A0A060W8L7_ONCMY Loading...

Retinal outer segment membrane protein 1a

AlphaFold DB , UniProt , Accession A0A060W8L7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 345 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
1M54.7Low75.5Confident194 Ų19498.4 Ų98.496%0.95648%0.477SS*.  0121.40-177-174.1-130.400107
2V66.6Low76.3Confident65 Ų65100.9 Ų100.939%0.39448%0.484SS..  trans-83.5126.4-178.3-178.60000109.3K5 Y306V2-K5 HydrophobicContact CG1-CB 4.35Å; V2-Y306 HydrophobicContact CG1-CD1 4.06Å; V2-Y306 HydrophobicContact CG1-CD2 3.86Å; V2-Y306 HydrophobicContact CG1-CG 3.47Å; V2-Y306 VanDerWaalsContact CG1-CG 3.47Å
3L66.6Low76.8Confident64 Ų6494.1 Ų94.134%0.33545%0.45SS..BIsolated β-bridgetrans-95.8136.6-175.6-93.5144.7000111.7K5 L307 L308 V312L3-K5 PolarHBondContact O-N 2.74Å; L3-L307 PolarHBondContact O-N 2.86Å; L3-L308 HydrophobicContact CB-CB 4.24Å; L3-L308 HydrophobicContact CD1-CD1 4.36Å; L3-L308 PolarHBondContact N-O 3Å; L3-L308 VanDerWaalsContact N-O 3.12Å; L3-V312 HydrophobicContact CD1-CG2 4.28Å
4M73.9Confident77.3Confident133 Ų13392.3 Ų92.366%0.65544%0.442SS*.SBendtrans51.451.3179.9-62.1-166.8169.900114.5Y285M4-Y285 WeakPolarHBondContact CB-OH 3.41Å; M4-Y285 VanDerWaalsContact O-CE1 3.3Å; M4-Y285 WeakPolarHBondContact O-CE1 3.35Å; M4-Y285 PolarHBondContact O-OH 3.08Å
5K80.1Confident78Confident109 Ų10995.5 Ų95.547%0.47445%0.454SS..  trans-70131.8177.6-173.6177.4179.9177.10111.6V2 L3 E304V2-K5 HydrophobicContact CG1-CB 4.35Å; L3-K5 PolarHBondContact O-N 2.74Å; K5-E304 WeakPolarHBondContact CE-OE1 3.46Å; K5-E304 WeakPolarHBondContact CE-OE2 3.34Å; K5-E304 IonicContact NZ-OE1 4Å; K5-E304 PolarHBondContact NZ-OE1 3.09Å; K5-E304 IonicContact NZ-OE2 2.76Å; K5-E304 PolarHBondContact NZ-OE2 3.35Å
6M81.6Confident78.5Confident88 Ų8892.1 Ų92.143%0.43344%0.438SS..EExtended strand (participates in β ladder)trans-134145.9175.4-71.5-168.8-77.700111.2F8 Y285 E304 G305M6-F8 HydrophobicContact CB-CD2 4.46Å; M6-F8 HydrophobicContact CB-CE2 3.77Å; M6-F8 HydrophobicContact CB-CZ 4.13Å; M6-F8 HydrophobicContact CE-CZ 4.16Å; M6-Y285 HydrophobicContact CE-CD1 3.88Å; M6-Y285 HydrophobicContact CE-CD2 4.22Å; M6-Y285 HydrophobicContact CE-CE1 3.39Å; M6-Y285 HydrophobicContact CE-CE2 3.77Å; M6-Y285 HydrophobicContact CE-CG 4.27Å; M6-E304 WeakPolarHBondContact O-CA 3.36Å; M6-G305 PolarHBondContact N-O 3.43Å; M6-G305 PolarHBondContact O-N 2.94Å
7K83.7Confident79Confident138 Ų13886.8 Ų86.860%0.641%0.413SS*.EExtended strand (participates in β ladder)trans-91.4133.1175-67.4-171.7174.7-169.10110.9
8F79.1Confident79.5Confident23 Ų2387.3 Ų87.310%0.10142%0.416CS..EExtended strand (participates in β ladder)trans-122.5106.7-179-70-82.3000110.8M6 K12 R13 L16 Y285 A289 T303M6-F8 HydrophobicContact CB-CD2 4.46Å; M6-F8 HydrophobicContact CB-CE2 3.77Å; M6-F8 HydrophobicContact CB-CZ 4.13Å; M6-F8 HydrophobicContact CE-CZ 4.16Å; F8-K12 HydrophobicContact CD1-CB 4.39Å; F8-R13 HydrophobicContact CB-CG 3.65Å; F8-R13 HydrophobicContact CG-CG 4.48Å; F8-L16 HydrophobicContact CD1-CD2 4.5Å; F8-L16 HydrophobicContact CE1-CD2 4Å; F8-L16 HydrophobicContact CZ-CD2 4.38Å; F8-Y285 AromaticContact CE2-CD1 3.98Å; F8-Y285 HydrophobicContact CE2-CD1 3.98Å; F8-Y285 HydrophobicContact CZ-CD1 4.23Å; F8-Y285 HydrophobicContact CZ-CG 4.43Å; F8-A289 HydrophobicContact CD2-CB 4.22Å; F8-T303 PolarHBondContact N-O 3.46Å; F8-T303 PolarHBondContact O-N 2.94Å; F8-T303 VanDerWaalsContact O-N 3.16Å; F8-T303 PolarHBondContact O-OG1 3.13Å
9P82.9Confident80.1Confident38 Ų3884.7 Ų84.725%0.24741%0.414CS..  trans-70.7163.7165.131.5-36.4000110.8E11 K12 R13P9-E11 PolarHBondContact O-N 2.78Å; P9-K12 HydrophobicContact CG-CB 3.92Å; P9-K12 HydrophobicContact CG-CD 3.85Å; P9-K12 HydrophobicContact CG-CG 3.7Å; P9-K12 PolarHBondContact O-N 3.46Å; P9-K12 VanDerWaalsContact O-N 3.07Å; P9-R13 PolarHBondContact O-N 3.19Å; P9-R13 VanDerWaalsContact O-N 3.1Å
10F78.9Confident80.6Confident90 Ų9080.8 Ų80.840%0.39540%0.395SS..Hα-helixtrans-50.2-51.3-176.7-177.3-104000113.3K12 R13 M14 E300F10-K12 VanDerWaalsContact C-N 3.32Å; F10-K12 PolarHBondContact O-N 2.99Å; F10-R13 WeakPolarHBondContact O-CB 3.35Å; F10-R13 PolarHBondContact O-N 3.4Å; F10-R13 VanDerWaalsContact O-N 3.16Å; F10-M14 PolarHBondContact O-N 3.23Å; F10-E300 HydrophobicContact CG-CG 4.43Å
11E83.1Confident81.2Confident140 Ų14081.3 Ų81.365%0.65439%0.393SS*.Hα-helixtrans-60.3-38179.7-64.3-169.7172.800113.7P9 M14 K15P9-E11 PolarHBondContact O-N 2.78Å; E11-M14 PolarHBondContact O-N 2.9Å; E11-K15 WeakPolarHBondContact O-CG 3.36Å; E11-K15 PolarHBondContact O-N 3.46Å
12K84.4Confident82.9Confident129 Ų12977.1 Ų77.156%0.56137%0.374SS*.Hα-helixtrans-71-34.4178.9-71.3-168.7-166.8172.90111.5F8 P9 F10 L16F8-K12 HydrophobicContact CD1-CB 4.39Å; P9-K12 HydrophobicContact CG-CB 3.92Å; P9-K12 HydrophobicContact CG-CD 3.85Å; P9-K12 HydrophobicContact CG-CG 3.7Å; P9-K12 PolarHBondContact O-N 3.46Å; P9-K12 VanDerWaalsContact O-N 3.07Å; F10-K12 VanDerWaalsContact C-N 3.32Å; F10-K12 PolarHBondContact O-N 2.99Å; K12-L16 VanDerWaalsContact O-CB 3.26Å; K12-L16 WeakPolarHBondContact O-CB 3.41Å; K12-L16 PolarHBondContact O-N 3.09Å
13R82.9Confident84.2Confident12 Ų1276.6 Ų76.65%0.04537%0.369CS..Hα-helixtrans-64.4-44173.2-66.6-177.3-70.6-163.52.7111.3F8 P9 F10 L16 A17 T299 I301 T303F8-R13 HydrophobicContact CB-CG 3.65Å; F8-R13 HydrophobicContact CG-CG 4.48Å; P9-R13 PolarHBondContact O-N 3.19Å; P9-R13 VanDerWaalsContact O-N 3.1Å; F10-R13 WeakPolarHBondContact O-CB 3.35Å; F10-R13 PolarHBondContact O-N 3.4Å; F10-R13 VanDerWaalsContact O-N 3.16Å; R13-L16 PolarHBondContact O-N 2.9Å; R13-A17 WeakPolarHBondContact O-CB 3.41Å; R13-A17 PolarHBondContact O-N 3.38Å; R13-T299 PolarHBondContact NH2-O 3.2Å; R13-I301 VanDerWaalsContact CZ-O 3.28Å; R13-I301 PolarHBondContact NH1-O 3.11Å; R13-I301 PolarHBondContact NH2-O 3.49Å; R13-T303 WeakPolarHBondContact CD-OG1 3.18Å; R13-T303 PolarHBondContact NH1-OG1 2.76Å
14M83.8Confident85.5Confident69 Ų6973.6 Ų73.634%0.3435%0.353SS..Hα-helixtrans-60-48.5177.4-164.771173.500111.4F10 E11 L16 A17 Q18 L86F10-M14 PolarHBondContact O-N 3.23Å; E11-M14 PolarHBondContact O-N 2.9Å; M14-L16 PolarHBondContact O-N 3.02Å; M14-A17 PolarHBondContact O-N 3.47Å; M14-Q18 WeakPolarHBondContact O-CG 3.5Å; M14-Q18 PolarHBondContact O-N 3.16Å; M14-L86 HydrophobicContact CE-CD2 3.89Å; M14-L86 HydrophobicContact CG-CD2 4.48Å; M14-L86 HydrophobicContact SD-CD2 3.41Å; M14-L86 WeakPolarHBondContact SD-CD2 3.38Å
15K87.9Confident86.4Confident141 Ų14172.4 Ų72.461%0.61334%0.341SS*.Hα-helixtrans-63.3-40176.5-72.9177.1-179.7170.20112.4E11 G19E11-K15 WeakPolarHBondContact O-CG 3.36Å; E11-K15 PolarHBondContact O-N 3.46Å; K15-G19 PolarHBondContact O-N 3.36Å
16L86Confident87Confident40 Ų4073 Ų7321%0.20935%0.347CS..Hα-helixtrans-61.9-47.4176-179.966.2000111.3F8 K12 R13 M14 G19 L20 L286F8-L16 HydrophobicContact CD1-CD2 4.5Å; F8-L16 HydrophobicContact CE1-CD2 4Å; F8-L16 HydrophobicContact CZ-CD2 4.38Å; K12-L16 VanDerWaalsContact O-CB 3.26Å; K12-L16 WeakPolarHBondContact O-CB 3.41Å; K12-L16 PolarHBondContact O-N 3.09Å; R13-L16 PolarHBondContact O-N 2.9Å; M14-L16 PolarHBondContact O-N 3.02Å; L16-G19 PolarHBondContact O-N 3.48Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 3.45Å; L16-L286 HydrophobicContact CD2-CB 4.23Å; L16-L286 HydrophobicContact CD2-CD1 4.38Å
17A87Confident87.6Confident2 Ų268.8 Ų68.82%0.01733%0.327CS..Hα-helixtrans-65.4-41.4179.900000112.3R13 M14 L20 W21 L86 L286R13-A17 WeakPolarHBondContact O-CB 3.41Å; R13-A17 PolarHBondContact O-N 3.38Å; M14-A17 PolarHBondContact O-N 3.47Å; A17-L20 PolarHBondContact O-N 3.05Å; A17-W21 WeakPolarHBondContact O-CB 3.44Å; A17-W21 PolarHBondContact O-N 3.28Å; A17-L86 HydrophobicContact CB-CD2 3.51Å; A17-L86 HydrophobicContact CB-CG 4.34Å; A17-L286 HydrophobicContact CB-CD1 4.22Å; A17-L286 HydrophobicContact CB-CD2 4Å
18Q88.5Confident88.2Confident97 Ų9763 Ų6345%0.45330%0.303SS..Hα-helixtrans-63.3-46.1173.7-73.1176.4-10.600112.4M14 W21 L22M14-Q18 WeakPolarHBondContact O-CG 3.5Å; M14-Q18 PolarHBondContact O-N 3.16Å; Q18-W21 PolarHBondContact O-N 3.37Å; Q18-L22 PolarHBondContact O-N 2.98Å; Q18-L22 VanDerWaalsContact O-N 3.16Å
19G89.8Confident88.9Confident38 Ų3867.6 Ų67.639%0.39233%0.328SS..Hα-helixtrans-63.5-42.2177.300000112.2K15 L16 L22 L23K15-G19 PolarHBondContact O-N 3.36Å; L16-G19 PolarHBondContact O-N 3.48Å; G19-L22 PolarHBondContact O-N 3.2Å; G19-L23 WeakPolarHBondContact O-CB 3.19Å; G19-L23 PolarHBondContact O-N 3.33Å
20L90.6Very high89.5Confident5 Ų566.7 Ų66.73%0.02632%0.323CS..Hα-helixtrans-67.5-35.6177.9-173.457.8000112.3L16 A17 L23 S24 C82 V279 L283 L286L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 3.45Å; A17-L20 PolarHBondContact O-N 3.05Å; L20-L23 PolarHBondContact O-N 3.05Å; L20-S24 VanDerWaalsContact O-CB 3.26Å; L20-S24 WeakPolarHBondContact O-CB 3.42Å; L20-S24 PolarHBondContact O-N 2.88Å; L20-S24 PolarHBondContact O-OG 3.16Å; L20-C82 WeakPolarHBondContact CD2-SG 3.3Å; L20-C82 WeakPolarHBondContact CG-SG 3.15Å; L20-V279 HydrophobicContact CD1-CB 4.26Å; L20-V279 HydrophobicContact CD1-CG1 3.96Å; L20-V279 HydrophobicContact CD1-CG2 4.41Å; L20-L283 HydrophobicContact CD2-CB 3.92Å; L20-L283 HydrophobicContact CD2-CD1 3.91Å; L20-L286 HydrophobicContact CD2-CD2 4.14Å
21W92.3Very high90.3Very high92 Ų9262.4 Ų62.435%0.34830%0.304SS..Hα-helixtrans-60.1-49.5172.8176.485.9000111.4A17 Q18 L23 S24 W25 C82A17-W21 WeakPolarHBondContact O-CB 3.44Å; A17-W21 PolarHBondContact O-N 3.28Å; Q18-W21 PolarHBondContact O-N 3.37Å; W21-L23 PolarHBondContact O-N 2.8Å; W21-S24 PolarHBondContact O-N 2.93Å; W21-W25 AromaticContact CD1-NE1 3.94Å; W21-W25 AromaticContact CD2-CD1 3.89Å; W21-W25 AromaticContact CE2-CD1 3.53Å; W21-W25 AromaticContact CE2-NE1 3.31Å; W21-W25 VanDerWaalsContact CE2-NE1 3.31Å; W21-W25 AromaticContact CZ2-CD1 3.8Å; W21-W25 AromaticContact CZ2-NE1 3.51Å; W21-W25 AromaticContact NE1-CD1 3.75Å; W21-W25 AromaticContact NE1-NE1 3.22Å; W21-W25 VanDerWaalsContact O-CD1 3.27Å; W21-W25 PolarHBondContact O-N 3.1Å; W21-W25 VanDerWaalsContact O-N 3.15Å; W21-C82 HydrophobicContact CB-CB 4.16Å
22L91.8Very high90.9Very high106 Ų10657.5 Ų57.556%0.55529%0.288SS*.Hα-helixtrans-59.5-47175.6-72.6171.9000111.7Q18 G19 S24 W25 M26Q18-L22 PolarHBondContact O-N 2.98Å; Q18-L22 VanDerWaalsContact O-N 3.16Å; G19-L22 PolarHBondContact O-N 3.2Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 3.42Å; L22-W25 PolarHBondContact O-N 3.3Å; L22-M26 WeakPolarHBondContact O-CG 3.41Å; L22-M26 PolarHBondContact O-N 2.99Å; L22-M26 VanDerWaalsContact O-N 3.08Å
