalsContact C-N 3.33Å; C773-I775 PolarHBondContact O-N 3.31Å; C773-F776 PolarHBondContact O-N 3.3Å; C773-L777 WeakPolarHBondContact O-CG 3.39Å; C773-L777 PolarHBondContact O-N 3.13Å; C773-S818 PolarHBondContact SG-OG 3.14Å
774S88.4Confident87.8Confident2 Ų221 Ų211%0.01411%0.111CC..Hα-helixtrans-66-35.7-176.3-58.70000112G730 F770 A771 V772 L777 S778G730-S774 WeakPolarHBondContact O-CB 3.23Å; G730-S774 PolarHBondContact O-OG 3.4Å; F770-S774 WeakPolarHBondContact O-CB 3.43Å; F770-S774 PolarHBondContact O-N 2.9Å; F770-S774 PolarHBondContact O-OG 2.72Å; A771-S774 WeakPolarHBondContact O-CB 3.44Å; A771-S774 PolarHBondContact O-N 2.91Å; A771-S774 VanDerWaalsContact O-N 3.11Å; V772-S774 VanDerWaalsContact C-N 3.26Å; V772-S774 PolarHBondContact O-N 3.5Å; S774-L777 PolarHBondContact O-N 2.98Å; S774-S778 VanDerWaalsContact O-CB 3.22Å; S774-S778 WeakPolarHBondContact O-CB 3.43Å; S774-S778 PolarHBondContact O-N 3.33Å; S774-S778 VanDerWaalsContact O-N 3.14Å; S774-S778 PolarHBondContact O-OG 3Å
775I90.1Very high87.1Confident0 Ų024 Ų240%013%0.126CC..Hα-helixtrans-61.2-51.1172.5-65.4165.9000110.1M733 L749 L750 A771 V772 C773 L777 S778 M779 L784 L788M733-I775 HydrophobicContact CG-CG1 4.37Å; L749-I775 HydrophobicContact CB-CD1 3.91Å; L749-I775 HydrophobicContact CB-CG1 4.34Å; L749-I775 HydrophobicContact CD2-CD1 4.09Å; L749-I775 HydrophobicContact CD2-CG1 3.95Å; L749-I775 HydrophobicContact CG-CD1 3.95Å; L749-I775 HydrophobicContact CG-CG1 4.35Å; L750-I775 HydrophobicContact CB-CD1 3.96Å; L750-I775 HydrophobicContact CD1-CD1 4.32Å; A771-I775 VanDerWaalsContact O-CG1 3.32Å; A771-I775 WeakPolarHBondContact O-CG1 3.33Å; A771-I775 PolarHBondContact O-N 2.68Å; V772-I775 PolarHBondContact O-N 2.83Å; C773-I775 VanDerWaalsContact C-N 3.33Å; C773-I775 PolarHBondContact O-N 3.31Å; I775-L777 VanDerWaalsContact C-N 3.27Å; I775-L777 PolarHBondContact O-N 3.03Å; I775-S778 PolarHBondContact O-N 3.33Å; I775-M779 HydrophobicContact CG2-CG 4.24Å; I775-M779 HydrophobicContact CG2-SD 3.61Å; I775-M779 WeakPolarHBondContact O-CB 3.5Å; I775-M779 PolarHBondContact O-N 2.82Å; I775-L784 HydrophobicContact CG2-CD1 4.28Å; I775-L788 HydrophobicContact CG2-CD1 4.39Å
776F87.6Confident86.5Confident12 Ų1227.8 Ų27.85%0.05315%0.152CC..Hα-helixtrans-64.6-29.1-178.9-63.6-20.2000113.7V772 C773 L784 L792 T795 L799 L821 L822V772-F776 HydrophobicContact CG1-CD2 4.14Å; V772-F776 HydrophobicContact CG1-CE1 4.41Å; V772-F776 HydrophobicContact CG1-CE2 3.54Å; V772-F776 HydrophobicContact CG1-CZ 3.7Å; V772-F776 WeakPolarHBondContact O-CG 3.35Å; V772-F776 PolarHBondContact O-N 3.14Å; V772-F776 VanDerWaalsContact O-N 3.14Å; C773-F776 PolarHBondContact O-N 3.3Å; F776-L784 HydrophobicContact CD1-CD1 3.84Å; F776-L784 HydrophobicContact CD1-CD2 4.16Å; F776-L784 HydrophobicContact CE1-CD1 4.25Å; F776-L792 HydrophobicContact CE1-CD2 3.62Å; F776-L792 HydrophobicContact CZ-CD2 4.13Å; F776-T795 HydrophobicContact CZ-CG2 3.99Å; F776-L799 HydrophobicContact CE2-CD1 4.02Å; F776-L821 HydrophobicContact CB-CB 4.31Å; F776-L822 HydrophobicContact CD2-CB 4.15Å; F776-L822 HydrophobicContact CE1-CD1 4.18Å; F776-L822 HydrophobicContact CE2-CB 3.97Å; F776-L822 HydrophobicContact CE2-CD1 4.39Å; F776-L822 HydrophobicContact CE2-CD2 4.43Å; F776-L822 HydrophobicContact CE2-CG 4.5Å; F776-L822 HydrophobicContact CZ-CB 4.48Å; F776-L822 HydrophobicContact CZ-CD1 4.08Å; F776-L822 HydrophobicContact CZ-CD2 4.35Å
777L85.5Confident85.9Confident89 Ų8931.6 Ų31.647%0.46617%0.171SC..Hα-helixtrans-78-28.8176.3-74.5171.2000113.7C773 S774 I775 L821C773-L777 WeakPolarHBondContact O-CG 3.39Å; C773-L777 PolarHBondContact O-N 3.13Å; S774-L777 PolarHBondContact O-N 2.98Å; I775-L777 VanDerWaalsContact C-N 3.27Å; I775-L777 PolarHBondContact O-N 3.03Å; L777-L821 HydrophobicContact CD1-CD1 4.2Å; L777-L821 HydrophobicContact CD2-CD1 3.86Å; L777-L821 HydrophobicContact CD2-CD2 3.57Å; L777-L821 HydrophobicContact CD2-CG 4.34Å; L777-L821 HydrophobicContact CG-CD1 3.8Å; L777-L821 HydrophobicContact CG-CD2 4.41Å
778S86.1Confident85.3Confident4 Ų431.7 Ų31.73%0.02817%0.171CC..Hα-helixtrans-111.1-24.5-162.8-43.60000113.7M733 H734 S774 I775M733-S778 WeakPolarHBondContact O-CB 3.27Å; M733-S778 PolarHBondContact O-OG 2.65Å; H734-S778 VanDerWaalsContact CA-OG 3.31Å; H734-S778 WeakPolarHBondContact CA-OG 3.45Å; S774-S778 VanDerWaalsContact O-CB 3.22Å; S774-S778 WeakPolarHBondContact O-CB 3.43Å; S774-S778 PolarHBondContact O-N 3.33Å; S774-S778 VanDerWaalsContact O-N 3.14Å; S774-S778 PolarHBondContact O-OG 3Å; I775-S778 PolarHBondContact O-N 3.33Å