23L92.6Very high91.5Very high55 Ų5555.6 Ų55.629%0.28828%0.283SS..Hα-helixtrans-63.7-37.5-179-169.165.7000112.1G19 L20 W21 M26 A27 V275 V279G19-L23 WeakPolarHBondContact O-CB 3.19Å; G19-L23 PolarHBondContact O-N 3.33Å; L20-L23 PolarHBondContact O-N 3.05Å; W21-L23 PolarHBondContact O-N 2.8Å; L23-M26 PolarHBondContact O-N 3.38Å; L23-A27 VanDerWaalsContact O-CB 3.32Å; L23-A27 WeakPolarHBondContact O-CB 3.29Å; L23-A27 PolarHBondContact O-N 3.04Å; L23-V275 HydrophobicContact CD1-CG1 3.99Å; L23-V275 HydrophobicContact CG-CG1 4.4Å; L23-V279 HydrophobicContact CB-CG2 4.29Å; L23-V279 HydrophobicContact CD2-CG2 3.64Å; L23-V279 HydrophobicContact CG-CG2 3.59Å
24S93.9Very high92.1Very high0 Ų055 Ų550%028%0.281CS..Hα-helixtrans-66.9-38.2177.4-59.10000111.7L20 W21 L22 A27 T28 N75L20-S24 VanDerWaalsContact O-CB 3.26Å; L20-S24 WeakPolarHBondContact O-CB 3.42Å; L20-S24 PolarHBondContact O-N 2.88Å; L20-S24 PolarHBondContact O-OG 3.16Å; W21-S24 PolarHBondContact O-N 2.93Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 3.42Å; S24-A27 PolarHBondContact O-N 3.36Å; S24-T28 PolarHBondContact O-N 3.14Å; S24-T28 PolarHBondContact O-OG1 3.48Å; S24-N75 WeakPolarHBondContact O-CB 3.49Å
25W93.6Very high92.7Very high108 Ų10854.5 Ų54.541%0.40928%0.277SS..Hα-helixtrans-65.6-42.3173.1-81.9109.8000112.5W21 L22 A27 T28 L29 Y76W21-W25 AromaticContact CD1-NE1 3.94Å; W21-W25 AromaticContact CD2-CD1 3.89Å; W21-W25 AromaticContact CE2-CD1 3.53Å; W21-W25 AromaticContact CE2-NE1 3.31Å; W21-W25 VanDerWaalsContact CE2-NE1 3.31Å; W21-W25 AromaticContact CZ2-CD1 3.8Å; W21-W25 AromaticContact CZ2-NE1 3.51Å; W21-W25 AromaticContact NE1-CD1 3.75Å; W21-W25 AromaticContact NE1-NE1 3.22Å; W21-W25 VanDerWaalsContact O-CD1 3.27Å; W21-W25 PolarHBondContact O-N 3.1Å; W21-W25 VanDerWaalsContact O-N 3.15Å; L22-W25 PolarHBondContact O-N 3.3Å; W25-A27 VanDerWaalsContact C-N 3.33Å; W25-A27 PolarHBondContact O-N 3.07Å; W25-T28 WeakPolarHBondContact O-CB 3.38Å; W25-T28 PolarHBondContact O-N 3.3Å; W25-L29 PolarHBondContact O-N 3.3Å; W25-L29 VanDerWaalsContact O-N 3.15Å; W25-Y76 HydrophobicContact CH2-CD2 4.19Å; W25-Y76 HydrophobicContact CH2-CE2 4.19Å
26M92.9Very high93.2Very high121 Ų12151.4 Ų51.460%0.59627%0.27SS*.Hα-helixtrans-61-43173.2-69.5-60.8-64.200111.7L22 L23 T28 L29 A30L22-M26 WeakPolarHBondContact O-CG 3.41Å; L22-M26 PolarHBondContact O-N 2.99Å; L22-M26 VanDerWaalsContact O-N 3.08Å; L23-M26 PolarHBondContact O-N 3.38Å; M26-T28 VanDerWaalsContact C-N 3.29Å; M26-T28 PolarHBondContact O-N 3.19Å; M26-L29 PolarHBondContact O-N 3.31Å; M26-A30 PolarHBondContact O-N 2.99Å
27A94.4Very high93.6Very high1 Ų151.3 Ų51.31%0.00827%0.27CS..Hα-helixtrans-66-30.7176.700000112.4L23 S24 W25 A30 G31 N75 V275 V279L23-A27 VanDerWaalsContact O-CB 3.32Å; L23-A27 WeakPolarHBondContact O-CB 3.29Å; L23-A27 PolarHBondContact O-N 3.04Å; S24-A27 PolarHBondContact O-N 3.36Å; W25-A27 VanDerWaalsContact C-N 3.33Å; W25-A27 PolarHBondContact O-N 3.07Å; A27-A30 WeakPolarHBondContact O-CB 3.33Å; A27-A30 PolarHBondContact O-N 3.34Å; A27-G31 PolarHBondContact O-N 3.24Å; A27-N75 HydrophobicContact CB-CB 4.04Å; A27-N75 WeakPolarHBondContact CB-ND2 3.33Å; A27-N75 WeakPolarHBondContact CB-OD1 3.3Å; A27-N75 PolarHBondContact O-ND2 3.19Å; A27-V275 HydrophobicContact CB-CG1 4.08Å; A27-V279 HydrophobicContact CB-CG2 4.22Å
28T95.4Very high94.1Very high17 Ų1751.2 Ų51.210%0.10427%0.269CS..Hα-helixtrans-63.5-47.9172.6-55.40000110.6S24 W25 M26 A30 G31 A32 L72 N75 Y76S24-T28 PolarHBondContact O-N 3.14Å; S24-T28 PolarHBondContact O-OG1 3.48Å; W25-T28 WeakPolarHBondContact O-CB 3.38Å; W25-T28 PolarHBondContact O-N 3.3Å; M26-T28 VanDerWaalsContact C-N 3.29Å; M26-T28 PolarHBondContact O-N 3.19Å; T28-A30 VanDerWaalsContact C-N 3.3Å; T28-A30 PolarHBondContact O-N 2.86Å; T28-G31 PolarHBondContact O-N 3.14Å; T28-G31 VanDerWaalsContact O-N 3.13Å; T28-A32 PolarHBondContact O-N 3.35Å; T28-A32 VanDerWaalsContact O-N 3.11Å; T28-L72 HydrophobicContact CG2-CD2 3.75Å; T28-L72 WeakPolarHBondContact O-CD2 3.45Å; T28-N75 VanDerWaalsContact OG1-CB 3.3Å; T28-N75 WeakPolarHBondContact OG1-CB 3.17Å; T28-Y76 PolarHBondContact OG1-N 3.06Å
29L94.8Very high94.5Very high118 Ų11848.5 Ų48.562%0.61826%0.26SS*.Hα-helixtrans-61.2-39.9175.2-65.2174.8000111.9W25 M26 G31 A32 L33W25-L29 PolarHBondContact O-N 3.3Å; W25-L29 VanDerWaalsContact O-N 3.15Å; M26-L29 PolarHBondContact O-N 3.31Å; L29-G31 VanDerWaalsContact C-N 3.33Å; L29-G31 PolarHBondContact O-N 3.48Å; L29-A32 PolarHBondContact O-N 3.08Å; L29-L33 PolarHBondContact O-N 3.37Å
30A94.9Very high94.8Very high19 Ų1951.3 Ų51.316%0.15726%0.262CS..Hα-helixtrans-63.3-36.8174.400000112.7M26 A27 T28 L33 T34 I272M26-A30 PolarHBondContact O-N 2.99Å; A27-A30 WeakPolarHBondContact O-CB 3.33Å; A27-A30 PolarHBondContact O-N 3.34Å; T28-A30 VanDerWaalsContact C-N 3.3Å; T28-A30 PolarHBondContact O-N 2.86Å; A30-L33 PolarHBondContact O-N 3.15Å; A30-T34 PolarHBondContact O-N 3.28Å; A30-T34 PolarHBondContact O-OG1 3.3Å; A30-I272 HydrophobicContact CB-CB 4.49Å; A30-I272 HydrophobicContact CB-CD1 4.08Å; A30-I272 HydrophobicContact CB-CG1 3.94Å; A30-I272 HydrophobicContact CB-CG2 3.87Å
31G95.5Very high95Very high0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-60.6-44.2172.400000112.5A27 T28 L29 T34 F35A27-G31 PolarHBondContact O-N 3.24Å; T28-G31 PolarHBondContact O-N 3.14Å; T28-G31 VanDerWaalsContact O-N 3.13Å; L29-G31 VanDerWaalsContact C-N 3.33Å; L29-G31 PolarHBondContact O-N 3.48Å; G31-T34 WeakPolarHBondContact O-CB 3.47Å; G31-T34 PolarHBondContact O-N 3.45Å; G31-F35 PolarHBondContact O-N 3.01Å
32A96.4Very high95.1Very high37 Ų3747.6 Ų47.631%0.30625%0.248SC..Hα-helixtrans-61.2-45.6174.100000111.6T28 L29 T34 F35 T36 L72T28-A32 PolarHBondContact O-N 3.35Å; T28-A32 VanDerWaalsContact O-N 3.11Å; L29-A32 PolarHBondContact O-N 3.08Å; A32-T34 VanDerWaalsContact C-N 3.3Å; A32-T34 PolarHBondContact O-N 3.2Å; A32-F35 PolarHBondContact O-N 3.48Å; A32-T36 WeakPolarHBondContact O-CG2 3.32Å; A32-T36 PolarHBondContact O-N 3.34Å; A32-T36 PolarHBondContact O-OG1 3.2Å; A32-L72 HydrophobicContact CB-CD1 4.29Å; A32-L72 HydrophobicContact CB-CD2 3.9Å; A32-L72 HydrophobicContact CB-CG 4.46Å
33L95.4Very high95.2Very high89 Ų8946.5 Ų46.547%0.46625%0.246SC..Hα-helixtrans-57.3-45.9175.8-178.364.3000110.9L29 A30 F35 T36 L37L29-L33 PolarHBondContact O-N 3.37Å; A30-L33 PolarHBondContact O-N 3.15Å; L33-F35 VanDerWaalsContact C-N 3.35Å; L33-F35 PolarHBondContact O-N 3.15Å; L33-T36 WeakPolarHBondContact CA-OG1 3.47Å; L33-T36 PolarHBondContact O-N 3.48Å; L33-T36 VanDerWaalsContact O-N 3.17Å; L33-T36 PolarHBondContact O-OG1 2.95Å; L33-L37 HydrophobicContact CD1-CG 4.47Å; L33-L37 HydrophobicContact CG-CD1 4.22Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.2Å
34T96Very high95.2Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-58.1-46177.8-56.40000111.6A30 G31 A32 T36 L37 G38 L64 V67 V269 I272A30-T34 PolarHBondContact O-N 3.28Å; A30-T34 PolarHBondContact O-OG1 3.3Å; G31-T34 WeakPolarHBondContact O-CB 3.47Å; G31-T34 PolarHBondContact O-N 3.45Å; A32-T34 VanDerWaalsContact C-N 3.3Å; A32-T34 PolarHBondContact O-N 3.2Å; T34-T36 PolarHBondContact O-N 3.08Å; T34-L37 PolarHBondContact O-N 3.42Å; T34-G38 PolarHBondContact O-N 3.48Å; T34-L64 HydrophobicContact CG2-CD1 3.44Å; T34-L64 VanDerWaalsContact CG2-CD1 3.44Å; T34-L64 HydrophobicContact CG2-CG 4Å; T34-V67 HydrophobicContact CG2-CG2 4.44Å; T34-V269 HydrophobicContact CG2-CG2 4.37Å; T34-I272 VanDerWaalsContact OG1-CD1 3.23Å; T34-I272 WeakPolarHBondContact OG1-CD1 3.36Å
35F97.6Very high95.1Very high59 Ų5944.6 Ų44.626%0.25924%0.235SC..Hα-helixtrans-60.6-45.6175.8177.3-107.3000112G31 A32 L33 L37 G38 C39 M65 L69G31-F35 PolarHBondContact O-N 3.01Å; A32-F35 PolarHBondContact O-N 3.48Å; L33-F35 VanDerWaalsContact C-N 3.35Å; L33-F35 PolarHBondContact O-N 3.15Å; F35-L37 PolarHBondContact O-N 3.04Å; F35-G38 PolarHBondContact O-N 3.5Å; F35-C39 PolarHBondContact O-N 3.31Å; F35-M65 HydrophobicContact CD2-CB 4.16Å; F35-M65 HydrophobicContact CD2-CG 4.42Å; F35-M65 WeakPolarHBondContact CD2-O 3.18Å; F35-M65 HydrophobicContact CE2-CB 4.14Å; F35-M65 HydrophobicContact CE2-CE 4.17Å; F35-M65 HydrophobicContact CE2-CG 4.34Å; F35-L69 HydrophobicContact CD2-CD1 4.09Å; F35-L69 HydrophobicContact CD2-CD2 3.87Å; F35-L69 HydrophobicContact CD2-CG 3.53Å; F35-L69 HydrophobicContact CE2-CD1 3.67Å; F35-L69 HydrophobicContact CE2-CD2 3.88Å; F35-L69 HydrophobicContact CE2-CG 3.61Å; F35-L69 HydrophobicContact CG-CD2 4.2Å; F35-L69 HydrophobicContact CG-CG 4.27Å; F35-L69 HydrophobicContact CZ-CD1 4.42Å; F35-L69 HydrophobicContact CZ-CD2 4.22Å; F35-L69 HydrophobicContact CZ-CG 4.41Å
36T97Very high95Very high76 Ų7647.2 Ų47.247%0.46625%0.245SC..Hα-helixtrans-63.2-39.5178.560.30000112.4A32 L33 T34 G38 C39 F40A32-T36 WeakPolarHBondContact O-CG2 3.32Å; A32-T36 PolarHBondContact O-N 3.34Å; A32-T36 PolarHBondContact O-OG1 3.2Å; L33-T36 WeakPolarHBondContact CA-OG1 3.47Å; L33-T36 PolarHBondContact O-N 3.48Å; L33-T36 VanDerWaalsContact O-N 3.17Å; L33-T36 PolarHBondContact O-OG1 2.95Å; T34-T36 PolarHBondContact O-N 3.08Å; T36-G38 VanDerWaalsContact C-N 3.34Å; T36-C39 PolarHBondContact O-N 2.93Å; T36-F40 WeakPolarHBondContact O-CB 3.38Å; T36-F40 PolarHBondContact O-N 3.42Å
37L96.1Very high94.8Very high38 Ų3847.6 Ų47.620%0.19924%0.24CC..Hα-helixtrans-64.6-38174.1-68.3174.8000111.8L33 T34 F35 F40 L41 L64 I265L33-L37 HydrophobicContact CD1-CG 4.47Å; L33-L37 HydrophobicContact CG-CD1 4.22Å; L33-L37 WeakPolarHBondContact O-CG 3.49Å; L33-L37 PolarHBondContact O-N 3.2Å; T34-L37 PolarHBondContact O-N 3.42Å; F35-L37 PolarHBondContact O-N 3.04Å; L37-F40 PolarHBondContact O-N 3.42Å; L37-L41 WeakPolarHBondContact O-CB 3.26Å; L37-L41 PolarHBondContact O-N 2.95Å; L37-L64 HydrophobicContact CB-CD2 4.23Å; L37-I265 HydrophobicContact CB-CG2 4.37Å; L37-I265 HydrophobicContact CD2-CG1 4.39Å
38G96.3Very high94.4Very high0 Ų048.4 Ų48.40%024%0.243CC..Hα-helixtrans-59.7-49.2172.200000112.7T34 F35 T36 L41 K42T34-G38 PolarHBondContact O-N 3.48Å; F35-G38 PolarHBondContact O-N 3.5Å; T36-G38 VanDerWaalsContact C-N 3.34Å; G38-L41 PolarHBondContact O-N 3.36Å; G38-K42 VanDerWaalsContact O-CB 3.31Å; G38-K42 WeakPolarHBondContact O-CB 3.27Å; G38-K42 PolarHBondContact O-N 2.84Å
39C97.1Very high93.9Very high39 Ų3949.9 Ų49.926%0.26426%0.256SS..Hα-helixtrans-60-46.3174.8-71.30000111.7F35 T36 K42 T43F35-C39 PolarHBondContact O-N 3.31Å; T36-C39 PolarHBondContact O-N 2.93Å; C39-K42 WeakPolarHBondContact O-CB 3.3Å; C39-K42 PolarHBondContact O-N 3.49Å; C39-T43 WeakPolarHBondContact O-CG2 3.48Å; C39-T43 PolarHBondContact O-N 2.93Å; C39-T43 PolarHBondContact O-OG1 2.92Å; C39-T43 VanDerWaalsContact O-OG1 3.09Å
40F96.3Very high93.4Very high97 Ų9749.2 Ų49.243%0.42525%0.25SS..Hα-helixtrans-57.9-51.5178.6176.4-102.1000111.9T36 L37 K42 T43 E44 L261T36-F40 WeakPolarHBondContact O-CB 3.38Å; T36-F40 PolarHBondContact O-N 3.42Å; L37-F40 PolarHBondContact O-N 3.42Å; F40-K42 VanDerWaalsContact C-N 3.31Å; F40-K42 PolarHBondContact O-N 2.85Å; F40-T43 WeakPolarHBondContact CA-OG1 3.12Å; F40-T43 PolarHBondContact O-N 3.3Å; F40-T43 PolarHBondContact O-OG1 3.16Å; F40-E44 PolarHBondContact O-N 2.8Å; F40-L261 HydrophobicContact CD1-CD1 4.32Å; F40-L261 HydrophobicContact CD1-CD2 4.47Å; F40-L261 HydrophobicContact CE1-CD1 3.71Å; F40-L261 HydrophobicContact CE1-CD2 3.93Å; F40-L261 HydrophobicContact CE1-CG 4.46Å
41L94.7Very high93Very high0 Ų048.3 Ų48.30%024%0.243CC..Hα-helixtrans-62.4-39.5178.1-177.962.3000111.6L37 G38 T43 E44 L45 V60 P61 L261 M262 I265L37-L41 WeakPolarHBondContact O-CB 3.26Å; L37-L41 PolarHBondContact O-N 2.95Å; G38-L41 PolarHBondContact O-N 3.36Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.82Å; L41-E44 PolarHBondContact O-N 3.01Å; L41-L45 HydrophobicContact CD1-CD1 4.27Å; L41-L45 HydrophobicContact CD1-CG 4.46Å; L41-L45 HydrophobicContact CG-CD1 4.17Å; L41-L45 WeakPolarHBondContact O-CG 3.06Å; L41-L45 PolarHBondContact O-N 2.91Å; L41-V60 HydrophobicContact CD2-CG1 3.92Å; L41-P61 HydrophobicContact CB-CB 4.21Å; L41-P61 HydrophobicContact CD2-CB 4.14Å; L41-P61 HydrophobicContact CG-CB 4.08Å; L41-L261 HydrophobicContact CD1-CD2 3.58Å; L41-L261 HydrophobicContact CD1-CG 4.08Å; L41-M262 HydrophobicContact CD1-CG 4.49Å; L41-M262 HydrophobicContact CD2-CG 4.46Å; L41-I265 HydrophobicContact CB-CD1 4.05Å; L41-I265 HydrophobicContact CD1-CD1 4.46Å; L41-I265 HydrophobicContact CD2-CD1 4.3Å
42K94.6Very high92.6Very high20 Ų2049.6 Ų49.69%0.08725%0.249CC..Hα-helixtrans-60.5-44.4175.4-171.471.1179-177.30111.5G38 C39 F40 R46 P61 N62 M65G38-K42 VanDerWaalsContact O-CB 3.31Å; G38-K42 WeakPolarHBondContact O-CB 3.27Å; G38-K42 PolarHBondContact O-N 2.84Å; C39-K42 WeakPolarHBondContact O-CB 3.3Å; C39-K42 PolarHBondContact O-N 3.49Å; F40-K42 VanDerWaalsContact C-N 3.31Å; F40-K42 PolarHBondContact O-N 2.85Å; K42-R46 WeakPolarHBondContact O-CB 3.35Å; K42-R46 WeakPolarHBondContact O-CG 3.19Å; K42-R46 PolarHBondContact O-N 3.41Å; K42-P61 HydrophobicContact CB-CB 3.95Å; K42-P61 HydrophobicContact CD-CB 4.13Å; K42-P61 HydrophobicContact CD-CG 4.07Å; K42-N62 VanDerWaalsContact CE-OD1 3.3Å; K42-N62 WeakPolarHBondContact CE-OD1 3.48Å; K42-N62 PolarHBondContact NZ-OD1 3.43Å; K42-M65 HydrophobicContact CB-SD 4.34Å; K42-M65 HydrophobicContact CG-SD 4.45Å
43T94.5Very high92.1Very high83 Ų8351.9 Ų51.951%0.50926%0.256SS..Hα-helixtrans-67.5-42.1179.949.10000112C39 F40 L41 L45 R46 R47C39-T43 WeakPolarHBondContact O-CG2 3.48Å; C39-T43 PolarHBondContact O-N 2.93Å; C39-T43 PolarHBondContact O-OG1 2.92Å; C39-T43 VanDerWaalsContact O-OG1 3.09Å; F40-T43 WeakPolarHBondContact CA-OG1 3.12Å; F40-T43 PolarHBondContact O-N 3.3Å; F40-T43 PolarHBondContact O-OG1 3.16Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.82Å; T43-L45 PolarHBondContact O-N 3.48Å; T43-R46 PolarHBondContact O-N 3.27Å; T43-R47 WeakPolarHBondContact O-CB 3.48Å; T43-R47 PolarHBondContact O-N 3.4Å
44E92.5Very high91.4Very high15 Ų1549.2 Ų49.27%0.0724%0.242CC..Hα-helixtrans-66.1-40.9-179.8-16956.6-150.500111.2F40 L41 R47 R48 Y257 Y258F40-E44 PolarHBondContact O-N 2.8Å; L41-E44 PolarHBondContact O-N 3.01Å; E44-R47 WeakPolarHBondContact O-CB 3.26Å; E44-R47 PolarHBondContact O-N 3.42Å; E44-R47 IonicContact OE2-NH1 2.81Å; E44-R48 IonicContact OE1-CZ 3.82Å; E44-R48 IonicContact OE1-NE 3.82Å; E44-R48 IonicContact OE1-NH2 3.75Å; E44-R48 PolarHBondContact OE1-NH2 2.97Å; E44-Y257 HydrophobicContact CG-CE1 3.98Å; E44-Y258 HydrophobicContact CG-CE1 3.95Å; E44-Y258 PolarHBondContact O-OH 2.98Å
45L91.2Very high90.6Very high0 Ų054.5 Ų54.50%028%0.275CS..Hα-helixtrans-65-43.6173.6-72.2167.9000112.1L41 T43 R47 R48 A49 M52 I57 P61 Y258 M262L41-L45 HydrophobicContact CD1-CD1 4.27Å; L41-L45 HydrophobicContact CD1-CG 4.46Å; L41-L45 HydrophobicContact CG-CD1 4.17Å; L41-L45 WeakPolarHBondContact O-CG 3.06Å; L41-L45 PolarHBondContact O-N 2.91Å; T43-L45 PolarHBondContact O-N 3.48Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 2.82Å; L45-R48 CarbonylContact O-C 3.58Å; L45-R48 PolarHBondContact O-N 3.41Å; L45-A49 PolarHBondContact O-N 3.02Å; L45-M52 HydrophobicContact CB-CE 4.27Å; L45-M52 HydrophobicContact CD2-CE 3.97Å; L45-M52 HydrophobicContact CD2-SD 3.86Å; L45-M52 WeakPolarHBondContact O-CE 3.43Å; L45-I57 HydrophobicContact CD1-CG2 3.92Å; L45-I57 HydrophobicContact CD2-CG2 3.71Å; L45-I57 HydrophobicContact CG-CG2 4.45Å; L45-P61 HydrophobicContact CD1-CG 3.95Å; L45-Y258 HydrophobicContact CD2-CD1 3.88Å; L45-Y258 HydrophobicContact CD2-CE1 3.64Å; L45-Y258 HydrophobicContact CD2-CG 4.48Å; L45-Y258 HydrophobicContact CG-CE1 4.22Å; L45-M262 HydrophobicContact CD1-CE 4.5Å
46R90.8Very high89.8Confident163 Ų16356.5 Ų56.562%0.61529%0.285SS*.Hα-helixtrans-64.2-35.2178.3-82.8-175.1176.4167.11112.9K42 T43 R48 A49K42-R46 WeakPolarHBondContact O-CB 3.35Å; K42-R46 WeakPolarHBondContact O-CG 3.19Å; K42-R46 PolarHBondContact O-N 3.41Å; T43-R46 PolarHBondContact O-N 3.27Å; R46-R48 PolarHBondContact O-N 3.04Å; R46-R48 VanDerWaalsContact O-N 3.12Å; R46-A49 WeakPolarHBondContact O-CB 3.32Å; R46-A49 PolarHBondContact O-N 2.75Å; R46-A49 VanDerWaalsContact O-N 3.12Å
47R88.8Confident89.2Confident129 Ų12953 Ų5349%0.48726%0.263SS..Hα-helixtrans-57.1-27.2178.8-175.4177.5173.7-158.4-9112.5T43 E44 L45 E162T43-R47 WeakPolarHBondContact O-CB 3.48Å; T43-R47 PolarHBondContact O-N 3.4Å; E44-R47 WeakPolarHBondContact O-CB 3.26Å; E44-R47 PolarHBondContact O-N 3.42Å; E44-R47 IonicContact OE2-NH1 2.81Å; L45-R47 VanDerWaalsContact C-N 3.3Å; L45-R47 PolarHBondContact O-N 2.82Å; R47-E162 IonicContact NH2-OE1 2.66Å
48R85.7Confident88.8Confident18 Ų1853 Ų537%0.06826%0.262CS..THydrogen-bonded Turntrans-119.327.3-179.9-51.4-170.7-163.7-99.9-1.2112.4E44 L45 R46 E50 V51 M52 E162 F163 Y258E44-R48 IonicContact OE1-CZ 3.82Å; E44-R48 IonicContact OE1-NE 3.82Å; E44-R48 IonicContact OE1-NH2 3.75Å; E44-R48 PolarHBondContact OE1-NH2 2.97Å; L45-R48 CarbonylContact O-C 3.58Å; L45-R48 PolarHBondContact O-N 3.41Å; R46-R48 PolarHBondContact O-N 3.04Å; R46-R48 VanDerWaalsContact O-N 3.12Å; R48-E50 PolarHBondContact O-N 3.35Å; R48-V51 HydrophobicContact CB-CG2 3.92Å; R48-V51 WeakPolarHBondContact O-CG2 3.34Å; R48-V51 PolarHBondContact O-N 2.73Å; R48-V51 VanDerWaalsContact O-N 3.17Å; R48-M52 HydrophobicContact CB-CE 4.23Å; R48-M52 WeakPolarHBondContact O-CE 3.21Å; R48-E162 IonicContact CZ-OE1 2.83Å; R48-E162 IonicContact CZ-OE2 3.62Å; R48-E162 IonicContact NH1-OE2 3.67Å; R48-E162 PolarHBondContact NH1-OE2 3.19Å; R48-E162 IonicContact NH2-OE1 3.88Å; R48-E162 PolarHBondContact NH2-OE1 3.39Å; R48-E162 IonicContact NH2-OE2 3.48Å; R48-E162 PolarHBondContact NH2-OE2 3.19Å; R48-F163 VanDerWaalsContact NH1-CE2 3.3Å; R48-Y258 WeakPolarHBondContact CD-OH 3.34Å
49A86Confident88.5Confident47 Ų4754.5 Ų54.539%0.38828%0.275SS..G310 helixtrans-58.9-30.9-178.600000113L45 R46 V51 M52L45-A49 PolarHBondContact O-N 3.02Å; R46-A49 WeakPolarHBondContact O-CB 3.32Å; R46-A49 PolarHBondContact O-N 2.75Å; R46-A49 VanDerWaalsContact O-N 3.12Å; A49-V51 PolarHBondContact O-N 3.46Å; A49-V51 VanDerWaalsContact O-N 3.17Å; A49-M52 PolarHBondContact O-N 3.35Å; A49-M52 VanDerWaalsContact O-N 3.13Å
50E84.8Confident88.3Confident104 Ų10452.8 Ų52.849%0.48626%0.263SS..G310 helixtrans-62.5-21.5179.2-65.6-179177.200114.2R48 T155R48-E50 PolarHBondContact O-N 3.35Å; E50-T155 HydrophobicContact CB-CG2 4.29Å; E50-T155 WeakPolarHBondContact OE2-CB 3.39Å; E50-T155 WeakPolarHBondContact OE2-CG2 2.91Å; E50-T155 PolarHBondContact OE2-OG1 2.95Å
51V85.3Confident88.2Confident1 Ų148.2 Ų48.21%0.00624%0.243CC..G310 helixtrans-106.910.1179.5-62.50000112.8R48 A49 G133 L134 T155 I156 L159R48-V51 HydrophobicContact CB-CG2 3.92Å; R48-V51 WeakPolarHBondContact O-CG2 3.34Å; R48-V51 PolarHBondContact O-N 2.73Å; R48-V51 VanDerWaalsContact O-N 3.17Å; A49-V51 PolarHBondContact O-N 3.46Å; A49-V51 VanDerWaalsContact O-N 3.17Å; V51-G133 CarbonylContact O-C 3.33Å; V51-G133 WeakPolarHBondContact O-CA 3.37Å; V51-L134 HydrophobicContact CB-CD2 4.18Å; V51-L134 HydrophobicContact CG1-CD2 4.34Å; V51-T155 HydrophobicContact CG1-CG2 4.1Å; V51-I156 HydrophobicContact CG1-CD1 3.87Å; V51-L159 HydrophobicContact CB-CD1 4.36Å; V51-L159 HydrophobicContact CG1-CD1 4.06Å; V51-L159 HydrophobicContact CG2-CD1 3.84Å
52M87.4Confident88.2Confident27 Ų2751.3 Ų51.313%0.13326%0.26CS..  trans-121.1134.9176.3-73.4-175.3-80.600110L45 R48 A49 I57 L130L45-M52 HydrophobicContact CB-CE 4.27Å; L45-M52 HydrophobicContact CD2-CE 3.97Å; L45-M52 HydrophobicContact CD2-SD 3.86Å; L45-M52 WeakPolarHBondContact O-CE 3.43Å; R48-M52 HydrophobicContact CB-CE 4.23Å; R48-M52 WeakPolarHBondContact O-CE 3.21Å; A49-M52 PolarHBondContact O-N 3.35Å; A49-M52 VanDerWaalsContact O-N 3.13Å; M52-I57 HydrophobicContact SD-CD1 4.2Å; M52-L130 HydrophobicContact CG-CD2 3.84Å
53D85.3Confident88.2Confident85 Ų8552.2 Ų52.246%0.45527%0.267SS..  trans-96.8-36-174.6-167.669.2000112.6S129 I132D53-S129 PolarHBondContact N-OG 3.47Å; D53-I132 HydrophobicContact CB-CB 4.09Å; D53-I132 HydrophobicContact CB-CG2 3.89Å
54N81.8Confident88.2Confident32 Ų3248.3 Ų48.317%0.17124%0.243CC..  trans-97.2134.3-171.2-168-4.6000113.5E56 W128 S129N54-E56 PolarHBondContact ND2-OE2 3.47Å; N54-E56 WeakPolarHBondContact OD1-CB 3.43Å; N54-E56 WeakPolarHBondContact OD1-CG 3.4Å; N54-E56 PolarHBondContact OD1-N 3.36Å; N54-W128 HydrophobicContact CB-CZ3 4.45Å; N54-S129 PolarHBondContact N-OG 2.94Å
55T78.4Confident88.5Confident112 Ų11250.2 Ų50.269%0.68725%0.252SS*.G310 helixtrans-79.7-18.7176.861.30000113.9I57 H58T55-I57 PolarHBondContact O-N 3.4Å; T55-I57 VanDerWaalsContact O-N 3.12Å; T55-H58 WeakPolarHBondContact O-CB 3.47Å; T55-H58 PolarHBondContact O-N 2.99Å
56E81.2Confident88.7Confident101 Ų10154.9 Ų54.947%0.47228%0.277SS..G310 helixtrans-59.7-24.5178-68.9176.5166.200112.9N54 H58 A59 M122 N125N54-E56 PolarHBondContact ND2-OE2 3.47Å; N54-E56 WeakPolarHBondContact OD1-CB 3.43Å; N54-E56 WeakPolarHBondContact OD1-CG 3.4Å; N54-E56 PolarHBondContact OD1-N 3.36Å; E56-H58 PolarHBondContact O-N 3.27Å; E56-H58 VanDerWaalsContact O-N 3.1Å; E56-A59 VanDerWaalsContact O-CB 3.22Å; E56-A59 WeakPolarHBondContact O-CB 3.46Å; E56-A59 PolarHBondContact O-N 3.13Å; E56-M122 VanDerWaalsContact O-CE 3.27Å; E56-M122 WeakPolarHBondContact O-CE 3.31Å; E56-N125 PolarHBondContact OE2-ND2 3.01Å