779M85.7Confident84.4Confident11 Ų1134 Ų345%0.05419%0.187CC..SBendtrans-79139172-74.1-173.841.500111.6M733 T743 I775 L784 L788M733-M779 HydrophobicContact CE-CG 3.42Å; M733-M779 VanDerWaalsContact CE-CG 3.42Å; M733-M779 HydrophobicContact CE-SD 4.4Å; T743-M779 HydrophobicContact CG2-CE 4.33Å; I775-M779 HydrophobicContact CG2-CG 4.24Å; I775-M779 HydrophobicContact CG2-SD 3.61Å; I775-M779 WeakPolarHBondContact O-CB 3.5Å; I775-M779 PolarHBondContact O-N 2.82Å; M779-L784 HydrophobicContact CB-CD1 4.21Å; M779-L784 HydrophobicContact CE-CB 4.15Å; M779-L784 HydrophobicContact CE-CD1 3.86Å; M779-L784 HydrophobicContact SD-CD1 4.19Å; M779-L788 HydrophobicContact CE-CD1 3.79Å; M779-L788 HydrophobicContact CE-CG 4.38Å; M779-L788 HydrophobicContact SD-CD1 3.93Å
780P82.9Confident83.7Confident50 Ų5040.3 Ų40.333%0.32522%0.221SC..  trans-57.5139.9167.4-22.433.2000111.3Q782 S783 L784P780-Q782 VanDerWaalsContact C-N 3.27Å; P780-Q782 PolarHBondContact O-N 3.04Å; P780-S783 PolarHBondContact O-N 3.5Å; P780-S783 VanDerWaalsContact O-N 3.11Å; P780-L784 PolarHBondContact O-N 3.02Å
781S79.5Confident83.1Confident26 Ų2640.5 Ų40.518%0.18222%0.223CC..Hα-helixtrans-60.1-33.7-177.645.70000113.3L784 L785 E829S781-L784 PolarHBondContact O-N 3.13Å; S781-L785 PolarHBondContact O-N 3.43Å; S781-L785 VanDerWaalsContact O-N 3.16Å; S781-E829 VanDerWaalsContact CB-OE1 3.3Å; S781-E829 WeakPolarHBondContact CB-OE1 3.49Å; S781-E829 PolarHBondContact OG-OE1 3.01Å
782Q79.6Confident82.6Confident113 Ų11341 Ų4153%0.52823%0.226SC..Hα-helixtrans-62.9-48.9173.7-60.694.430.800111.8P780 L784 L785 V786 E829P780-Q782 VanDerWaalsContact C-N 3.27Å; P780-Q782 PolarHBondContact O-N 3.04Å; Q782-L784 VanDerWaalsContact C-N 3.33Å; Q782-L784 PolarHBondContact O-N 2.82Å; Q782-L785 PolarHBondContact O-N 2.83Å; Q782-V786 VanDerWaalsContact O-CG2 3.3Å; Q782-V786 WeakPolarHBondContact O-CG2 3.46Å; Q782-V786 PolarHBondContact O-N 3.13Å; Q782-E829 VanDerWaalsContact CD-OE1 3.28Å; Q782-E829 VanDerWaalsContact CG-OE1 3.3Å; Q782-E829 WeakPolarHBondContact CG-OE1 3.34Å; Q782-E829 PolarHBondContact N-OE1 3.06Å; Q782-E829 PolarHBondContact NE2-OE1 3.14Å
783S80.9Confident82.2Confident35 Ų3548.8 Ų48.825%0.24526%0.259CS..Hα-helixtrans-68.2-34.5-179.8-58.10000112P780 V786 E787P780-S783 PolarHBondContact O-N 3.5Å; P780-S783 VanDerWaalsContact O-N 3.11Å; S783-V786 PolarHBondContact O-N 3.01Å; S783-E787 VanDerWaalsContact O-CB 3.31Å; S783-E787 WeakPolarHBondContact O-CB 3.37Å; S783-E787 PolarHBondContact O-N 2.81Å
784L81.1Confident82.1Confident1 Ų153.7 Ų53.71%0.00528%0.282CS..Hα-helixtrans-59.1-47.1174.5-166.180.9000111.2I775 F776 M779 P780 S781 Q782 L788 L792 L822I775-L784 HydrophobicContact CG2-CD1 4.28Å; F776-L784 HydrophobicContact CD1-CD1 3.84Å; F776-L784 HydrophobicContact CD1-CD2 4.16Å; F776-L784 HydrophobicContact CE1-CD1 4.25Å; M779-L784 HydrophobicContact CB-CD1 4.21Å; M779-L784 HydrophobicContact CE-CB 4.15Å; M779-L784 HydrophobicContact CE-CD1 3.86Å; M779-L784 HydrophobicContact SD-CD1 4.19Å; P780-L784 PolarHBondContact O-N 3.02Å; S781-L784 PolarHBondContact O-N 3.13Å; Q782-L784 VanDerWaalsContact C-N 3.33Å; Q782-L784 PolarHBondContact O-N 2.82Å; L784-L788 HydrophobicContact CD1-CD1 4.01Å; L784-L788 WeakPolarHBondContact O-CB 3.49Å; L784-L788 PolarHBondContact O-N 3.38Å; L784-L792 HydrophobicContact CD1-CD2 4.43Å; L784-L792 HydrophobicContact CD2-CD2 4.47Å; L784-L792 HydrophobicContact CG-CD1 4.15Å; L784-L792 HydrophobicContact CG-CD2 4.25Å; L784-L792 WeakPolarHBondContact O-CD1 3.5Å; L784-L822 HydrophobicContact CD2-CD1 4.32Å
785L78.8Confident82.1Confident62 Ų6253.6 Ų53.633%0.32528%0.281SS..Hα-helixtrans-70.5-39179.4-77.6177.9000113.4S781 Q782 S789 L792 L826 E829S781-L785 PolarHBondContact O-N 3.43Å; S781-L785 VanDerWaalsContact O-N 3.16Å; Q782-L785 PolarHBondContact O-N 2.83Å; L785-S789 VanDerWaalsContact O-CB 3.23Å; L785-S789 WeakPolarHBondContact O-CB 3.42Å; L785-L792 HydrophobicContact CD2-CD1 4.36Å; L785-L826 HydrophobicContact CD2-CD2 3.4Å; L785-L826 VanDerWaalsContact CD2-CD2 3.4Å; L785-L826 HydrophobicContact CG-CD2 4.36Å; L785-E829 HydrophobicContact CD1-CB 3.85Å; L785-E829 HydrophobicContact CD1-CG 3.79Å
786V80.4Confident82.1Confident109 Ų10958.2 Ų58.266%0.66130%0.298SS*.Hα-helixtrans-77.2-47-175.81740000111.7Q782 S783Q782-V786 VanDerWaalsContact O-CG2 3.3Å; Q782-V786 WeakPolarHBondContact O-CG2 3.46Å; Q782-V786 PolarHBondContact O-N 3.13Å; S783-V786 PolarHBondContact O-N 3.01Å
787E77.4Confident82.1Confident94 Ų9460.2 Ų60.244%0.43932%0.317SS..Hα-helixtrans-88-23.6-171.4-65.9-76.9159.600113.7T743 R747 S783T743-E787 HydrophobicContact CG2-CB 4.42Å; T743-E787 HydrophobicContact CG2-CG 3.87Å; R747-E787 IonicContact NH1-OE2 2.86Å; S783-E787 VanDerWaalsContact O-CB 3.31Å; S783-E787 WeakPolarHBondContact O-CB 3.37Å; S783-E787 PolarHBondContact O-N 2.81Å
788L77.3Confident82.5Confident3 Ų356.4 Ų56.42%0.01630%0.297CS..Hα-helixtrans-120.110.1-174.4-57.9176.3000114.1R747 L750 I775 M779 L784 D790 Q791 L792R747-L788 HydrophobicContact CB-CD2 4.19Å; R747-L788 HydrophobicContact CG-CD2 4.14Å; L750-L788 HydrophobicContact CD2-CD1 3.94Å; L750-L788 HydrophobicContact CD2-CD2 4.08Å; L750-L788 HydrophobicContact CD2-CG 4.44Å; I775-L788 HydrophobicContact CG2-CD1 4.39Å; M779-L788 HydrophobicContact CE-CD1 3.79Å; M779-L788 HydrophobicContact CE-CG 4.38Å; M779-L788 HydrophobicContact SD-CD1 3.93Å; L784-L788 HydrophobicContact CD1-CD1 4.01Å; L784-L788 WeakPolarHBondContact O-CB 3.49Å; L784-L788 PolarHBondContact O-N 3.38Å; L788-D790 PolarHBondContact O-N 3.39Å; L788-Q791 PolarHBondContact O-N 2.94Å; L788-L792 HydrophobicContact CB-CD1 4.49Å; L788-L792 HydrophobicContact CB-CD2 4.46Å; L788-L792 HydrophobicContact CB-CG 4.03Å; L788-L792 VanDerWaalsContact O-CG 3.26Å; L788-L792 WeakPolarHBondContact O-CG 3.06Å; L788-L792 PolarHBondContact O-N 3.49Å
789S75.6Confident82.9Confident48 Ų4856.2 Ų56.234%0.33630%0.296SS..Hα-helixtrans-43.5-52.4-175430000114.8L785 L792 F793L785-S789 VanDerWaalsContact O-CB 3.23Å; L785-S789 WeakPolarHBondContact O-CB 3.42Å; S789-L792 PolarHBondContact O-N 3.25Å; S789-F793 WeakPolarHBondContact O-CD2 3.36Å
790D75.8Confident83.1Confident134 Ų13457.4 Ų57.472%0.71731%0.307SS*.Hα-helixtrans-65.8-43.5-178.2-64.8-29.2000112.1L788 L792L788-D790 PolarHBondContact O-N 3.39Å; D790-L792 PolarHBondContact O-N 3.46Å
791Q79.9Confident83.5Confident50 Ų5060 Ų6023%0.23432%0.318CS..Hα-helixtrans-73.2-24.8-179.4-66.4-176.6-9.600112.7L750 D751 L788 T795L750-Q791 HydrophobicContact CD2-CB 4.13Å; L750-Q791 VanDerWaalsContact CD2-OE1 3.32Å; D751-Q791 PolarHBondContact OD1-NE2 3.38Å; L788-Q791 PolarHBondContact O-N 2.94Å; Q791-T795 VanDerWaalsContact O-CB 3.25Å; Q791-T795 WeakPolarHBondContact O-CB 3.28Å; Q791-T795 PolarHBondContact O-N 2.85Å; Q791-T795 PolarHBondContact O-OG1 2.88Å
792L82.4Confident84.1Confident11 Ų1159.4 Ų59.46%0.05831%0.313CS..Hα-helixtrans-67.6-38.1-178.5-77.2178.2000113.1F776 L784 L785 L788 S789 D790 T795 R796 L822F776-L792 HydrophobicContact CE1-CD2 3.62Å; F776-L792 HydrophobicContact CZ-CD2 4.13Å; L784-L792 HydrophobicContact CD1-CD2 4.43Å; L784-L792 HydrophobicContact CD2-CD2 4.47Å; L784-L792 HydrophobicContact CG-CD1 4.15Å; L784-L792 HydrophobicContact CG-CD2 4.25Å; L784-L792 WeakPolarHBondContact O-CD1 3.5Å; L785-L792 HydrophobicContact CD2-CD1 4.36Å; L788-L792 HydrophobicContact CB-CD1 4.49Å; L788-L792 HydrophobicContact CB-CD2 4.46Å; L788-L792 HydrophobicContact CB-CG 4.03Å; L788-L792 VanDerWaalsContact O-CG 3.26Å; L788-L792 WeakPolarHBondContact O-CG 3.06Å; L788-L792 PolarHBondContact O-N 3.49Å; S789-L792 PolarHBondContact O-N 3.25Å; D790-L792 PolarHBondContact O-N 3.46Å; L792-T795 PolarHBondContact O-N 2.96Å; L792-R796 WeakPolarHBondContact O-CB 3.37Å; L792-R796 PolarHBondContact O-N 3.27Å; L792-L822 HydrophobicContact CD2-CD1 3.86Å
793F82.2Confident84.7Confident162 Ų16255 Ų5571%0.71130%0.296SS*.Hα-helixtrans-67.4-44.2177.9-73.7-74.9000111.4S789 T795 R796 A797S789-F793 WeakPolarHBondContact O-CD2 3.36Å; F793-T795 VanDerWaalsContact C-N 3.34Å; F793-R796 PolarHBondContact O-N 2.82Å; F793-A797 PolarHBondContact O-N 3.22Å
794E87.6Confident85.1Confident111 Ų11161.6 Ų61.652%0.51932%0.323SS..Hα-helixtrans-63.3-42.5174.4-60.9-172.9178.300111W754 R796 A797 W798W754-E794 HydrophobicContact CH2-CB 3.59Å; W754-E794 HydrophobicContact CZ2-CB 3.74Å; W754-E794 VanDerWaalsContact CZ2-OE2 3.29Å; W754-E794 WeakPolarHBondContact CZ2-OE2 3.2Å; E794-R796 VanDerWaalsContact C-N 3.34Å; E794-R796 PolarHBondContact O-N 3.05Å; E794-A797 PolarHBondContact O-N 2.95Å; E794-W798 WeakPolarHBondContact O-CB 3.34Å; E794-W798 PolarHBondContact O-N 3.17Å
795T88Confident85.3Confident0 Ų064.4 Ų64.40%035%0.352CS..Hα-helixtrans-62.8-40.5176.9-57.50000111.2W754 V772 F776 Q791 L792 F793 W798 L799W754-T795 WeakPolarHBondContact CZ3-OG1 3Å; V772-T795 HydrophobicContact CG1-CG2 4.07Å; F776-T795 HydrophobicContact CZ-CG2 3.99Å; Q791-T795 VanDerWaalsContact O-CB 3.25Å; Q791-T795 WeakPolarHBondContact O-CB 3.28Å; Q791-T795 PolarHBondContact O-N 2.85Å; Q791-T795 PolarHBondContact O-OG1 2.88Å; L792-T795 PolarHBondContact O-N 2.96Å; F793-T795 VanDerWaalsContact C-N 3.34Å; T795-W798 HydrophobicContact CG2-CE3 4.26Å; T795-W798 PolarHBondContact O-N 3.39Å; T795-L799 HydrophobicContact CG2-CD1 3.95Å; T795-L799 HydrophobicContact CG2-CG 4.26Å; T795-L799 WeakPolarHBondContact O-CB 3.35Å; T795-L799 WeakPolarHBondContact O-CG 3.3Å; T795-L799 PolarHBondContact O-N 3.14Å