57I83.9Confident89Confident1 Ų147.3 Ų47.31%0.00525%0.248CC..G310 helixtrans-60.3-24176.9-58.4174.3000111.3L45 M52 T55 A59 P61 M122 L126 S129 M262L45-I57 HydrophobicContact CD1-CG2 3.92Å; L45-I57 HydrophobicContact CD2-CG2 3.71Å; L45-I57 HydrophobicContact CG-CG2 4.45Å; M52-I57 HydrophobicContact SD-CD1 4.2Å; T55-I57 PolarHBondContact O-N 3.4Å; T55-I57 VanDerWaalsContact O-N 3.12Å; I57-A59 VanDerWaalsContact C-N 3.3Å; I57-A59 PolarHBondContact O-N 3.42Å; I57-P61 WeakPolarHBondContact O-CD 3.43Å; I57-M122 VanDerWaalsContact CA-CE 3.48Å; I57-L126 HydrophobicContact CD1-CD1 4.05Å; I57-L126 HydrophobicContact CG2-CD1 4.31Å; I57-S129 WeakPolarHBondContact CD1-OG 3.27Å; I57-M262 HydrophobicContact CG2-CE 4.45Å
58H88.8Confident89.4Confident39 Ų3941.1 Ų41.118%0.18123%0.225CC..G310 helixtrans-80.8-4.2176.9-66.6-48.7000114.8T55 E56 P61 N62T55-H58 WeakPolarHBondContact O-CB 3.47Å; T55-H58 PolarHBondContact O-N 2.99Å; E56-H58 PolarHBondContact O-N 3.27Å; E56-H58 VanDerWaalsContact O-N 3.1Å; H58-P61 WeakPolarHBondContact O-CD 3.31Å; H58-P61 WeakPolarHBondContact O-CG 2.95Å; H58-N62 VanDerWaalsContact O-CB 3.25Å; H58-N62 WeakPolarHBondContact O-CB 3.47Å; H58-N62 PolarHBondContact O-N 2.82Å; H58-N62 PolarHBondContact O-ND2 3.09Å; H58-N62 PolarHBondContact O-OD1 3.48Å
59A90.3Very high89.9Confident32 Ų3244.9 Ų44.926%0.26425%0.246SC..Hα-helixtrans-60.9-54.617900000111.6E56 I57 N62 T63 M118E56-A59 VanDerWaalsContact O-CB 3.22Å; E56-A59 WeakPolarHBondContact O-CB 3.46Å; E56-A59 PolarHBondContact O-N 3.13Å; I57-A59 VanDerWaalsContact C-N 3.3Å; I57-A59 PolarHBondContact O-N 3.42Å; A59-N62 PolarHBondContact O-N 3.48Å; A59-T63 WeakPolarHBondContact O-CG2 3.44Å; A59-T63 PolarHBondContact O-N 2.83Å; A59-T63 PolarHBondContact O-OG1 3.44Å; A59-M118 HydrophobicContact CB-CE 3.74Å
60V91.5Very high90.3Very high3 Ų343.5 Ų43.52%0.01823%0.234CC..Hα-helixtrans-55.9-53.4-179.4166.10000113.9L41 N62 T63 L64 T115 M118 M122L41-V60 HydrophobicContact CD2-CG1 3.92Å; V60-N62 VanDerWaalsContact C-N 3.31Å; V60-N62 PolarHBondContact O-N 3.3Å; V60-T63 PolarHBondContact O-N 2.87Å; V60-T63 PolarHBondContact O-OG1 3.36Å; V60-L64 VanDerWaalsContact O-CB 3.24Å; V60-L64 WeakPolarHBondContact O-CB 3.42Å; V60-L64 PolarHBondContact O-N 3.33Å; V60-T115 HydrophobicContact CG1-CG2 4.32Å; V60-M118 HydrophobicContact CG2-CB 3.59Å; V60-M122 HydrophobicContact CB-SD 4.13Å; V60-M122 HydrophobicContact CG2-CE 4.49Å; V60-M122 HydrophobicContact CG2-SD 3.2Å; V60-M122 WeakPolarHBondContact CG2-SD 2.86Å
61P94.6Very high90.8Very high0 Ų038.7 Ų38.70%021%0.212CC..Hα-helixtrans-65.1-34.7179.624.4-35000112.6L41 K42 L45 I57 H58 L64 M65L41-P61 HydrophobicContact CB-CB 4.21Å; L41-P61 HydrophobicContact CD2-CB 4.14Å; L41-P61 HydrophobicContact CG-CB 4.08Å; K42-P61 HydrophobicContact CB-CB 3.95Å; K42-P61 HydrophobicContact CD-CB 4.13Å; K42-P61 HydrophobicContact CD-CG 4.07Å; L45-P61 HydrophobicContact CD1-CG 3.95Å; I57-P61 WeakPolarHBondContact O-CD 3.43Å; H58-P61 WeakPolarHBondContact O-CD 3.31Å; H58-P61 WeakPolarHBondContact O-CG 2.95Å; P61-L64 PolarHBondContact O-N 2.85Å; P61-M65 VanDerWaalsContact O-CG 3.28Å; P61-M65 WeakPolarHBondContact O-CG 3.15Å; P61-M65 PolarHBondContact O-N 2.68Å
62N95.2Very high91.3Very high65 Ų6540.9 Ų40.935%0.34822%0.224SC..Hα-helixtrans-65.8-47.3176.8-74.2-5.6000111.4K42 H58 A59 V60 L64 M65 I66K42-N62 VanDerWaalsContact CE-OD1 3.3Å; K42-N62 WeakPolarHBondContact CE-OD1 3.48Å; K42-N62 PolarHBondContact NZ-OD1 3.43Å; H58-N62 VanDerWaalsContact O-CB 3.25Å; H58-N62 WeakPolarHBondContact O-CB 3.47Å; H58-N62 PolarHBondContact O-N 2.82Å; H58-N62 PolarHBondContact O-ND2 3.09Å; H58-N62 PolarHBondContact O-OD1 3.48Å; A59-N62 PolarHBondContact O-N 3.48Å; V60-N62 VanDerWaalsContact C-N 3.31Å; V60-N62 PolarHBondContact O-N 3.3Å; N62-L64 VanDerWaalsContact C-N 3.29Å; N62-L64 PolarHBondContact O-N 2.86Å; N62-M65 PolarHBondContact O-N 2.93Å; N62-I66 WeakPolarHBondContact O-CG1 3.41Å; N62-I66 PolarHBondContact O-N 2.87Å; N62-I66 VanDerWaalsContact O-N 3.12Å
63T94.3Very high91.6Very high40 Ų4041 Ų4125%0.24523%0.232CC..Hα-helixtrans-63.9-39.1177.4610000110.6A59 V60 M65 I66 V67 T115A59-T63 WeakPolarHBondContact O-CG2 3.44Å; A59-T63 PolarHBondContact O-N 2.83Å; A59-T63 PolarHBondContact O-OG1 3.44Å; V60-T63 PolarHBondContact O-N 2.87Å; V60-T63 PolarHBondContact O-OG1 3.36Å; T63-M65 VanDerWaalsContact C-N 3.35Å; T63-M65 PolarHBondContact O-N 3.5Å; T63-I66 PolarHBondContact O-N 2.66Å; T63-V67 WeakPolarHBondContact O-CG1 3.06Å; T63-V67 VanDerWaalsContact O-CG2 3.31Å; T63-V67 WeakPolarHBondContact O-CG2 3.22Å; T63-V67 PolarHBondContact O-N 2.81Å; T63-T115 WeakPolarHBondContact CB-OG1 3.33Å; T63-T115 WeakPolarHBondContact OG1-CG2 3.39Å; T63-T115 PolarHBondContact OG1-OG1 2.95Å
64L95.6Very high92Very high1 Ų137.6 Ų37.61%0.00521%0.214CC..Hα-helixtrans-60.3-41.5177.4-164.362.8000112.8T34 L37 V60 P61 N62 V67 G68 T115 I265 V269T34-L64 HydrophobicContact CG2-CD1 3.44Å; T34-L64 VanDerWaalsContact CG2-CD1 3.44Å; T34-L64 HydrophobicContact CG2-CG 4Å; L37-L64 HydrophobicContact CB-CD2 4.23Å; V60-L64 VanDerWaalsContact O-CB 3.24Å; V60-L64 WeakPolarHBondContact O-CB 3.42Å; V60-L64 PolarHBondContact O-N 3.33Å; P61-L64 PolarHBondContact O-N 2.85Å; N62-L64 VanDerWaalsContact C-N 3.29Å; N62-L64 PolarHBondContact O-N 2.86Å; L64-V67 HydrophobicContact CD1-CG2 4.38Å; L64-V67 WeakPolarHBondContact O-CG2 3.34Å; L64-G68 PolarHBondContact O-N 3.23Å; L64-T115 HydrophobicContact CB-CG2 4.24Å; L64-T115 HydrophobicContact CD1-CG2 4.07Å; L64-I265 HydrophobicContact CD2-CG2 3.57Å; L64-V269 HydrophobicContact CD1-CG1 4.14Å; L64-V269 HydrophobicContact CD1-CG2 3.61Å
65M97.3Very high92.7Very high54 Ų5436 Ų3627%0.26621%0.205SC..Hα-helixtrans-63.5-45.6174-70.7171.864.700111.8F35 K42 P61 N62 T63 G68 L69F35-M65 HydrophobicContact CD2-CB 4.16Å; F35-M65 HydrophobicContact CD2-CG 4.42Å; F35-M65 WeakPolarHBondContact CD2-O 3.18Å; F35-M65 HydrophobicContact CE2-CB 4.14Å; F35-M65 HydrophobicContact CE2-CE 4.17Å; F35-M65 HydrophobicContact CE2-CG 4.34Å; K42-M65 HydrophobicContact CB-SD 4.34Å; K42-M65 HydrophobicContact CG-SD 4.45Å; P61-M65 VanDerWaalsContact O-CG 3.28Å; P61-M65 WeakPolarHBondContact O-CG 3.15Å; P61-M65 PolarHBondContact O-N 2.68Å; N62-M65 PolarHBondContact O-N 2.93Å; T63-M65 VanDerWaalsContact C-N 3.35Å; T63-M65 PolarHBondContact O-N 3.5Å; M65-G68 PolarHBondContact O-N 3.08Å; M65-L69 PolarHBondContact O-N 3.21Å; M65-L69 VanDerWaalsContact O-N 3.1Å
66I96.7Very high93.4Very high99 Ų9934.6 Ų34.651%0.50819%0.188SC..Hα-helixtrans-63-51.2-179.7-67.3166000110.6N62 T63 G68 L69 A70 F108N62-I66 WeakPolarHBondContact O-CG1 3.41Å; N62-I66 PolarHBondContact O-N 2.87Å; N62-I66 VanDerWaalsContact O-N 3.12Å; T63-I66 PolarHBondContact O-N 2.66Å; I66-G68 VanDerWaalsContact C-N 3.32Å; I66-G68 PolarHBondContact O-N 3.4Å; I66-L69 PolarHBondContact O-N 3.42Å; I66-A70 WeakPolarHBondContact O-CB 3.38Å; I66-A70 PolarHBondContact O-N 3.49Å; I66-F108 HydrophobicContact CG2-CE1 4.01Å
67V96.1Very high94Very high3 Ų334.5 Ų34.52%0.01819%0.186CC..Hα-helixtrans-68.9-30.8-178.8-58.10000112.1T34 T63 L64 S71 L111 M112T34-V67 HydrophobicContact CG2-CG2 4.44Å; T63-V67 WeakPolarHBondContact O-CG1 3.06Å; T63-V67 VanDerWaalsContact O-CG2 3.31Å; T63-V67 WeakPolarHBondContact O-CG2 3.22Å; T63-V67 PolarHBondContact O-N 2.81Å; L64-V67 HydrophobicContact CD1-CG2 4.38Å; L64-V67 WeakPolarHBondContact O-CG2 3.34Å; V67-S71 WeakPolarHBondContact O-CB 3.37Å; V67-S71 PolarHBondContact O-N 3.23Å; V67-L111 HydrophobicContact CG1-CB 3.73Å; V67-M112 HydrophobicContact CB-CB 4.48Å; V67-M112 HydrophobicContact CG2-CB 4.47Å; V67-M112 HydrophobicContact CG2-CE 4.46Å
68G96.5Very high94.3Very high0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-63.8-46.9173.600000112.6L64 M65 I66 S71 L72L64-G68 PolarHBondContact O-N 3.23Å; M65-G68 PolarHBondContact O-N 3.08Å; I66-G68 VanDerWaalsContact C-N 3.32Å; I66-G68 PolarHBondContact O-N 3.4Å; G68-S71 PolarHBondContact O-N 3.01Å; G68-L72 PolarHBondContact O-N 3.4Å
69L96.8Very high94.4Very high96 Ų9632.8 Ų32.850%0.50318%0.179SC..Hα-helixtrans-64.6-42.2174.9-73.1172.7000112.2F35 M65 I66 L72 G73F35-L69 HydrophobicContact CD2-CD1 4.09Å; F35-L69 HydrophobicContact CD2-CD2 3.87Å; F35-L69 HydrophobicContact CD2-CG 3.53Å; F35-L69 HydrophobicContact CE2-CD1 3.67Å; F35-L69 HydrophobicContact CE2-CD2 3.88Å; F35-L69 HydrophobicContact CE2-CG 3.61Å; F35-L69 HydrophobicContact CG-CD2 4.2Å; F35-L69 HydrophobicContact CG-CG 4.27Å; F35-L69 HydrophobicContact CZ-CD1 4.42Å; F35-L69 HydrophobicContact CZ-CD2 4.22Å; F35-L69 HydrophobicContact CZ-CG 4.41Å; M65-L69 PolarHBondContact O-N 3.21Å; M65-L69 VanDerWaalsContact O-N 3.1Å; I66-L69 PolarHBondContact O-N 3.42Å; L69-L72 HydrophobicContact CD2-CD1 4.46Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 2.7Å; L69-G73 PolarHBondContact O-N 2.95Å
70A95.6Very high94.3Very high18 Ų1836.8 Ų36.815%0.14919%0.187CC..Hα-helixtrans-63.1-44.6176.300000111.4I66 L72 G73 I74 F108I66-A70 WeakPolarHBondContact O-CB 3.38Å; I66-A70 PolarHBondContact O-N 3.49Å; A70-L72 VanDerWaalsContact C-N 3.31Å; A70-L72 PolarHBondContact O-N 3.41Å; A70-G73 PolarHBondContact O-N 3.11Å; A70-I74 HydrophobicContact CB-CD1 4.33Å; A70-I74 WeakPolarHBondContact O-CB 3.32Å; A70-I74 WeakPolarHBondContact O-CD1 3.46Å; A70-I74 WeakPolarHBondContact O-CG1 3.37Å; A70-I74 PolarHBondContact O-N 3.17Å; A70-F108 HydrophobicContact CB-CB 4.18Å; A70-F108 HydrophobicContact CB-CD1 3.38Å; A70-F108 HydrophobicContact CB-CD2 3.88Å; A70-F108 HydrophobicContact CB-CE1 3.6Å; A70-F108 HydrophobicContact CB-CE2 4.06Å; A70-F108 HydrophobicContact CB-CG 3.54Å; A70-F108 HydrophobicContact CB-CZ 3.93Å
71S95.1Very high94.1Very high4 Ų437 Ų373%0.02819%0.188CC..Hα-helixtrans-59.7-39.8177.6178.50000112V67 G68 N75 Q276V67-S71 WeakPolarHBondContact O-CB 3.37Å; V67-S71 PolarHBondContact O-N 3.23Å; G68-S71 PolarHBondContact O-N 3.01Å; S71-N75 WeakPolarHBondContact O-CB 3.5Å; S71-N75 PolarHBondContact O-N 3.39Å; S71-N75 PolarHBondContact O-ND2 3.05Å; S71-N75 PolarHBondContact OG-ND2 3.39Å; S71-N75 VanDerWaalsContact OG-ND2 3.07Å; S71-Q276 PolarHBondContact OG-OE1 2.9Å; S71-Q276 VanDerWaalsContact OG-OE1 3.14Å
72L95.1Very high93.7Very high46 Ų4637 Ų3724%0.24119%0.188CC..Hα-helixtrans-56.6-53172.4-84.2166.5000112.3T28 A32 G68 L69 A70 Y76T28-L72 HydrophobicContact CG2-CD2 3.75Å; T28-L72 WeakPolarHBondContact O-CD2 3.45Å; A32-L72 HydrophobicContact CB-CD1 4.29Å; A32-L72 HydrophobicContact CB-CD2 3.9Å; A32-L72 HydrophobicContact CB-CG 4.46Å; G68-L72 PolarHBondContact O-N 3.4Å; L69-L72 HydrophobicContact CD2-CD1 4.46Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 2.7Å; A70-L72 VanDerWaalsContact C-N 3.31Å; A70-L72 PolarHBondContact O-N 3.41Å; L72-Y76 VanDerWaalsContact O-CB 3.27Å; L72-Y76 WeakPolarHBondContact O-CB 3.42Å; L72-Y76 PolarHBondContact O-N 3.26Å