796R88.9Confident85.9Confident97 Ų9762.2 Ų62.237%0.36634%0.341SS..Hα-helixtrans-62.5-46.5176.1-178.7-178.9169.585.21.2111.9L792 F793 E794 L799 A800 L819 L822 E823L792-R796 WeakPolarHBondContact O-CB 3.37Å; L792-R796 PolarHBondContact O-N 3.27Å; F793-R796 PolarHBondContact O-N 2.82Å; E794-R796 VanDerWaalsContact C-N 3.34Å; E794-R796 PolarHBondContact O-N 3.05Å; R796-L799 PolarHBondContact O-N 2.86Å; R796-A800 PolarHBondContact O-N 3.41Å; R796-A800 VanDerWaalsContact O-N 3.14Å; R796-L819 HydrophobicContact CG-CD2 3.93Å; R796-L822 HydrophobicContact CB-CD2 3.85Å; R796-L822 HydrophobicContact CG-CD2 4.24Å; R796-E823 IonicContact CZ-OE1 2.99Å; R796-E823 VanDerWaalsContact NH1-CG 3.29Å; R796-E823 IonicContact NH1-OE1 3.24Å; R796-E823 PolarHBondContact NH1-OE1 2.64Å; R796-E823 IonicContact NH2-OE1 2.63Å; R796-E823 PolarHBondContact NH2-OE1 2.58Å
797A89.1Confident86.3Confident55 Ų5562.3 Ų62.346%0.45534%0.344SS..Hα-helixtrans-61.7-48.4178.400000110.8F793 E794 L799 A800 D801F793-A797 PolarHBondContact O-N 3.22Å; E794-A797 PolarHBondContact O-N 2.95Å; A797-L799 PolarHBondContact O-N 3.04Å; A797-A800 WeakPolarHBondContact O-CB 3.48Å; A797-A800 PolarHBondContact O-N 3.15Å; A797-A800 VanDerWaalsContact O-N 3.14Å; A797-D801 PolarHBondContact O-N 2.93Å; A797-D801 VanDerWaalsContact O-N 3.07Å
798W93.9Very high86.9Confident9 Ų958.6 Ų58.63%0.03433%0.327CS..Hα-helixtrans-59.8-42.6177.2169.163.1000113W754 R757 Y758 V768 L769 V772 E794 T795 A800 D801 V802W754-W798 HydrophobicContact CZ3-CE3 4.33Å; R757-W798 HydrophobicContact CB-CH2 4.22Å; R757-W798 HydrophobicContact CB-CZ2 3.66Å; R757-W798 HydrophobicContact CG-CZ2 4.48Å; Y758-W798 AromaticContact CE1-CD1 3.7Å; Y758-W798 AromaticContact CE1-NE1 3.64Å; Y758-W798 AromaticContact CZ-CD1 3.64Å; Y758-W798 AromaticContact CZ-NE1 3.93Å; V768-W798 HydrophobicContact CG1-CH2 3.54Å; V768-W798 HydrophobicContact CG1-CZ2 3.97Å; L769-W798 HydrophobicContact CD2-CH2 3.6Å; L769-W798 HydrophobicContact CD2-CZ2 4.1Å; L769-W798 HydrophobicContact CD2-CZ3 4.18Å; L769-W798 HydrophobicContact CG-CH2 4.34Å; V772-W798 HydrophobicContact CG2-CZ3 4.19Å; E794-W798 WeakPolarHBondContact O-CB 3.34Å; E794-W798 PolarHBondContact O-N 3.17Å; T795-W798 HydrophobicContact CG2-CE3 4.26Å; T795-W798 PolarHBondContact O-N 3.39Å; W798-A800 VanDerWaalsContact C-N 3.3Å; W798-A800 PolarHBondContact O-N 3.5Å; W798-D801 PolarHBondContact O-N 2.85Å; W798-V802 HydrophobicContact CD2-CG2 4.42Å; W798-V802 HydrophobicContact CG-CG2 4.5Å; W798-V802 HydrophobicContact CZ2-CG2 4.12Å; W798-V802 WeakPolarHBondContact O-CG2 3.39Å; W798-V802 PolarHBondContact O-N 3.41Å
799L93.1Very high87.3Confident0 Ų062 Ų620%035%0.348CS..Hα-helixtrans-64.1-33.8177-72.7170.1000112.6L769 V772 F776 T795 R796 A797 A803 A815 L819L769-L799 HydrophobicContact CD2-CD2 3.54Å; V772-L799 HydrophobicContact CG1-CD1 4.32Å; F776-L799 HydrophobicContact CE2-CD1 4.02Å; T795-L799 HydrophobicContact CG2-CD1 3.95Å; T795-L799 HydrophobicContact CG2-CG 4.26Å; T795-L799 WeakPolarHBondContact O-CB 3.35Å; T795-L799 WeakPolarHBondContact O-CG 3.3Å; T795-L799 PolarHBondContact O-N 3.14Å; R796-L799 PolarHBondContact O-N 2.86Å; A797-L799 PolarHBondContact O-N 3.04Å; L799-A803 VanDerWaalsContact O-CB 3.3Å; L799-A803 WeakPolarHBondContact O-CB 3.34Å; L799-A803 PolarHBondContact O-N 3.19Å; L799-A815 HydrophobicContact CD2-CB 4.26Å; L799-L819 HydrophobicContact CB-CD1 4.27Å; L799-L819 HydrophobicContact CB-CD2 3.72Å; L799-L819 HydrophobicContact CB-CG 3.78Å; L799-L819 HydrophobicContact CD1-CD2 4.28Å; L799-L819 HydrophobicContact CD1-CG 4.44Å
800A91.3Very high87.8Confident36 Ų3662.7 Ų62.730%0.29835%0.348SS..Hα-helixtrans-66.6-44.8174.300000111.1R796 A797 W798 V802 A803 E804 L819R796-A800 PolarHBondContact O-N 3.41Å; R796-A800 VanDerWaalsContact O-N 3.14Å; A797-A800 WeakPolarHBondContact O-CB 3.48Å; A797-A800 PolarHBondContact O-N 3.15Å; A797-A800 VanDerWaalsContact O-N 3.14Å; W798-A800 VanDerWaalsContact C-N 3.3Å; W798-A800 PolarHBondContact O-N 3.5Å; A800-V802 VanDerWaalsContact C-N 3.34Å; A800-V802 PolarHBondContact O-N 3.34Å; A800-A803 PolarHBondContact O-N 2.98Å; A800-E804 PolarHBondContact O-N 3.47Å; A800-L819 HydrophobicContact CB-CD1 4.45Å
801D91.8Very high88.4Confident103 Ų10356.3 Ų56.355%0.55131%0.314SS*.Hα-helixtrans-60.4-43.4176.4-64-21.6000111.6A797 W798 E804 G805A797-D801 PolarHBondContact O-N 2.93Å; A797-D801 VanDerWaalsContact O-N 3.07Å; W798-D801 PolarHBondContact O-N 2.85Å; D801-E804 PolarHBondContact O-N 2.98Å; D801-G805 WeakPolarHBondContact O-CA 3.45Å; D801-G805 PolarHBondContact O-N 2.98Å