73G94.4Very high93.3Very high30 Ų3038.2 Ų38.231%0.30919%0.192SC..Hα-helixtrans-62.4-50.7-179.500000111.9L69 A70 N75 Y76 F77L69-G73 PolarHBondContact O-N 2.95Å; A70-G73 PolarHBondContact O-N 3.11Å; G73-N75 PolarHBondContact O-N 2.99Å; G73-Y76 PolarHBondContact O-N 2.87Å; G73-F77 WeakPolarHBondContact O-CD2 3.29Å; G73-F77 PolarHBondContact O-N 2.83Å
74I94.2Very high92.8Very high13 Ų1338 Ų387%0.06719%0.189CC..Hα-helixtrans-54-56.5179-70.8162.5000109.6A70 Y76 F77 A78 Y101 S105 F108A70-I74 HydrophobicContact CB-CD1 4.33Å; A70-I74 WeakPolarHBondContact O-CB 3.32Å; A70-I74 WeakPolarHBondContact O-CD1 3.46Å; A70-I74 WeakPolarHBondContact O-CG1 3.37Å; A70-I74 PolarHBondContact O-N 3.17Å; I74-Y76 VanDerWaalsContact C-N 3.34Å; I74-Y76 PolarHBondContact O-N 2.94Å; I74-F77 PolarHBondContact O-N 2.86Å; I74-A78 PolarHBondContact O-N 2.7Å; I74-Y101 VanDerWaalsContact CG2-OH 3.32Å; I74-Y101 WeakPolarHBondContact CG2-OH 3.36Å; I74-Y101 PolarHBondContact O-OH 3.26Å; I74-S105 WeakPolarHBondContact CG2-OG 3.44Å; I74-F108 HydrophobicContact CD1-CB 3.87Å; I74-F108 HydrophobicContact CD1-CD2 4.05Å; I74-F108 HydrophobicContact CD1-CG 4.26Å
75N94.9Very high92Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-68.7-32-174.7-68.4-49.8000113.7S24 A27 T28 S71 G73 A78 G79 Q276S24-N75 WeakPolarHBondContact O-CB 3.49Å; A27-N75 HydrophobicContact CB-CB 4.04Å; A27-N75 WeakPolarHBondContact CB-ND2 3.33Å; A27-N75 WeakPolarHBondContact CB-OD1 3.3Å; A27-N75 PolarHBondContact O-ND2 3.19Å; T28-N75 VanDerWaalsContact OG1-CB 3.3Å; T28-N75 WeakPolarHBondContact OG1-CB 3.17Å; S71-N75 WeakPolarHBondContact O-CB 3.5Å; S71-N75 PolarHBondContact O-N 3.39Å; S71-N75 PolarHBondContact O-ND2 3.05Å; S71-N75 PolarHBondContact OG-ND2 3.39Å; S71-N75 VanDerWaalsContact OG-ND2 3.07Å; G73-N75 PolarHBondContact O-N 2.99Å; N75-A78 PolarHBondContact O-N 2.97Å; N75-G79 PolarHBondContact O-N 3.23Å; N75-Q276 PolarHBondContact ND2-OE1 3.44Å; N75-Q276 PolarHBondContact OD1-NE2 3Å; N75-Q276 VanDerWaalsContact OD1-NE2 3.11Å; N75-Q276 PolarHBondContact OD1-OE1 3.33Å
76Y94.4Very high90.9Very high82 Ų8238.7 Ų38.732%0.32220%0.195SC..Hα-helixtrans-61.5-47.2172.2173.9-99.3000111.5W25 T28 L72 G73 I74 G79 R80W25-Y76 HydrophobicContact CH2-CD2 4.19Å; W25-Y76 HydrophobicContact CH2-CE2 4.19Å; T28-Y76 PolarHBondContact OG1-N 3.06Å; L72-Y76 VanDerWaalsContact O-CB 3.27Å; L72-Y76 WeakPolarHBondContact O-CB 3.42Å; L72-Y76 PolarHBondContact O-N 3.26Å; G73-Y76 PolarHBondContact O-N 2.87Å; I74-Y76 VanDerWaalsContact C-N 3.34Å; I74-Y76 PolarHBondContact O-N 2.94Å; Y76-G79 PolarHBondContact O-N 3.39Å; Y76-R80 HydrophobicContact CE1-CG 4.27Å; Y76-R80 PolarHBondContact O-N 2.71Å; Y76-R80 VanDerWaalsContact O-N 3.14Å; Y76-R80 PolarHBondContact OH-NE 3.11Å; Y76-R80 PolarHBondContact OH-NH2 3.22Å
77F92.2Very high90Very high99 Ų9937.3 Ų37.343%0.43419%0.188SC..Hα-helixtrans-67.1-40176.2-76.8-67000112G73 I74 G79 R80 M81 W94 Y101G73-F77 WeakPolarHBondContact O-CD2 3.29Å; G73-F77 PolarHBondContact O-N 2.83Å; I74-F77 PolarHBondContact O-N 2.86Å; F77-G79 VanDerWaalsContact C-N 3.29Å; F77-G79 PolarHBondContact O-N 2.9Å; F77-R80 PolarHBondContact O-N 3.14Å; F77-R80 VanDerWaalsContact O-N 3.14Å; F77-M81 WeakPolarHBondContact O-CB 3.48Å; F77-M81 WeakPolarHBondContact O-CG 3.41Å; F77-M81 PolarHBondContact O-N 2.82Å; F77-W94 HydrophobicContact CD1-CH2 4.23Å; F77-Y101 HydrophobicContact CB-CE2 3.88Å
78A91.2Very high88.7Confident0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-53.5-47.3173.100000111.4I74 N75 R80 M81 C82 Y101 V279 L283I74-A78 PolarHBondContact O-N 2.7Å; N75-A78 PolarHBondContact O-N 2.97Å; A78-R80 PolarHBondContact O-N 3.3Å; A78-M81 PolarHBondContact O-N 3.39Å; A78-C82 PolarHBondContact O-N 3.22Å; A78-C82 PolarHBondContact O-SG 3.41Å; A78-Y101 WeakPolarHBondContact CB-OH 3.12Å; A78-Y101 PolarHBondContact N-OH 3.48Å; A78-V279 HydrophobicContact CB-CG1 4.23Å; A78-L283 HydrophobicContact CB-CD2 4.4Å
79G90.1Very high87.5Confident3 Ų342.9 Ų42.93%0.03124%0.241CC..Hα-helixtrans-59.7-46.2177.200000112.3N75 Y76 F77 M81 C82 Q83N75-G79 PolarHBondContact O-N 3.23Å; Y76-G79 PolarHBondContact O-N 3.39Å; F77-G79 VanDerWaalsContact C-N 3.29Å; F77-G79 PolarHBondContact O-N 2.9Å; G79-M81 PolarHBondContact O-N 3.32Å; G79-C82 PolarHBondContact O-N 2.85Å; G79-Q83 PolarHBondContact O-N 2.82Å
80R89Confident86.6Confident117 Ų11744.1 Ų44.144%0.44224%0.239SC..Hα-helixtrans-60.5-44.7175.9-71.3-65.7-167.6137.60.4112.4Y76 F77 A78 C82 Q83 D84Y76-R80 HydrophobicContact CE1-CG 4.27Å; Y76-R80 PolarHBondContact O-N 2.71Å; Y76-R80 VanDerWaalsContact O-N 3.14Å; Y76-R80 PolarHBondContact OH-NE 3.11Å; Y76-R80 PolarHBondContact OH-NH2 3.22Å; F77-R80 PolarHBondContact O-N 3.14Å; F77-R80 VanDerWaalsContact O-N 3.14Å; A78-R80 PolarHBondContact O-N 3.3Å; R80-C82 VanDerWaalsContact C-N 3.32Å; R80-C82 PolarHBondContact O-N 3.07Å; R80-Q83 PolarHBondContact O-N 3.33Å; R80-D84 PolarHBondContact O-N 3.45Å
81M86.7Confident85.7Confident6 Ų643.8 Ų43.83%0.0323%0.234CC..Hα-helixtrans-64.3-37.8178.8-66.4170.387.500111.8F77 A78 G79 D84 A85 W94 L98 Y101F77-M81 WeakPolarHBondContact O-CB 3.48Å; F77-M81 WeakPolarHBondContact O-CG 3.41Å; F77-M81 PolarHBondContact O-N 2.82Å; A78-M81 PolarHBondContact O-N 3.39Å; G79-M81 PolarHBondContact O-N 3.32Å; M81-D84 PolarHBondContact O-N 3.14Å; M81-A85 VanDerWaalsContact O-CB 3.29Å; M81-A85 WeakPolarHBondContact O-CB 3.21Å; M81-A85 PolarHBondContact O-N 2.64Å; M81-W94 HydrophobicContact CE-CB 4.3Å; M81-W94 HydrophobicContact CE-CD2 4.41Å; M81-W94 HydrophobicContact CE-CE3 3.88Å; M81-W94 HydrophobicContact CG-CD2 3.83Å; M81-W94 HydrophobicContact CG-CE3 3.66Å; M81-W94 HydrophobicContact CG-CG 4.41Å; M81-W94 HydrophobicContact CG-CH2 4.27Å; M81-W94 HydrophobicContact CG-CZ2 4.43Å; M81-W94 HydrophobicContact CG-CZ3 3.88Å; M81-W94 HydrophobicContact SD-CE3 4.13Å; M81-W94 HydrophobicContact SD-CZ3 4.32Å; M81-L98 HydrophobicContact CE-CB 4.4Å; M81-L98 HydrophobicContact CE-CD1 4.4Å; M81-L98 HydrophobicContact CE-CD2 3.19Å; M81-L98 HydrophobicContact CE-CG 3.38Å; M81-Y101 HydrophobicContact SD-CD1 4.27Å; M81-Y101 HydrophobicContact SD-CD2 4.34Å; M81-Y101 HydrophobicContact SD-CE1 4.31Å; M81-Y101 HydrophobicContact SD-CE2 4.33Å; M81-Y101 HydrophobicContact SD-CG 4.3Å
82C86.4Confident84.9Confident0 Ų046.8 Ų46.80%025%0.254CS..Hα-helixtrans-65.9-39.1175.5-65.90000112.1L20 W21 A78 G79 R80 A85 L86L20-C82 WeakPolarHBondContact CD2-SG 3.3Å; L20-C82 WeakPolarHBondContact CG-SG 3.15Å; W21-C82 HydrophobicContact CB-CB 4.16Å; A78-C82 PolarHBondContact O-N 3.22Å; A78-C82 PolarHBondContact O-SG 3.41Å; G79-C82 PolarHBondContact O-N 2.85Å; R80-C82 VanDerWaalsContact C-N 3.32Å; R80-C82 PolarHBondContact O-N 3.07Å; C82-A85 PolarHBondContact O-N 3.45Å; C82-L86 PolarHBondContact O-N 3.23Å
83Q86.1Confident84.2Confident92 Ų9253.7 Ų53.743%0.4328%0.277SS..Hα-helixtrans-65.3-45.9176.3-173.7175.61.700111.3G79 R80 A85 L86G79-Q83 PolarHBondContact O-N 2.82Å; R80-Q83 PolarHBondContact O-N 3.33Å; Q83-A85 VanDerWaalsContact C-N 3.26Å; Q83-A85 PolarHBondContact O-N 3.26Å; Q83-L86 WeakPolarHBondContact O-CB 3.47Å; Q83-L86 PolarHBondContact O-N 2.96Å
84D84.6Confident83.5Confident36 Ų3655 Ų5519%0.19327%0.272CS..Hα-helixtrans-71-21.3177.6-75.2-19000112.9R80 M81 L86 D87 R90 W94R80-D84 PolarHBondContact O-N 3.45Å; M81-D84 PolarHBondContact O-N 3.14Å; D84-L86 VanDerWaalsContact C-N 3.27Å; D84-L86 PolarHBondContact O-N 2.97Å; D84-D87 CarbonylContact O-C 3.6Å; D84-D87 PolarHBondContact O-N 2.99Å; D84-R90 HydrophobicContact CB-CB 4.28Å; D84-W94 PolarHBondContact OD2-NE1 3.37Å
85A79.1Confident82.7Confident8 Ų858.9 Ų58.97%0.06629%0.289CS..Hα-helixtrans-71-20.7172.200000113.3M81 C82 Q83 D87 F91 L286 M290M81-A85 VanDerWaalsContact O-CB 3.29Å; M81-A85 WeakPolarHBondContact O-CB 3.21Å; M81-A85 PolarHBondContact O-N 2.64Å; C82-A85 PolarHBondContact O-N 3.45Å; Q83-A85 VanDerWaalsContact C-N 3.26Å; Q83-A85 PolarHBondContact O-N 3.26Å; A85-D87 PolarHBondContact O-N 2.91Å; A85-F91 HydrophobicContact CB-CD2 3.66Å; A85-F91 HydrophobicContact CB-CE2 3.98Å; A85-L286 HydrophobicContact CB-CD2 4.1Å; A85-M290 WeakPolarHBondContact O-CE 3.34Å
86L73.6Confident81.9Confident61 Ų6164.4 Ų64.432%0.31932%0.323SS..THydrogen-bonded Turntrans-68.9-24170.9-56.8170.8000111.3M14 A17 C82 Q83 D84M14-L86 HydrophobicContact CE-CD2 3.89Å; M14-L86 HydrophobicContact CG-CD2 4.48Å; M14-L86 HydrophobicContact SD-CD2 3.41Å; M14-L86 WeakPolarHBondContact SD-CD2 3.38Å; A17-L86 HydrophobicContact CB-CD2 3.51Å; A17-L86 HydrophobicContact CB-CG 4.34Å; C82-L86 PolarHBondContact O-N 3.23Å; Q83-L86 WeakPolarHBondContact O-CB 3.47Å; Q83-L86 PolarHBondContact O-N 2.96Å; D84-L86 VanDerWaalsContact C-N 3.27Å; D84-L86 PolarHBondContact O-N 2.97Å
87D77.4Confident81.4Confident70 Ų7067 Ų6737%0.37434%0.336SS..SBendtrans-103101.9179.2-74.7-27.9000110.8D84 A85 G89 R90 F91D84-D87 CarbonylContact O-C 3.6Å; D84-D87 PolarHBondContact O-N 2.99Å; A85-D87 PolarHBondContact O-N 2.91Å; D87-G89 PolarHBondContact O-N 3.42Å; D87-R90 HydrophobicContact CB-CB 4.07Å; D87-R90 HydrophobicContact CB-CG 4.08Å; D87-R90 PolarHBondContact O-N 2.97Å; D87-R90 IonicContact OD2-CZ 3.26Å; D87-R90 VanDerWaalsContact OD2-CZ 3.26Å; D87-R90 IonicContact OD2-NE 3.67Å; D87-R90 IonicContact OD2-NH1 2.74Å; D87-R90 PolarHBondContact OD2-NH1 3.45Å; D87-R90 IonicContact OD2-NH2 3.98Å; D87-F91 PolarHBondContact O-N 3.34Å
88A69.3Low80.8Confident51 Ų5162.5 Ų62.542%0.42132%0.316SS..THydrogen-bonded Turntrans-55-28.4-178.100000114.2P92 T299A88-P92 WeakPolarHBondContact O-CD 3.41Å; A88-T299 HydrophobicContact CB-CG2 3.67Å
89G71.1Confident80.3Confident69 Ų6967.6 Ų67.671%0.71134%0.34SS*.THydrogen-bonded Turntrans-78.1-17.8176.500000115.3D87D87-G89 PolarHBondContact O-N 3.42Å
90R78.5Confident80.1Confident121 Ų12171.1 Ų71.146%0.45736%0.362SS..THydrogen-bonded Turntrans-100.4-31.5-177.8-67.6-176.7-177.7152.87.7112.9D84 D87 R93D84-R90 HydrophobicContact CB-CB 4.28Å; D87-R90 HydrophobicContact CB-CB 4.07Å; D87-R90 HydrophobicContact CB-CG 4.08Å; D87-R90 PolarHBondContact O-N 2.97Å; D87-R90 IonicContact OD2-CZ 3.26Å; D87-R90 VanDerWaalsContact OD2-CZ 3.26Å; D87-R90 IonicContact OD2-NE 3.67Å; D87-R90 IonicContact OD2-NH1 2.74Å; D87-R90 PolarHBondContact OD2-NH1 3.45Å; D87-R90 IonicContact OD2-NH2 3.98Å; R90-R93 WeakPolarHBondContact O-CB 3.46Å; R90-R93 PolarHBondContact O-N 3.01Å