802V91.6Very high88.8Confident14 Ų1457.6 Ų57.69%0.08532%0.316CS..Hα-helixtrans-66.2-39.7177172.90000111.5L769 W798 A800 E804 D806 R812 A815L769-V802 HydrophobicContact CD1-CG1 3.91Å; L769-V802 HydrophobicContact CD2-CG1 4.17Å; W798-V802 HydrophobicContact CD2-CG2 4.42Å; W798-V802 HydrophobicContact CG-CG2 4.5Å; W798-V802 HydrophobicContact CZ2-CG2 4.12Å; W798-V802 WeakPolarHBondContact O-CG2 3.39Å; W798-V802 PolarHBondContact O-N 3.41Å; A800-V802 VanDerWaalsContact C-N 3.34Å; A800-V802 PolarHBondContact O-N 3.34Å; V802-E804 PolarHBondContact O-N 3.45Å; V802-D806 HydrophobicContact CG1-CB 3.96Å; V802-D806 WeakPolarHBondContact O-CB 3.28Å; V802-D806 PolarHBondContact O-N 3.25Å; V802-D806 VanDerWaalsContact O-N 3.12Å; V802-R812 WeakPolarHBondContact O-CG 3.34Å; V802-A815 HydrophobicContact CB-CB 4.12Å; V802-A815 HydrophobicContact CG1-CB 3.79Å
803A90.8Very high89Confident20 Ų2061.2 Ų61.217%0.16534%0.336CS..Hα-helixtrans-62-32.5179.300000112.8L799 A800 R812 A815 V816 L819L799-A803 VanDerWaalsContact O-CB 3.3Å; L799-A803 WeakPolarHBondContact O-CB 3.34Å; L799-A803 PolarHBondContact O-N 3.19Å; A800-A803 PolarHBondContact O-N 2.98Å; A803-R812 WeakPolarHBondContact O-CD 3.3Å; A803-R812 WeakPolarHBondContact O-CG 3.43Å; A803-A815 HydrophobicContact CB-CB 4.04Å; A803-V816 HydrophobicContact CB-CG2 3.79Å; A803-L819 HydrophobicContact CB-CD1 4.5Å
804E89.6Confident89.3Confident175 Ų17555.1 Ų55.182%0.81831%0.311SS*.Hα-helixtrans-92.5-35.4179.6-65.2-175.4178.800112.9A800 D801 V802A800-E804 PolarHBondContact O-N 3.47Å; D801-E804 PolarHBondContact O-N 2.98Å; V802-E804 PolarHBondContact O-N 3.45Å
805G85.2Confident89.3Confident60 Ų6049.9 Ų49.962%0.61929%0.286SS*.Hα-helixtrans-115.4-10.6-163.200000117.8D801D801-G805 WeakPolarHBondContact O-CA 3.45Å; D801-G805 PolarHBondContact O-N 2.98Å
806D92.7Very high89.3Confident16 Ų1653.4 Ų53.49%0.08631%0.308CS..  trans-70.6136.6-179.5-162.2-69.4000110.8R765 V802 D808 C811 R812R765-D806 IonicContact CZ-OD1 3.63Å; R765-D806 IonicContact CZ-OD2 3.53Å; R765-D806 IonicContact NE-OD1 3.9Å; R765-D806 IonicContact NE-OD2 2.69Å; R765-D806 PolarHBondContact NE-OD2 3.44Å; R765-D806 IonicContact NH2-OD1 2.61Å; R765-D806 PolarHBondContact NH2-OD1 2.98Å; R765-D806 VanDerWaalsContact NH2-OD1 3.11Å; R765-D806 IonicContact NH2-OD2 2.69Å; V802-D806 HydrophobicContact CG1-CB 3.96Å; V802-D806 WeakPolarHBondContact O-CB 3.28Å; V802-D806 PolarHBondContact O-N 3.25Å; V802-D806 VanDerWaalsContact O-N 3.12Å; D806-D808 PolarHBondContact O-N 3.42Å; D806-D808 WeakPolarHBondContact OD1-CB 3.41Å; D806-D808 PolarHBondContact OD1-N 3.48Å; D806-C811 HydrophobicContact CB-CB 4.07Å; D806-R812 HydrophobicContact CB-CG 4.14Å; D806-R812 WeakPolarHBondContact O-CD 3.48Å; D806-R812 PolarHBondContact O-NH1 2.79Å
807P88.4Confident89.2Confident110 Ų11054 Ų5471%0.71431%0.314SS*.SBendtrans-61.8-29.7176.924.3-35.4000113.1R812P807-R812 VanDerWaalsContact C-NH1 3.3Å; P807-R812 PolarHBondContact O-NH1 3.35Å
808D88.8Confident89.1Confident16 Ų1651.4 Ų51.49%0.08629%0.293CS..  trans-86.5131-175.8-177.462.7000113.4R766 D806 D810 C811 R812R766-D808 IonicContact CZ-OD1 3.99Å; R766-D808 IonicContact CZ-OD2 2.67Å; R766-D808 IonicContact NE-OD1 2.65Å; R766-D808 IonicContact NE-OD2 3.47Å; R766-D808 PolarHBondContact NE-OD2 3.27Å; R766-D808 VanDerWaalsContact NH2-CG 3.27Å; R766-D808 IonicContact NH2-OD1 3.15Å; R766-D808 PolarHBondContact NH2-OD1 3.38Å; R766-D808 IonicContact NH2-OD2 3.73Å; R766-D808 PolarHBondContact NH2-OD2 3.38Å; R766-D808 VanDerWaalsContact NH2-OD2 3.13Å; D806-D808 PolarHBondContact O-N 3.42Å; D806-D808 WeakPolarHBondContact OD1-CB 3.41Å; D806-D808 PolarHBondContact OD1-N 3.48Å; D808-D810 VanDerWaalsContact C-N 3.35Å; D808-D810 PolarHBondContact O-N 3.35Å; D808-D810 WeakPolarHBondContact OD2-CB 3.32Å; D808-D810 PolarHBondContact OD2-N 3.21Å; D808-D810 VanDerWaalsContact OD2-N 3.1Å; D808-C811 HydrophobicContact CB-CB 4.04Å; D808-C811 PolarHBondContact OD2-N 3.46Å; D808-R812 WeakPolarHBondContact O-CG 3.41Å; D808-R812 PolarHBondContact O-N 2.98Å; D808-R812 PolarHBondContact O-NH1 3.14Å
809T87.2Confident88.8Confident74 Ų7452.2 Ų52.245%0.45430%0.298SS..Hα-helixtrans-65.5-36.5-178.549.20000113R812 N813T809-R812 PolarHBondContact O-N 3.11Å; T809-N813 VanDerWaalsContact O-CG 3.23Å; T809-N813 PolarHBondContact O-N 3Å; T809-N813 PolarHBondContact O-ND2 2.94Å; T809-N813 VanDerWaalsContact O-ND2 3.17Å
810D85.4Confident88.6Confident64 Ų6456.5 Ų56.534%0.34232%0.324SS..Hα-helixtrans-76.1-35.8-176-61.9-36.1000110.9R766 D808 N813 L814R766-D810 IonicContact CZ-OD2 3.57Å; R766-D810 IonicContact NH1-OD2 3.93Å; R766-D810 PolarHBondContact NH1-OD2 2.82Å; R766-D810 IonicContact NH2-OD2 2.93Å; R766-D810 PolarHBondContact NH2-OD2 2.91Å; D808-D810 VanDerWaalsContact C-N 3.35Å; D808-D810 PolarHBondContact O-N 3.35Å; D808-D810 WeakPolarHBondContact OD2-CB 3.32Å; D808-D810 PolarHBondContact OD2-N 3.21Å; D808-D810 VanDerWaalsContact OD2-N 3.1Å; D810-N813 PolarHBondContact O-N 3.38Å; D810-L814 WeakPolarHBondContact O-CB 3.47Å; D810-L814 WeakPolarHBondContact O-CG 3.27Å; D810-L814 PolarHBondContact O-N 2.98Å