91F75.7Confident80.1Confident11 Ų1167.2 Ų67.25%0.04835%0.348CS..G310 helixtrans-52.2-39.1-179.9-171.8-100.8000115.5A85 D87 R93 W94 L98 M290A85-F91 HydrophobicContact CB-CD2 3.66Å; A85-F91 HydrophobicContact CB-CE2 3.98Å; D87-F91 PolarHBondContact O-N 3.34Å; F91-R93 PolarHBondContact O-N 3.08Å; F91-W94 PolarHBondContact O-N 2.91Å; F91-L98 HydrophobicContact CE1-CD1 4.39Å; F91-L98 HydrophobicContact CE2-CD1 3.98Å; F91-L98 HydrophobicContact CZ-CD1 3.62Å; F91-M290 HydrophobicContact CB-CE 4.23Å; F91-M290 HydrophobicContact CD1-CB 3.84Å; F91-M290 HydrophobicContact CD1-CE 4.22Å; F91-M290 HydrophobicContact CD2-CB 4.41Å; F91-M290 HydrophobicContact CD2-CE 4.32Å; F91-M290 HydrophobicContact CE1-CB 3.28Å; F91-M290 HydrophobicContact CE1-CG 4.37Å; F91-M290 HydrophobicContact CE2-CB 3.91Å; F91-M290 HydrophobicContact CE2-CG 4.21Å; F91-M290 HydrophobicContact CG-CB 4.37Å; F91-M290 HydrophobicContact CG-CE 3.99Å; F91-M290 HydrophobicContact CZ-CB 3.32Å; F91-M290 HydrophobicContact CZ-CG 4.11Å
92P78.8Confident80.2Confident67 Ų6768.4 Ų68.444%0.43535%0.352SS..G310 helixtrans-57.2-26.1-179.4-27.335.9000114.5A88 W94 K95A88-P92 WeakPolarHBondContact O-CD 3.41Å; P92-W94 VanDerWaalsContact C-N 3.26Å; P92-W94 PolarHBondContact O-N 3.21Å; P92-K95 WeakPolarHBondContact O-CB 3.49Å; P92-K95 PolarHBondContact O-N 3.12Å
93R80.6Confident80.2Confident191 Ų19169.4 Ų69.472%0.72136%0.362SS*.G310 helixtrans-65.3-30.1177.8-61.7179-179.4176.3-0.9112.8R90 F91R90-R93 WeakPolarHBondContact O-CB 3.46Å; R90-R93 PolarHBondContact O-N 3.01Å; F91-R93 PolarHBondContact O-N 3.08Å
94W79.4Confident80.4Confident57 Ų5768.8 Ų68.822%0.21637%0.365CS..G310 helixtrans-88.3-14.7-178-69.6101.9000113.2F77 M81 D84 F91 P92 T96 F97 L98F77-W94 HydrophobicContact CD1-CH2 4.23Å; M81-W94 HydrophobicContact CE-CB 4.3Å; M81-W94 HydrophobicContact CE-CD2 4.41Å; M81-W94 HydrophobicContact CE-CE3 3.88Å; M81-W94 HydrophobicContact CG-CD2 3.83Å; M81-W94 HydrophobicContact CG-CE3 3.66Å; M81-W94 HydrophobicContact CG-CG 4.41Å; M81-W94 HydrophobicContact CG-CH2 4.27Å; M81-W94 HydrophobicContact CG-CZ2 4.43Å; M81-W94 HydrophobicContact CG-CZ3 3.88Å; M81-W94 HydrophobicContact SD-CE3 4.13Å; M81-W94 HydrophobicContact SD-CZ3 4.32Å; D84-W94 PolarHBondContact OD2-NE1 3.37Å; F91-W94 PolarHBondContact O-N 2.91Å; P92-W94 VanDerWaalsContact C-N 3.26Å; P92-W94 PolarHBondContact O-N 3.21Å; W94-T96 VanDerWaalsContact C-N 3.34Å; W94-T96 PolarHBondContact O-N 3.42Å; W94-F97 PolarHBondContact O-N 3.11Å; W94-L98 HydrophobicContact CB-CD1 4.28Å; W94-L98 WeakPolarHBondContact O-CG 3.35Å; W94-L98 PolarHBondContact O-N 2.96Å
95K77.4Confident80.8Confident96 Ų9667.1 Ų67.142%0.41736%0.356SS..Hα-helixtrans-53-47.2-174.2-172.6173.7179172.80113P92 F97 L98P92-K95 WeakPolarHBondContact O-CB 3.49Å; P92-K95 PolarHBondContact O-N 3.12Å; K95-F97 VanDerWaalsContact C-N 3.3Å; K95-F97 PolarHBondContact O-N 2.87Å; K95-L98 PolarHBondContact O-N 2.93Å
96T78.9Confident81.4Confident116 Ų11669.9 Ų69.971%0.71237%0.369SS*.Hα-helixtrans-68.4-29.2-179.3-44.70000112.7W94 P100W94-T96 VanDerWaalsContact C-N 3.34Å; W94-T96 PolarHBondContact O-N 3.42Å; T96-P100 WeakPolarHBondContact O-CD 3.23Å
97F82.4Confident82.3Confident137 Ų13772.4 Ų72.460%0.60138%0.378SS*.Hα-helixtrans-88.9-18.6-178.3-70.5-78.5000113.5W94 K95 P100 Y101W94-F97 PolarHBondContact O-N 3.11Å; K95-F97 VanDerWaalsContact C-N 3.3Å; K95-F97 PolarHBondContact O-N 2.87Å; F97-P100 VanDerWaalsContact O-CD 3.31Å; F97-P100 WeakPolarHBondContact O-CD 3.4Å; F97-P100 WeakPolarHBondContact O-CG 3.41Å; F97-Y101 WeakPolarHBondContact O-CB 3.48Å; F97-Y101 PolarHBondContact O-N 3.48Å
98L81.1Confident83.1Confident3 Ų371.4 Ų71.42%0.01637%0.37CS..Hα-helixtrans-63.6-43-174.7-92.8157.4000113.8M81 F91 W94 K95 W102 Q287M81-L98 HydrophobicContact CE-CB 4.4Å; M81-L98 HydrophobicContact CE-CD1 4.4Å; M81-L98 HydrophobicContact CE-CD2 3.19Å; M81-L98 HydrophobicContact CE-CG 3.38Å; F91-L98 HydrophobicContact CE1-CD1 4.39Å; F91-L98 HydrophobicContact CE2-CD1 3.98Å; F91-L98 HydrophobicContact CZ-CD1 3.62Å; W94-L98 HydrophobicContact CB-CD1 4.28Å; W94-L98 WeakPolarHBondContact O-CG 3.35Å; W94-L98 PolarHBondContact O-N 2.96Å; K95-L98 PolarHBondContact O-N 2.93Å; L98-W102 WeakPolarHBondContact O-CB 3.28Å; L98-W102 PolarHBondContact O-N 3.47Å; L98-Q287 HydrophobicContact CB-CG 4.24Å; L98-Q287 HydrophobicContact CD1-CG 4.04Å; L98-Q287 HydrophobicContact CD2-CB 4.09Å; L98-Q287 HydrophobicContact CD2-CG 3.96Å; L98-Q287 HydrophobicContact CG-CG 4.32Å
99Q79.9Confident84.2Confident107 Ų10769.3 Ų69.350%0.535%0.352SS..Hα-helixtrans-63.6-54.5177.2-81.4-171-35.600113.6Y101 W102 G103Q99-Y101 VanDerWaalsContact C-N 3.28Å; Q99-Y101 PolarHBondContact O-N 3.1Å; Q99-W102 PolarHBondContact O-N 2.86Å; Q99-G103 PolarHBondContact O-N 3.34Å; Q99-G103 VanDerWaalsContact O-N 3.16Å
100P86.3Confident85.3Confident77 Ų7770.7 Ų70.750%0.534%0.343SS..Hα-helixtrans-63.7-35.7177.723-32000111.8T96 F97 W102 G103 V104T96-P100 WeakPolarHBondContact O-CD 3.23Å; F97-P100 VanDerWaalsContact O-CD 3.31Å; F97-P100 WeakPolarHBondContact O-CD 3.4Å; F97-P100 WeakPolarHBondContact O-CG 3.41Å; P100-W102 PolarHBondContact O-N 3.39Å; P100-G103 PolarHBondContact O-N 2.96Å; P100-V104 WeakPolarHBondContact O-CG2 3.37Å; P100-V104 PolarHBondContact O-N 3.45Å
101Y89.4Confident86.1Confident36 Ų3667.5 Ų67.514%0.14133%0.334CS..Hα-helixtrans-58.4-46.4173.9172.9-86.8000112.2I74 F77 A78 M81 F97 Q99 V104 S105 L283I74-Y101 VanDerWaalsContact CG2-OH 3.32Å; I74-Y101 WeakPolarHBondContact CG2-OH 3.36Å; I74-Y101 PolarHBondContact O-OH 3.26Å; F77-Y101 HydrophobicContact CB-CE2 3.88Å; A78-Y101 WeakPolarHBondContact CB-OH 3.12Å; A78-Y101 PolarHBondContact N-OH 3.48Å; M81-Y101 HydrophobicContact SD-CD1 4.27Å; M81-Y101 HydrophobicContact SD-CD2 4.34Å; M81-Y101 HydrophobicContact SD-CE1 4.31Å; M81-Y101 HydrophobicContact SD-CE2 4.33Å; M81-Y101 HydrophobicContact SD-CG 4.3Å; F97-Y101 WeakPolarHBondContact O-CB 3.48Å; F97-Y101 PolarHBondContact O-N 3.48Å; Q99-Y101 VanDerWaalsContact C-N 3.28Å; Q99-Y101 PolarHBondContact O-N 3.1Å; Y101-V104 PolarHBondContact O-N 3.36Å; Y101-S105 VanDerWaalsContact O-CB 3.28Å; Y101-S105 WeakPolarHBondContact O-CB 3.18Å; Y101-S105 PolarHBondContact O-N 2.94Å; Y101-S105 PolarHBondContact O-OG 3.11Å; Y101-L283 HydrophobicContact CD1-CD2 4.09Å; Y101-L283 HydrophobicContact CE1-CD2 3.36Å
102W87.4Confident87Confident30 Ų3067.1 Ų67.111%0.11433%0.333CS..Hα-helixtrans-63.6-42.9179.4-17284.1000111.7L98 Q99 P100 S105 L106L98-W102 WeakPolarHBondContact O-CB 3.28Å; L98-W102 PolarHBondContact O-N 3.47Å; Q99-W102 PolarHBondContact O-N 2.86Å; P100-W102 PolarHBondContact O-N 3.39Å; W102-S105 PolarHBondContact O-N 3.44Å; W102-L106 HydrophobicContact CH2-CD2 3.83Å; W102-L106 HydrophobicContact CZ2-CD2 4.48Å; W102-L106 HydrophobicContact CZ3-CD2 3.89Å; W102-L106 WeakPolarHBondContact O-CB 3.43Å; W102-L106 PolarHBondContact O-N 3.3Å
103G87.3Confident87.8Confident21 Ų2166.6 Ų66.622%0.21633%0.326CS..Hα-helixtrans-61.7-48.1176.700000113.1Q99 P100 S105 L106 F107Q99-G103 PolarHBondContact O-N 3.34Å; Q99-G103 VanDerWaalsContact O-N 3.16Å; P100-G103 PolarHBondContact O-N 2.96Å; G103-S105 VanDerWaalsContact C-N 3.33Å; G103-S105 PolarHBondContact O-N 2.98Å; G103-L106 PolarHBondContact O-N 3.18Å; G103-F107 PolarHBondContact O-N 2.97Å
104V90.9Very high88.4Confident79 Ų7959.5 Ų59.548%0.47931%0.306SS..Hα-helixtrans-61.8-42.6176.2171.60000111P100 Y101 L106 F107 F108P100-V104 WeakPolarHBondContact O-CG2 3.37Å; P100-V104 PolarHBondContact O-N 3.45Å; Y101-V104 PolarHBondContact O-N 3.36Å; V104-L106 PolarHBondContact O-N 2.92Å; V104-F107 WeakPolarHBondContact O-CB 3.39Å; V104-F107 PolarHBondContact O-N 3.4Å; V104-F108 HydrophobicContact CG1-CD2 3.83Å; V104-F108 HydrophobicContact CG1-CE2 3.81Å; V104-F108 WeakPolarHBondContact O-CD2 3.48Å; V104-F108 PolarHBondContact O-N 3.38Å; V104-F108 VanDerWaalsContact O-N 3.11Å
105S92.2Very high89Confident1 Ų157 Ų571%0.00730%0.297CS..Hα-helixtrans-67.7-37.9-179-55.40000112.7I74 Y101 W102 G103 T109 L280I74-S105 WeakPolarHBondContact CG2-OG 3.44Å; Y101-S105 VanDerWaalsContact O-CB 3.28Å; Y101-S105 WeakPolarHBondContact O-CB 3.18Å; Y101-S105 PolarHBondContact O-N 2.94Å; Y101-S105 PolarHBondContact O-OG 3.11Å; W102-S105 PolarHBondContact O-N 3.44Å; G103-S105 VanDerWaalsContact C-N 3.33Å; G103-S105 PolarHBondContact O-N 2.98Å; S105-T109 WeakPolarHBondContact O-CB 3.41Å; S105-T109 PolarHBondContact O-N 2.98Å; S105-T109 PolarHBondContact O-OG1 3.39Å; S105-L280 VanDerWaalsContact CB-CD2 3.41Å
106L91.9Very high89.8Confident66 Ų6652.8 Ų52.835%0.34628%0.279SS..Hα-helixtrans-62.6-45.3173.2-179.563.9000111W102 G103 V104 F108 T109 L110W102-L106 HydrophobicContact CH2-CD2 3.83Å; W102-L106 HydrophobicContact CZ2-CD2 4.48Å; W102-L106 HydrophobicContact CZ3-CD2 3.89Å; W102-L106 WeakPolarHBondContact O-CB 3.43Å; W102-L106 PolarHBondContact O-N 3.3Å; G103-L106 PolarHBondContact O-N 3.18Å; V104-L106 PolarHBondContact O-N 2.92Å; L106-F108 PolarHBondContact O-N 3.36Å; L106-T109 PolarHBondContact O-N 3.04Å; L106-T109 VanDerWaalsContact O-N 3.16Å; L106-L110 HydrophobicContact CD1-CG 4.48Å; L106-L110 HydrophobicContact CG-CD1 4.32Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.37Å
107F93.3Very high90.4Very high114 Ų11452.3 Ų52.350%0.527%0.271SS..Hα-helixtrans-56-50.6177.1171.9-102.9000112.2G103 V104 T109 L110 L111G103-F107 PolarHBondContact O-N 2.97Å; V104-F107 WeakPolarHBondContact O-CB 3.39Å; V104-F107 PolarHBondContact O-N 3.4Å; F107-T109 VanDerWaalsContact C-N 3.29Å; F107-T109 PolarHBondContact O-N 3.5Å; F107-L110 PolarHBondContact O-N 3.46Å; F107-L111 HydrophobicContact CD1-CD1 4.05Å; F107-L111 HydrophobicContact CE1-CD1 3.39Å; F107-L111 HydrophobicContact CE1-CG 4.18Å; F107-L111 HydrophobicContact CE2-CD1 4.31Å; F107-L111 HydrophobicContact CE2-CG 4.34Å; F107-L111 HydrophobicContact CZ-CD1 3.55Å; F107-L111 HydrophobicContact CZ-CD2 4.38Å; F107-L111 HydrophobicContact CZ-CG 4.05Å; F107-L111 PolarHBondContact O-N 2.91Å
108F94.1Very high90.8Very high50 Ų5048.8 Ų48.822%0.21926%0.257CS..Hα-helixtrans-66.4-30.2178.1-80.1-70000113.3I66 A70 I74 V104 L106 L111 M112I66-F108 HydrophobicContact CG2-CE1 4.01Å; A70-F108 HydrophobicContact CB-CB 4.18Å; A70-F108 HydrophobicContact CB-CD1 3.38Å; A70-F108 HydrophobicContact CB-CD2 3.88Å; A70-F108 HydrophobicContact CB-CE1 3.6Å; A70-F108 HydrophobicContact CB-CE2 4.06Å; A70-F108 HydrophobicContact CB-CG 3.54Å; A70-F108 HydrophobicContact CB-CZ 3.93Å; I74-F108 HydrophobicContact CD1-CB 3.87Å; I74-F108 HydrophobicContact CD1-CD2 4.05Å; I74-F108 HydrophobicContact CD1-CG 4.26Å; V104-F108 HydrophobicContact CG1-CD2 3.83Å; V104-F108 HydrophobicContact CG1-CE2 3.81Å; V104-F108 WeakPolarHBondContact O-CD2 3.48Å; V104-F108 PolarHBondContact O-N 3.38Å; V104-F108 VanDerWaalsContact O-N 3.11Å; L106-F108 PolarHBondContact O-N 3.36Å; F108-L111 HydrophobicContact CD1-CD1 4.08Å; F108-L111 HydrophobicContact CE1-CD1 4.33Å; F108-L111 PolarHBondContact O-N 3.49Å; F108-M112 PolarHBondContact O-N 2.9Å