811C88.1Confident88.3Confident0 Ų056.8 Ų56.80%032%0.32CS..Hα-helixtrans-55.8-50.2167-72.50000111.7R766 L769 D806 D808 N813 L814 A815R766-C811 VanDerWaalsContact CG-SG 3.51Å; L769-C811 HydrophobicContact CD1-CB 3.64Å; L769-C811 WeakPolarHBondContact CD1-O 3.49Å; D806-C811 HydrophobicContact CB-CB 4.07Å; D808-C811 HydrophobicContact CB-CB 4.04Å; D808-C811 PolarHBondContact OD2-N 3.46Å; C811-N813 VanDerWaalsContact C-N 3.3Å; C811-N813 PolarHBondContact O-N 3.24Å; C811-L814 PolarHBondContact O-N 2.85Å; C811-A815 WeakPolarHBondContact O-CB 3.17Å; C811-A815 PolarHBondContact O-N 3.49Å
812R89.4Confident88Confident76 Ų7652 Ų5229%0.28729%0.294SS..Hα-helixtrans-58.3-43.5177.7-66.7-167.4-58.7-86.76.2111.8V802 A803 D806 P807 D808 T809 A815 V816V802-R812 WeakPolarHBondContact O-CG 3.34Å; A803-R812 WeakPolarHBondContact O-CD 3.3Å; A803-R812 WeakPolarHBondContact O-CG 3.43Å; D806-R812 HydrophobicContact CB-CG 4.14Å; D806-R812 WeakPolarHBondContact O-CD 3.48Å; D806-R812 PolarHBondContact O-NH1 2.79Å; P807-R812 VanDerWaalsContact C-NH1 3.3Å; P807-R812 PolarHBondContact O-NH1 3.35Å; D808-R812 WeakPolarHBondContact O-CG 3.41Å; D808-R812 PolarHBondContact O-N 2.98Å; D808-R812 PolarHBondContact O-NH1 3.14Å; T809-R812 PolarHBondContact O-N 3.11Å; R812-A815 PolarHBondContact O-N 2.97Å; R812-V816 WeakPolarHBondContact O-CG2 3.39Å; R812-V816 PolarHBondContact O-N 2.72Å
813N86.2Confident87.6Confident88 Ų8854.6 Ų54.647%0.47131%0.306SS..Hα-helixtrans-64.3-45.5178.4-71.1-30.3000112.8T809 D810 C811 A815 V816 Q817T809-N813 VanDerWaalsContact O-CG 3.23Å; T809-N813 PolarHBondContact O-N 3Å; T809-N813 PolarHBondContact O-ND2 2.94Å; T809-N813 VanDerWaalsContact O-ND2 3.17Å; D810-N813 PolarHBondContact O-N 3.38Å; C811-N813 VanDerWaalsContact C-N 3.3Å; C811-N813 PolarHBondContact O-N 3.24Å; N813-A815 VanDerWaalsContact C-N 3.31Å; N813-A815 PolarHBondContact O-N 3.3Å; N813-V816 PolarHBondContact O-N 3.46Å; N813-Q817 VanDerWaalsContact O-CG 3.32Å; N813-Q817 WeakPolarHBondContact O-CG 3.34Å; N813-Q817 PolarHBondContact O-N 3.41Å
814L87.9Confident87.2Confident34 Ų3460.2 Ų60.218%0.17833%0.326CS..Hα-helixtrans-65.5-34.8177.5-73.9170.8000111.9L769 D810 C811 Q817 S818L769-L814 HydrophobicContact CB-CB 3.85Å; L769-L814 HydrophobicContact CB-CD1 4.28Å; L769-L814 HydrophobicContact CD1-CB 4.42Å; D810-L814 WeakPolarHBondContact O-CB 3.47Å; D810-L814 WeakPolarHBondContact O-CG 3.27Å; D810-L814 PolarHBondContact O-N 2.98Å; C811-L814 PolarHBondContact O-N 2.85Å; L814-Q817 PolarHBondContact O-N 3.35Å; L814-S818 WeakPolarHBondContact O-CB 3.49Å; L814-S818 PolarHBondContact O-N 2.87Å; L814-S818 PolarHBondContact O-OG 2.95Å
815A88.8Confident86.6Confident0 Ų052.7 Ų52.70%029%0.293CS..Hα-helixtrans-65.3-45.9175.600000111.8L769 L799 V802 A803 C811 R812 N813 Q817 S818 L819L769-A815 HydrophobicContact CD2-CB 4.17Å; L799-A815 HydrophobicContact CD2-CB 4.26Å; V802-A815 HydrophobicContact CB-CB 4.12Å; V802-A815 HydrophobicContact CG1-CB 3.79Å; A803-A815 HydrophobicContact CB-CB 4.04Å; C811-A815 WeakPolarHBondContact O-CB 3.17Å; C811-A815 PolarHBondContact O-N 3.49Å; R812-A815 PolarHBondContact O-N 2.97Å; N813-A815 VanDerWaalsContact C-N 3.31Å; N813-A815 PolarHBondContact O-N 3.3Å; A815-Q817 VanDerWaalsContact C-N 3.35Å; A815-Q817 PolarHBondContact O-N 3.44Å; A815-S818 WeakPolarHBondContact O-CB 3.28Å; A815-S818 PolarHBondContact O-N 2.65Å; A815-L819 WeakPolarHBondContact O-CG 3.37Å; A815-L819 PolarHBondContact O-N 3.12Å
816V87.5Confident86Confident75 Ų7552.4 Ų52.446%0.45528%0.277SS..Hα-helixtrans-60.5-43.5173.8173.80000111.4A803 R812 N813 S818 L819 V820A803-V816 HydrophobicContact CB-CG2 3.79Å; R812-V816 WeakPolarHBondContact O-CG2 3.39Å; R812-V816 PolarHBondContact O-N 2.72Å; N813-V816 PolarHBondContact O-N 3.46Å; V816-S818 PolarHBondContact O-N 3.12Å; V816-L819 PolarHBondContact O-N 2.95Å; V816-V820 WeakPolarHBondContact O-CG2 3.46Å; V816-V820 PolarHBondContact O-N 3.24Å
817Q87.2Confident85.2Confident109 Ų10958 Ų5851%0.50930%0.301SS..Hα-helixtrans-61.9-43.8176.6-72.2175.119.200112N813 L814 A815 L819 V820 L821N813-Q817 VanDerWaalsContact O-CG 3.32Å; N813-Q817 WeakPolarHBondContact O-CG 3.34Å; N813-Q817 PolarHBondContact O-N 3.41Å; L814-Q817 PolarHBondContact O-N 3.35Å; A815-Q817 VanDerWaalsContact C-N 3.35Å; A815-Q817 PolarHBondContact O-N 3.44Å; Q817-L819 VanDerWaalsContact C-N 3.33Å; Q817-L819 PolarHBondContact O-N 2.9Å; Q817-V820 PolarHBondContact O-N 2.96Å; Q817-L821 VanDerWaalsContact O-CG 3.31Å; Q817-L821 WeakPolarHBondContact O-CG 3.35Å; Q817-L821 PolarHBondContact O-N 3.33Å
818S86.9Confident84.3Confident0 Ų055.8 Ų55.80%029%0.285CS..Hα-helixtrans-58.6-44175.9-570000111.7C773 L814 A815 V816 L821 L822C773-S818 PolarHBondContact SG-OG 3.14Å; L814-S818 WeakPolarHBondContact O-CB 3.49Å; L814-S818 PolarHBondContact O-N 2.87Å; L814-S818 PolarHBondContact O-OG 2.95Å; A815-S818 WeakPolarHBondContact O-CB 3.28Å; A815-S818 PolarHBondContact O-N 2.65Å; V816-S818 PolarHBondContact O-N 3.12Å; S818-L821 PolarHBondContact O-N 3.45Å; S818-L822 WeakPolarHBondContact O-CB 3.27Å; S818-L822 PolarHBondContact O-N 2.92Å
819L88.1Confident83.2Confident27 Ų2758 Ų5814%0.14130%0.295CS..Hα-helixtrans-62.4-43.8177.5-74.4169.5000112.3R796 L799 A800 A803 A815 V816 Q817 L821 L822 E823R796-L819 HydrophobicContact CG-CD2 3.93Å; L799-L819 HydrophobicContact CB-CD1 4.27Å; L799-L819 HydrophobicContact CB-CD2 3.72Å; L799-L819 HydrophobicContact CB-CG 3.78Å; L799-L819 HydrophobicContact CD1-CD2 4.28Å; L799-L819 HydrophobicContact CD1-CG 4.44Å; A800-L819 HydrophobicContact CB-CD1 4.45Å; A803-L819 HydrophobicContact CB-CD1 4.5Å; A815-L819 WeakPolarHBondContact O-CG 3.37Å; A815-L819 PolarHBondContact O-N 3.12Å; V816-L819 PolarHBondContact O-N 2.95Å; Q817-L819 VanDerWaalsContact C-N 3.33Å; Q817-L819 PolarHBondContact O-N 2.9Å; L819-L821 VanDerWaalsContact C-N 3.33Å; L819-L821 PolarHBondContact O-N 3.29Å; L819-L822 PolarHBondContact O-N 3.28Å; L819-E823 WeakPolarHBondContact O-CG 3.47Å; L819-E823 PolarHBondContact O-N 2.79Å
820V88.2Confident81.9Confident89 Ų8962 Ų6254%0.53931%0.311SS..Hα-helixtrans-63.5-41177.3171.80000111.2V816 Q817 E823 K824V816-V820 WeakPolarHBondContact O-CG2 3.46Å; V816-V820 PolarHBondContact O-N 3.24Å; Q817-V820 PolarHBondContact O-N 2.96Å; V820-E823 PolarHBondContact O-N 2.83Å; V820-K824 WeakPolarHBondContact O-CB 3.25Å; V820-K824 PolarHBondContact O-N 3.35Å
821L85.6Confident80.4Confident42 Ų4264.4 Ų64.422%0.2232%0.323CS..Hα-helixtrans-65.5-43.2177.2-71.3172000111.9F776 L777 Q817 S818 L819 K824 S825F776-L821 HydrophobicContact CB-CB 4.31Å; L777-L821 HydrophobicContact CD1-CD1 4.2Å; L777-L821 HydrophobicContact CD2-CD1 3.86Å; L777-L821 HydrophobicContact CD2-CD2 3.57Å; L777-L821 HydrophobicContact CD2-CG 4.34Å; L777-L821 HydrophobicContact CG-CD1 3.8Å; L777-L821 HydrophobicContact CG-CD2 4.41Å; Q817-L821 VanDerWaalsContact O-CG 3.31Å; Q817-L821 WeakPolarHBondContact O-CG 3.35Å; Q817-L821 PolarHBondContact O-N 3.33Å; S818-L821 PolarHBondContact O-N 3.45Å; L819-L821 VanDerWaalsContact C-N 3.33Å; L819-L821 PolarHBondContact O-N 3.29Å; L821-K824 WeakPolarHBondContact O-CB 3.37Å; L821-K824 PolarHBondContact O-N 3.32Å; L821-S825 PolarHBondContact O-N 3.07Å; L821-S825 PolarHBondContact O-OG 2.92Å
822L84.1Confident78.6Confident3 Ų369.2 Ų69.22%0.01635%0.354CS..Hα-helixtrans-61.8-44175.1-177.962.5000111.5F776 L784 L792 R796 S818 L819 K824 S825 L826F776-L822 HydrophobicContact CD2-CB 4.15Å; F776-L822 HydrophobicContact CE1-CD1 4.18Å; F776-L822 HydrophobicContact CE2-CB 3.97Å; F776-L822 HydrophobicContact CE2-CD1 4.39Å; F776-L822 HydrophobicContact CE2-CD2 4.43Å; F776-L822 HydrophobicContact CE2-CG 4.5Å; F776-L822 HydrophobicContact CZ-CB 4.48Å; F776-L822 HydrophobicContact CZ-CD1 4.08Å; F776-L822 HydrophobicContact CZ-CD2 4.35Å; L784-L822 HydrophobicContact CD2-CD1 4.32Å; L792-L822 HydrophobicContact CD2-CD1 3.86Å; R796-L822 HydrophobicContact CB-CD2 3.85Å; R796-L822 HydrophobicContact CG-CD2 4.24Å; S818-L822 WeakPolarHBondContact O-CB 3.27Å; S818-L822 PolarHBondContact O-N 2.92Å; L819-L822 PolarHBondContact O-N 3.28Å; L822-K824 VanDerWaalsContact C-N 3.29Å; L822-K824 PolarHBondContact O-N 2.89Å; L822-S825 PolarHBondContact O-N 3.39Å; L822-S825 PolarHBondContact O-OG 3.17Å; L822-L826 HydrophobicContact CD1-CD1 4.48Å; L822-L826 HydrophobicContact CG-CD1 4.21Å; L822-L826 WeakPolarHBondContact O-CB 3.21Å; L822-L826 WeakPolarHBondContact O-CG 3.47Å; L822-L826 PolarHBondContact O-N 3.45Å
823E83.3Confident76.4Confident69 Ų6969.2 Ų69.232%0.32237%0.371SS..Hα-helixtrans-65.1-34.7175.9-74.5-171.8-176.900112.8R796 L819 V820 K827R796-E823 IonicContact CZ-OE1 2.99Å; R796-E823 VanDerWaalsContact NH1-CG 3.29Å; R796-E823 IonicContact NH1-OE1 3.24Å; R796-E823 PolarHBondContact NH1-OE1 2.64Å; R796-E823 IonicContact NH2-OE1 2.63Å; R796-E823 PolarHBondContact NH2-OE1 2.58Å; L819-E823 WeakPolarHBondContact O-CG 3.47Å; L819-E823 PolarHBondContact O-N 2.79Å; V820-E823 PolarHBondContact O-N 2.83Å; E823-K827 WeakPolarHBondContact O-CB 3.45Å; E823-K827 WeakPolarHBondContact O-CD 3.39Å; E823-K827 WeakPolarHBondContact O-CG 3.45Å; E823-K827 PolarHBondContact O-N 3.1Å; E823-K827 IonicContact OE2-NZ 3.77Å