109T92.8Very high91.3Very high6 Ų648.9 Ų48.94%0.03726%0.258CS..Hα-helixtrans-69.5-37174.9-57.10000111.5S105 L106 F107 M112 L113 F273 Q276 L280S105-T109 WeakPolarHBondContact O-CB 3.41Å; S105-T109 PolarHBondContact O-N 2.98Å; S105-T109 PolarHBondContact O-OG1 3.39Å; L106-T109 PolarHBondContact O-N 3.04Å; L106-T109 VanDerWaalsContact O-N 3.16Å; F107-T109 VanDerWaalsContact C-N 3.29Å; F107-T109 PolarHBondContact O-N 3.5Å; T109-M112 WeakPolarHBondContact O-CB 3.4Å; T109-M112 PolarHBondContact O-N 3.1Å; T109-L113 PolarHBondContact O-N 3.1Å; T109-L113 VanDerWaalsContact O-N 3.13Å; T109-F273 HydrophobicContact CG2-CD2 3.81Å; T109-F273 HydrophobicContact CG2-CE2 3.61Å; T109-F273 WeakPolarHBondContact O-CE2 3.31Å; T109-Q276 HydrophobicContact CG2-CG 4.08Å; T109-Q276 WeakPolarHBondContact OG1-CG 3.33Å; T109-L280 HydrophobicContact CG2-CD1 4.28Å; T109-L280 WeakPolarHBondContact OG1-CD1 3.42Å
110L94.1Very high91.7Very high98 Ų9848.5 Ų48.551%0.51325%0.253SS..Hα-helixtrans-68.6-37.3172.1-66.9174.5000112.3L106 F107 M112 L113 S114L106-L110 HydrophobicContact CD1-CG 4.48Å; L106-L110 HydrophobicContact CG-CD1 4.32Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.37Å; F107-L110 PolarHBondContact O-N 3.46Å; L110-M112 VanDerWaalsContact C-N 3.29Å; L110-M112 PolarHBondContact O-N 3.17Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 3.49Å; L110-S114 PolarHBondContact O-N 3.16Å
111L94.8Very high91.8Very high54 Ų5448.2 Ų48.228%0.28326%0.257SS..Hα-helixtrans-64.7-32.8171.7-72.6-178000112.8V67 F107 F108 S114 T115V67-L111 HydrophobicContact CG1-CB 3.73Å; F107-L111 HydrophobicContact CD1-CD1 4.05Å; F107-L111 HydrophobicContact CE1-CD1 3.39Å; F107-L111 HydrophobicContact CE1-CG 4.18Å; F107-L111 HydrophobicContact CE2-CD1 4.31Å; F107-L111 HydrophobicContact CE2-CG 4.34Å; F107-L111 HydrophobicContact CZ-CD1 3.55Å; F107-L111 HydrophobicContact CZ-CD2 4.38Å; F107-L111 HydrophobicContact CZ-CG 4.05Å; F107-L111 PolarHBondContact O-N 2.91Å; F108-L111 HydrophobicContact CD1-CD1 4.08Å; F108-L111 HydrophobicContact CE1-CD1 4.33Å; F108-L111 PolarHBondContact O-N 3.49Å; L111-S114 WeakPolarHBondContact CA-OG 3.46Å; L111-S114 PolarHBondContact O-N 2.74Å; L111-S114 PolarHBondContact O-OG 3.03Å; L111-T115 PolarHBondContact O-N 3.16Å; L111-T115 PolarHBondContact O-OG1 2.86Å
112M94.3Very high91.7Very high3 Ų347.2 Ų47.22%0.01525%0.254CS..Hα-helixtrans-64.8-43.5172.7-172.5179.6-74.100110.5V67 F108 T109 L110 T115 V116 V269 I272 F273V67-M112 HydrophobicContact CB-CB 4.48Å; V67-M112 HydrophobicContact CG2-CB 4.47Å; V67-M112 HydrophobicContact CG2-CE 4.46Å; F108-M112 PolarHBondContact O-N 2.9Å; T109-M112 WeakPolarHBondContact O-CB 3.4Å; T109-M112 PolarHBondContact O-N 3.1Å; L110-M112 VanDerWaalsContact C-N 3.29Å; L110-M112 PolarHBondContact O-N 3.17Å; M112-T115 WeakPolarHBondContact O-CB 3.44Å; M112-T115 PolarHBondContact O-N 3.45Å; M112-V116 PolarHBondContact O-N 3.22Å; M112-V116 VanDerWaalsContact O-N 3.11Å; M112-V269 HydrophobicContact CG-CG1 3.72Å; M112-V269 HydrophobicContact SD-CG1 4.37Å; M112-I272 HydrophobicContact CE-CG2 4.36Å; M112-I272 HydrophobicContact SD-CG2 4.23Å; M112-F273 HydrophobicContact CG-CB 4.3Å; M112-F273 HydrophobicContact SD-CB 3.91Å
113L94.6Very high91.8Very high56 Ų5650.8 Ų50.829%0.29327%0.27SS..Hα-helixtrans-62.1-43.1174.9-178.163.3000112.3T109 L110 T115 V116 I117 F273T109-L113 PolarHBondContact O-N 3.1Å; T109-L113 VanDerWaalsContact O-N 3.13Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 3.49Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3.46Å; L113-V116 WeakPolarHBondContact O-CB 3.42Å; L113-V116 PolarHBondContact O-N 3.16Å; L113-I117 HydrophobicContact CG-CD1 4.22Å; L113-I117 WeakPolarHBondContact O-CG1 3.28Å; L113-I117 PolarHBondContact O-N 3.11Å; L113-F273 HydrophobicContact CB-CD2 4.11Å; L113-F273 HydrophobicContact CB-CE2 3.75Å; L113-F273 HydrophobicContact CB-CZ 4.21Å; L113-F273 HydrophobicContact CD1-CE1 4.21Å; L113-F273 HydrophobicContact CD1-CE2 4.45Å; L113-F273 HydrophobicContact CD1-CZ 4.16Å; L113-F273 HydrophobicContact CD2-CE2 4.46Å; L113-F273 HydrophobicContact CD2-CZ 4.17Å; L113-F273 HydrophobicContact CG-CE2 4.44Å; L113-F273 HydrophobicContact CG-CZ 4.42Å
114S93.6Very high91.9Very high43 Ų4351.9 Ų51.930%0.30128%0.281SS..Hα-helixtrans-62-37.2176.671.70000111.8L110 L111 V116 I117 M118L110-S114 PolarHBondContact O-N 3.16Å; L111-S114 WeakPolarHBondContact CA-OG 3.46Å; L111-S114 PolarHBondContact O-N 2.74Å; L111-S114 PolarHBondContact O-OG 3.03Å; S114-V116 PolarHBondContact O-N 3.43Å; S114-I117 PolarHBondContact O-N 2.86Å; S114-M118 WeakPolarHBondContact O-CB 3.36Å; S114-M118 VanDerWaalsContact O-CG 3.28Å; S114-M118 WeakPolarHBondContact O-CG 3.44Å; S114-M118 PolarHBondContact O-N 3.44Å
115T92.2Very high91.9Very high4 Ų451.3 Ų51.33%0.02528%0.276CS..Hα-helixtrans-63.2-41175.5-570000111.8V60 T63 L64 L111 M112 L113 M118 S119V60-T115 HydrophobicContact CG1-CG2 4.32Å; T63-T115 WeakPolarHBondContact CB-OG1 3.33Å; T63-T115 WeakPolarHBondContact OG1-CG2 3.39Å; T63-T115 PolarHBondContact OG1-OG1 2.95Å; L64-T115 HydrophobicContact CB-CG2 4.24Å; L64-T115 HydrophobicContact CD1-CG2 4.07Å; L111-T115 PolarHBondContact O-N 3.16Å; L111-T115 PolarHBondContact O-OG1 2.86Å; M112-T115 WeakPolarHBondContact O-CB 3.44Å; M112-T115 PolarHBondContact O-N 3.45Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3.46Å; T115-M118 PolarHBondContact O-N 2.8Å; T115-S119 PolarHBondContact O-N 3.43Å
116V93.6Very high91.9Very high8 Ų851.3 Ų51.35%0.04828%0.276CS..Hα-helixtrans-60.5-48.1173.8175.70000110.3M112 L113 S114 M118 S119 Y120 V269 L270M112-V116 PolarHBondContact O-N 3.22Å; M112-V116 VanDerWaalsContact O-N 3.11Å; L113-V116 WeakPolarHBondContact O-CB 3.42Å; L113-V116 PolarHBondContact O-N 3.16Å; S114-V116 PolarHBondContact O-N 3.43Å; V116-M118 VanDerWaalsContact C-N 3.34Å; V116-M118 PolarHBondContact O-N 3.32Å; V116-S119 WeakPolarHBondContact O-CB 3.48Å; V116-S119 PolarHBondContact O-N 2.81Å; V116-S119 PolarHBondContact O-OG 3.3Å; V116-Y120 HydrophobicContact CG1-CD2 4.26Å; V116-Y120 HydrophobicContact CG1-CE2 3.76Å; V116-Y120 WeakPolarHBondContact O-CD2 3.31Å; V116-V269 HydrophobicContact CG2-CB 4.08Å; V116-V269 HydrophobicContact CG2-CG1 3.69Å; V116-L270 HydrophobicContact CG1-CB 4.13Å; V116-L270 HydrophobicContact CG1-CD1 4.36Å; V116-L270 HydrophobicContact CG2-CB 4.36Å
117I93Very high92Very high105 Ų10551.7 Ų51.754%0.53828%0.276SS..Hα-helixtrans-59.7-46.4178.9-64.6166000110.9L113 S114 S119 Y120 A121L113-I117 HydrophobicContact CG-CD1 4.22Å; L113-I117 WeakPolarHBondContact O-CG1 3.28Å; L113-I117 PolarHBondContact O-N 3.11Å; S114-I117 PolarHBondContact O-N 2.86Å; I117-S119 VanDerWaalsContact C-N 3.29Å; I117-S119 PolarHBondContact O-N 2.85Å; I117-Y120 PolarHBondContact O-N 3.42Å; I117-A121 WeakPolarHBondContact O-CB 3.41Å; I117-A121 PolarHBondContact O-N 3.25Å
118M91.2Very high92Very high64 Ų6453 Ų5332%0.31528%0.277SS..Hα-helixtrans-61.6-36.7178.1-70.718073.900112.3A59 V60 S114 T115 V116 Y120 A121 M122A59-M118 HydrophobicContact CB-CE 3.74Å; V60-M118 HydrophobicContact CG2-CB 3.59Å; S114-M118 WeakPolarHBondContact O-CB 3.36Å; S114-M118 VanDerWaalsContact O-CG 3.28Å; S114-M118 WeakPolarHBondContact O-CG 3.44Å; S114-M118 PolarHBondContact O-N 3.44Å; T115-M118 PolarHBondContact O-N 2.8Å; V116-M118 VanDerWaalsContact C-N 3.34Å; V116-M118 PolarHBondContact O-N 3.32Å; M118-Y120 PolarHBondContact O-N 3.12Å; M118-A121 PolarHBondContact O-N 3.18Å; M118-M122 HydrophobicContact CB-SD 4.29Å; M118-M122 HydrophobicContact CE-SD 4.18Å; M118-M122 WeakPolarHBondContact O-CB 3.43Å; M118-M122 WeakPolarHBondContact O-CG 3.24Å; M118-M122 PolarHBondContact O-N 3Å
119S90.5Very high92Very high4 Ų450.6 Ų50.63%0.02827%0.267CS..Hα-helixtrans-59.3-29.1178.375.30000113.5T115 V116 I117T115-S119 PolarHBondContact O-N 3.43Å; V116-S119 WeakPolarHBondContact O-CB 3.48Å; V116-S119 PolarHBondContact O-N 2.81Å; V116-S119 PolarHBondContact O-OG 3.3Å; I117-S119 VanDerWaalsContact C-N 3.29Å; I117-S119 PolarHBondContact O-N 2.85Å
120Y88.1Confident92.1Very high99 Ų9950.3 Ų50.339%0.38827%0.265SS..Hα-helixtrans-91.9-33.2175.5-63.3-69.2000113.1V116 I117 M118 N263 A267V116-Y120 HydrophobicContact CG1-CD2 4.26Å; V116-Y120 HydrophobicContact CG1-CE2 3.76Å; V116-Y120 WeakPolarHBondContact O-CD2 3.31Å; I117-Y120 PolarHBondContact O-N 3.42Å; M118-Y120 PolarHBondContact O-N 3.12Å; Y120-N263 WeakPolarHBondContact CD1-OD1 3.39Å; Y120-N263 HydrophobicContact CE1-CB 4.11Å; Y120-N263 WeakPolarHBondContact CE1-OD1 3.47Å; Y120-N263 PolarHBondContact OH-O 2.98Å; Y120-A267 PolarHBondContact OH-N 2.03Å
121A89.5Confident92.1Very high72 Ų7250.9 Ų50.960%0.59526%0.264SS*.Hα-helixtrans-78.9-21.4-175.300000114.2I117 M118 K123I117-A121 WeakPolarHBondContact O-CB 3.41Å; I117-A121 PolarHBondContact O-N 3.25Å; M118-A121 PolarHBondContact O-N 3.18Å; A121-K123 VanDerWaalsContact C-N 3.26Å; A121-K123 PolarHBondContact O-N 3.46Å
122M86.2Confident92.1Very high14 Ų1450.6 Ų50.67%0.06926%0.262CS..THydrogen-bonded Turntrans-77.51.8-171.2-78-179.472.100116.3E56 I57 V60 M118 G124 N125 L126E56-M122 VanDerWaalsContact O-CE 3.27Å; E56-M122 WeakPolarHBondContact O-CE 3.31Å; I57-M122 VanDerWaalsContact CA-CE 3.48Å; V60-M122 HydrophobicContact CB-SD 4.13Å; V60-M122 HydrophobicContact CG2-CE 4.49Å; V60-M122 HydrophobicContact CG2-SD 3.2Å; V60-M122 WeakPolarHBondContact CG2-SD 2.86Å; M118-M122 HydrophobicContact CB-SD 4.29Å; M118-M122 HydrophobicContact CE-SD 4.18Å; M118-M122 WeakPolarHBondContact O-CB 3.43Å; M118-M122 WeakPolarHBondContact O-CG 3.24Å; M118-M122 PolarHBondContact O-N 3Å; M122-G124 VanDerWaalsContact C-N 3.26Å; M122-G124 PolarHBondContact O-N 3.12Å; M122-N125 PolarHBondContact O-N 3.17Å; M122-L126 WeakPolarHBondContact O-CB 3.46Å; M122-L126 PolarHBondContact O-N 3.35Å