824K81.9Confident74.3Confident138 Ų13868.7 Ų68.760%0.638%0.379SS*.Hα-helixtrans-67.3-44.2176.3-173.1-178.1176.6-173.40111.4V820 L821 L822 K827 T828V820-K824 WeakPolarHBondContact O-CB 3.25Å; V820-K824 PolarHBondContact O-N 3.35Å; L821-K824 WeakPolarHBondContact O-CB 3.37Å; L821-K824 PolarHBondContact O-N 3.32Å; L822-K824 VanDerWaalsContact C-N 3.29Å; L822-K824 PolarHBondContact O-N 2.89Å; K824-K827 PolarHBondContact O-N 3.19Å; K824-T828 WeakPolarHBondContact O-CB 3.5Å; K824-T828 PolarHBondContact O-N 3.12Å; K824-T828 PolarHBondContact O-OG1 3.24Å
825S76.8Confident72Confident17 Ų1773.5 Ų73.512%0.11940%0.404CS..Hα-helixtrans-64.7-41.217861.40000111.5L821 L822 T828 E829L821-S825 PolarHBondContact O-N 3.07Å; L821-S825 PolarHBondContact O-OG 2.92Å; L822-S825 PolarHBondContact O-N 3.39Å; L822-S825 PolarHBondContact O-OG 3.17Å; S825-T828 PolarHBondContact O-N 3.4Å; S825-E829 PolarHBondContact O-N 3.42Å
826L74.4Confident69.7Low54 Ų5479 Ų7928%0.28344%0.438SS..Hα-helixtrans-62-45.4174-67.4173.9000112.6L785 L822 T828 E829 M830L785-L826 HydrophobicContact CD2-CD2 3.4Å; L785-L826 VanDerWaalsContact CD2-CD2 3.4Å; L785-L826 HydrophobicContact CG-CD2 4.36Å; L822-L826 HydrophobicContact CD1-CD1 4.48Å; L822-L826 HydrophobicContact CG-CD1 4.21Å; L822-L826 WeakPolarHBondContact O-CB 3.21Å; L822-L826 WeakPolarHBondContact O-CG 3.47Å; L822-L826 PolarHBondContact O-N 3.45Å; L826-T828 VanDerWaalsContact C-N 3.3Å; L826-T828 PolarHBondContact O-N 3.36Å; L826-E829 PolarHBondContact O-N 3.27Å; L826-M830 WeakPolarHBondContact O-CG 3.35Å; L826-M830 PolarHBondContact O-N 3.01Å; L826-M830 VanDerWaalsContact O-N 3.15Å
827K74.5Confident67.2Low133 Ų13383 Ų8358%0.57846%0.455SS*.Hα-helixtrans-65.2-31.7178-76.5169.3-176.6164.30113.1E823 K824 E829 M830 N831E823-K827 WeakPolarHBondContact O-CB 3.45Å; E823-K827 WeakPolarHBondContact O-CD 3.39Å; E823-K827 WeakPolarHBondContact O-CG 3.45Å; E823-K827 PolarHBondContact O-N 3.1Å; E823-K827 IonicContact OE2-NZ 3.77Å; K824-K827 PolarHBondContact O-N 3.19Å; K827-E829 VanDerWaalsContact C-N 3.35Å; K827-M830 PolarHBondContact O-N 3.35Å; K827-N831 PolarHBondContact O-N 2.89Å
828T70Confident64.8Low64 Ų6486.9 Ų86.939%0.39347%0.473SS..Hα-helixtrans-67.8-35.9-179.8-53.50000111.3K824 S825 L826K824-T828 WeakPolarHBondContact O-CB 3.5Å; K824-T828 PolarHBondContact O-N 3.12Å; K824-T828 PolarHBondContact O-OG1 3.24Å; S825-T828 PolarHBondContact O-N 3.4Å; L826-T828 VanDerWaalsContact C-N 3.3Å; L826-T828 PolarHBondContact O-N 3.36Å
829E65.1Low62.3Low61 Ų6195.5 Ų95.529%0.28553%0.534SS..Hα-helixtrans-79.3-31.7175.9-69.6-70.5155.500112.8S781 Q782 L785 S825 L826 K827 N831S781-E829 VanDerWaalsContact CB-OE1 3.3Å; S781-E829 WeakPolarHBondContact CB-OE1 3.49Å; S781-E829 PolarHBondContact OG-OE1 3.01Å; Q782-E829 VanDerWaalsContact CD-OE1 3.28Å; Q782-E829 VanDerWaalsContact CG-OE1 3.3Å; Q782-E829 WeakPolarHBondContact CG-OE1 3.34Å; Q782-E829 PolarHBondContact N-OE1 3.06Å; Q782-E829 PolarHBondContact NE2-OE1 3.14Å; L785-E829 HydrophobicContact CD1-CB 3.85Å; L785-E829 HydrophobicContact CD1-CG 3.79Å; S825-E829 PolarHBondContact O-N 3.42Å; L826-E829 PolarHBondContact O-N 3.27Å; K827-E829 VanDerWaalsContact C-N 3.35Å; E829-N831 VanDerWaalsContact C-N 3.27Å; E829-N831 PolarHBondContact O-N 3.49Å
830M59.7Low61Low159 Ų15998.9 Ų98.978%0.78355%0.553SS**Hα-helixtrans-74.6-11.5177.5-68.2-176.477.700114L826 K827L826-M830 WeakPolarHBondContact O-CG 3.35Å; L826-M830 PolarHBondContact O-N 3.01Å; L826-M830 VanDerWaalsContact O-N 3.15Å; K827-M830 PolarHBondContact O-N 3.35Å
831N55.3Low59.6Low114 Ų11499.4 Ų99.461%0.6155%0.554SS**  trans-137.269.7-177.4-115.9-11.7000112.8K827 E829 A833K827-N831 PolarHBondContact O-N 2.89Å; E829-N831 VanDerWaalsContact C-N 3.27Å; E829-N831 PolarHBondContact O-N 3.49Å; N831-A833 PolarHBondContact O-N 3.17Å; N831-A833 VanDerWaalsContact O-N 3.1Å
832P49.7Very low58.1Low101 Ų101102.6 Ų102.666%0.65657%0.573SS**G310 helixtrans-66.3-11.7-178.924.2-32000114.5
833A43.1Very low56.6Low76 Ų76108.5 Ų108.563%0.62861%0.605SS**G310 helixtrans-80.6-11.2-175.600000115.4N831N831-A833 PolarHBondContact O-N 3.17Å; N831-A833 VanDerWaalsContact O-N 3.1Å
834A42.3Very low54.9Low78 Ų78110.9 Ų110.965%0.64562%0.623SS**G310 helixtrans-86.5-14.3-17600000114.5
835L40.7Very low53.1Low135 Ų135109.1 Ų109.171%0.70763%0.625SS**THydrogen-bonded Turntrans-85.7-6.8-176.8-84.5158.1000114.5
836V38.4Very low51.4Low116 Ų116115.7 Ų115.770%0.70366%0.661SS**THydrogen-bonded Turntrans-88.8-11.2-178.2-178.20000112.8
837L37Very low49.7Very low157 Ų157120.5 Ų120.582%0.82269%0.69SS**SBendtrans-103.16.7-172.7-84.1161.7000115.9
838Q36.1Very low47.6Very low191 Ų191119.4 Ų119.489%0.89370%0.699SS**  trans-136.367.2170.2-71.4-172.1-14.300110.1
839S33.7Very low45.5Very low181 Ų181124.5 Ų124.5100%1.26673%0.727SS**  trans-108016050.30000110.8

Retrieved 839 of 839 residues in 3043.3 ms (Link to these results)

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