123K89.7Confident92.1Very high105 Ų10550.6 Ų50.646%0.45726%0.263SS..Hα-helixtrans-50.8-45.1179.9-174.7178.7176-175.60112.6A121 L126 E127 V255 M259A121-K123 VanDerWaalsContact C-N 3.26Å; A121-K123 PolarHBondContact O-N 3.46Å; K123-L126 PolarHBondContact O-N 3.45Å; K123-E127 WeakPolarHBondContact O-CB 3.44Å; K123-E127 PolarHBondContact O-N 2.71Å; K123-V255 HydrophobicContact CG-CG1 4.39Å; K123-M259 VanDerWaalsContact CA-SD 3.58Å; K123-M259 HydrophobicContact CB-CE 3.85Å; K123-M259 HydrophobicContact CB-CG 4.35Å; K123-M259 HydrophobicContact CB-SD 3.63Å; K123-M259 HydrophobicContact CG-CE 4.38Å; K123-M259 HydrophobicContact CG-CG 4.05Å; K123-M259 HydrophobicContact CG-SD 4.01Å
124G90.3Very high92.2Very high44 Ų4448.1 Ų48.145%0.45425%0.25SC..Hα-helixtrans-63.9-49.1-178.600000112.9M122 L126 E127 W128M122-G124 VanDerWaalsContact C-N 3.26Å; M122-G124 PolarHBondContact O-N 3.12Å; G124-L126 VanDerWaalsContact C-N 3.31Å; G124-L126 PolarHBondContact O-N 2.95Å; G124-E127 PolarHBondContact O-N 3.09Å; G124-W128 WeakPolarHBondContact O-CB 3.31Å; G124-W128 PolarHBondContact O-N 3.49Å
125N90.8Very high92.3Very high68 Ų6853 Ų5336%0.36427%0.265SS..Hα-helixtrans-63.6-39.2179.5-62.846.2000111.2E56 M122 S129E56-N125 PolarHBondContact OE2-ND2 3.01Å; M122-N125 PolarHBondContact O-N 3.17Å; N125-S129 VanDerWaalsContact O-CB 3.27Å; N125-S129 WeakPolarHBondContact O-CB 3.49Å; N125-S129 PolarHBondContact O-N 3.19Å
126L91.4Very high92.3Very high1 Ų155.5 Ų55.51%0.00528%0.279CS..Hα-helixtrans-63-50.5175.4176.164.8000111.5I57 M122 K123 G124 W128 S129 L130 Y258 M259I57-L126 HydrophobicContact CD1-CD1 4.05Å; I57-L126 HydrophobicContact CG2-CD1 4.31Å; M122-L126 WeakPolarHBondContact O-CB 3.46Å; M122-L126 PolarHBondContact O-N 3.35Å; K123-L126 PolarHBondContact O-N 3.45Å; G124-L126 VanDerWaalsContact C-N 3.31Å; G124-L126 PolarHBondContact O-N 2.95Å; L126-W128 VanDerWaalsContact C-N 3.33Å; L126-W128 PolarHBondContact O-N 3.48Å; L126-S129 PolarHBondContact O-N 2.88Å; L126-L130 HydrophobicContact CD1-CD1 3.85Å; L126-L130 HydrophobicContact CD1-CG 4.2Å; L126-L130 HydrophobicContact CG-CD1 3.94Å; L126-L130 WeakPolarHBondContact O-CB 3.4Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.07Å; L126-Y258 HydrophobicContact CD1-CD2 4.41Å; L126-M259 HydrophobicContact CD2-CG 4.2Å; L126-M259 HydrophobicContact CD2-SD 4.31Å
127E93.5Very high92.3Very high74 Ų7455.1 Ų55.135%0.34628%0.277SS..Hα-helixtrans-61-42.7179.5-177.6173.2-178.600111.7K123 G124 L130 K131 R251 V255K123-E127 WeakPolarHBondContact O-CB 3.44Å; K123-E127 PolarHBondContact O-N 2.71Å; G124-E127 PolarHBondContact O-N 3.09Å; E127-L130 PolarHBondContact O-N 2.92Å; E127-K131 VanDerWaalsContact O-CB 3.31Å; E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 PolarHBondContact O-N 3.03Å; E127-R251 HydrophobicContact CG-CG 4.21Å; E127-R251 IonicContact OE1-NE 3.35Å; E127-R251 PolarHBondContact OE1-NE 2.9Å; E127-V255 HydrophobicContact CB-CG2 3.86Å; E127-V255 HydrophobicContact CG-CG2 4.12Å
128W93.6Very high92.4Very high140 Ų14050.5 Ų50.553%0.5325%0.253SS..Hα-helixtrans-64.7-45.4178.7-174.988.7000112.3N54 G124 L126 L130 K131 I132N54-W128 HydrophobicContact CB-CZ3 4.45Å; G124-W128 WeakPolarHBondContact O-CB 3.31Å; G124-W128 PolarHBondContact O-N 3.49Å; L126-W128 VanDerWaalsContact C-N 3.33Å; L126-W128 PolarHBondContact O-N 3.48Å; W128-L130 PolarHBondContact O-N 3.48Å; W128-K131 WeakPolarHBondContact O-CB 3.46Å; W128-K131 PolarHBondContact O-N 3.45Å; W128-I132 HydrophobicContact CD2-CD1 3.77Å; W128-I132 HydrophobicContact CE3-CD1 3.93Å; W128-I132 HydrophobicContact CH2-CD1 3.36Å; W128-I132 HydrophobicContact CZ2-CD1 3.17Å; W128-I132 HydrophobicContact CZ3-CD1 3.73Å; W128-I132 PolarHBondContact O-N 2.87Å; W128-I132 VanDerWaalsContact O-N 3.11Å
129S93.8Very high92.5Very high0 Ų054.2 Ų54.20%026%0.264CS..Hα-helixtrans-61.3-43.8176.5-178.50000112.2D53 N54 I57 N125 L126 K131 I132 G133D53-S129 PolarHBondContact N-OG 3.47Å; N54-S129 PolarHBondContact N-OG 2.94Å; I57-S129 WeakPolarHBondContact CD1-OG 3.27Å; N125-S129 VanDerWaalsContact O-CB 3.27Å; N125-S129 WeakPolarHBondContact O-CB 3.49Å; N125-S129 PolarHBondContact O-N 3.19Å; L126-S129 PolarHBondContact O-N 2.88Å; S129-K131 VanDerWaalsContact C-N 3.35Å; S129-I132 PolarHBondContact O-N 3.39Å; S129-G133 PolarHBondContact O-N 3.25Å
130L94.9Very high92.7Very high1 Ų156.1 Ų56.11%0.00527%0.272CS..Hα-helixtrans-65.8-38.6176.1-73.6170.1000111.5M52 L126 E127 W128 I132 L134 R251 L254 V255M52-L130 HydrophobicContact CG-CD2 3.84Å; L126-L130 HydrophobicContact CD1-CD1 3.85Å; L126-L130 HydrophobicContact CD1-CG 4.2Å; L126-L130 HydrophobicContact CG-CD1 3.94Å; L126-L130 WeakPolarHBondContact O-CB 3.4Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.07Å; E127-L130 PolarHBondContact O-N 2.92Å; W128-L130 PolarHBondContact O-N 3.48Å; L130-I132 VanDerWaalsContact C-N 3.33Å; L130-I132 PolarHBondContact O-N 3.41Å; L130-L134 WeakPolarHBondContact O-CB 3.28Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 2.97Å; L130-R251 HydrophobicContact CB-CG 4.34Å; L130-L254 HydrophobicContact CD1-CB 3.73Å; L130-L254 HydrophobicContact CD2-CB 4.22Å; L130-L254 HydrophobicContact CD2-CD1 3.72Å; L130-V255 HydrophobicContact CD1-CG2 3.69Å
131K95.2Very high93Very high110 Ų11051.6 Ų51.648%0.47825%0.254SS..Hα-helixtrans-58.3-45.6176.9-176.5177.7179.2176.70111.3E127 W128 S129 K135 N168E127-K131 VanDerWaalsContact O-CB 3.31Å; E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 PolarHBondContact O-N 3.03Å; W128-K131 WeakPolarHBondContact O-CB 3.46Å; W128-K131 PolarHBondContact O-N 3.45Å; S129-K131 VanDerWaalsContact C-N 3.35Å; K131-K135 VanDerWaalsContact O-CB 3.25Å; K131-K135 WeakPolarHBondContact O-CB 3.32Å; K131-K135 PolarHBondContact O-N 3.37Å; K131-N168 PolarHBondContact O-ND2 2.87Å
132I94.8Very high93.2Very high47 Ų4750.6 Ų50.624%0.24124%0.236CC..Hα-helixtrans-75-48.4-179.8-65.8173.7000110.8D53 W128 S129 L130 L134 K135 N136D53-I132 HydrophobicContact CB-CB 4.09Å; D53-I132 HydrophobicContact CB-CG2 3.89Å; W128-I132 HydrophobicContact CD2-CD1 3.77Å; W128-I132 HydrophobicContact CE3-CD1 3.93Å; W128-I132 HydrophobicContact CH2-CD1 3.36Å; W128-I132 HydrophobicContact CZ2-CD1 3.17Å; W128-I132 HydrophobicContact CZ3-CD1 3.73Å; W128-I132 PolarHBondContact O-N 2.87Å; W128-I132 VanDerWaalsContact O-N 3.11Å; S129-I132 PolarHBondContact O-N 3.39Å; L130-I132 VanDerWaalsContact C-N 3.33Å; L130-I132 PolarHBondContact O-N 3.41Å; I132-L134 PolarHBondContact O-N 3.22Å; I132-K135 PolarHBondContact O-N 2.86Å; I132-N136 PolarHBondContact O-N 3.49Å
133G94.1Very high93.4Very high4 Ų451.7 Ų51.74%0.04124%0.242CC..Hα-helixtrans-59.7-46.9-178.900000112.7V51 S129 N136 G137V51-G133 CarbonylContact O-C 3.33Å; V51-G133 WeakPolarHBondContact O-CA 3.37Å; S129-G133 PolarHBondContact O-N 3.25Å; G133-N136 PolarHBondContact O-N 2.91Å; G133-G137 PolarHBondContact O-N 3.46Å
134L96Very high93.3Very high3 Ų348.3 Ų48.32%0.01623%0.23CC..Hα-helixtrans-65.3-39.5175.2-70.8169.5000112.3V51 L130 I132 N136 G137 I138 I156 L159 N168 C250 R251 L254V51-L134 HydrophobicContact CB-CD2 4.18Å; V51-L134 HydrophobicContact CG1-CD2 4.34Å; L130-L134 WeakPolarHBondContact O-CB 3.28Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 2.97Å; I132-L134 PolarHBondContact O-N 3.22Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.88Å; L134-G137 PolarHBondContact O-N 3.24Å; L134-I138 WeakPolarHBondContact O-CG1 3.33Å; L134-I138 PolarHBondContact O-N 3.11Å; L134-I156 HydrophobicContact CD2-CD1 4.47Å; L134-L159 HydrophobicContact CD2-CD1 4.23Å; L134-N168 HydrophobicContact CB-CB 4.17Å; L134-C250 HydrophobicContact CD1-CB 4.12Å; L134-C250 HydrophobicContact CD2-CB 4.39Å; L134-R251 HydrophobicContact CD1-CB 3.97Å; L134-L254 HydrophobicContact CD1-CD1 4.14Å; L134-L254 HydrophobicContact CD2-CD1 4.26Å
135K95.6Very high93.1Very high145 Ų14550.9 Ų50.963%0.6323%0.234SC*.Hα-helixtrans-60.5-43.8176.7-174.9174.5-176.2173.90111.1K131 I132 R139 N168K131-K135 VanDerWaalsContact O-CB 3.25Å; K131-K135 WeakPolarHBondContact O-CB 3.32Å; K131-K135 PolarHBondContact O-N 3.37Å; I132-K135 PolarHBondContact O-N 2.86Å; K135-R139 WeakPolarHBondContact O-CB 3.48Å; K135-R139 PolarHBondContact O-N 2.95Å; K135-N168 PolarHBondContact N-ND2 2.88Å
136N93.4Very high92.9Very high57 Ų5750.5 Ų50.531%0.30523%0.234SC..Hα-helixtrans-67.6-41.1175.6-73.5-23.3000111.8I132 G133 L134 I138 R139 F140I132-N136 PolarHBondContact O-N 3.49Å; G133-N136 PolarHBondContact O-N 2.91Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 2.88Å; N136-I138 PolarHBondContact O-N 3.23Å; N136-R139 WeakPolarHBondContact O-CB 3.45Å; N136-R139 PolarHBondContact O-N 3.13Å; N136-F140 HydrophobicContact CB-CE2 4.47Å; N136-F140 WeakPolarHBondContact O-CD2 3.4Å; N136-F140 PolarHBondContact O-N 3.47Å
137G93.8Very high92.6Very high1 Ų156 Ų561%0.0127%0.27CS..Hα-helixtrans-61.6-42.117800000113.3G133 L134 Y141 Q152G133-G137 PolarHBondContact O-N 3.46Å; L134-G137 PolarHBondContact O-N 3.24Å; G137-Y141 PolarHBondContact O-N 3.06Å; G137-Y141 VanDerWaalsContact O-N 3.12Å; G137-Q152 WeakPolarHBondContact O-CG 3.22Å
138I95Very high92Very high7 Ų756.5 Ų56.54%0.03630%0.295CS..Hα-helixtrans-66.5-44.2173.4-67.9170.6000110.5L134 N136 F140 Y141 N168 D173 W174 V177L134-I138 WeakPolarHBondContact O-CG1 3.33Å; L134-I138 PolarHBondContact O-N 3.11Å; N136-I138 PolarHBondContact O-N 3.23Å; I138-F140 VanDerWaalsContact C-N 3.27Å; I138-F140 PolarHBondContact O-N 3.32Å; I138-Y141 WeakPolarHBondContact O-CB 3.35Å; I138-Y141 PolarHBondContact O-N 2.88Å; I138-N168 HydrophobicContact CD1-CB 4.01Å; I138-D173 HydrophobicContact CD1-CB 4.48Å; I138-W174 HydrophobicContact CB-CH2 4.36Å; I138-W174 HydrophobicContact CB-CZ3 4.45Å; I138-W174 HydrophobicContact CG1-CH2 4.05Å; I138-W174 HydrophobicContact CG1-CZ2 4.03Å; I138-W174 HydrophobicContact CG2-CD2 4.23Å; I138-W174 HydrophobicContact CG2-CE3 3.8Å; I138-W174 HydrophobicContact CG2-CH2 4.05Å; I138-W174 HydrophobicContact CG2-CZ2 4.45Å; I138-W174 HydrophobicContact CG2-CZ3 3.71Å; I138-V177 HydrophobicContact CG2-CB 4.25Å; I138-V177 HydrophobicContact CG2-CG1 4.36Å; I138-V177 HydrophobicContact CG2-CG2 4.06Å
139R93.1Very high91.7Very high143 Ų14354.4 Ų54.454%0.5429%0.287SS..Hα-helixtrans-57.4-39.6179.8-176.8179.8-179.7177.51.3113K135 N136K135-R139 WeakPolarHBondContact O-CB 3.48Å; K135-R139 PolarHBondContact O-N 2.95Å; N136-R139 WeakPolarHBondContact O-CB 3.45Å; N136-R139 PolarHBondContact O-N 3.13Å
140F93.3Very high91.4Very high44 Ų4457.2 Ų57.219%0.19331%0.306CS..THydrogen-bonded Turntrans-100.912.1-177.5-56.8-51.9000113.5N136 I138 K142 D143 R149N136-F140 HydrophobicContact CB-CE2 4.47Å; N136-F140 WeakPolarHBondContact O-CD2 3.4Å; N136-F140 PolarHBondContact O-N 3.47Å; I138-F140 VanDerWaalsContact C-N 3.27Å; I138-F140 PolarHBondContact O-N 3.32Å; F140-K142 PolarHBondContact O-N 3.48Å; F140-D143 VanDerWaalsContact CD1-OD2 3.24Å; F140-D143 WeakPolarHBondContact CD1-OD2 3.3Å; F140-D143 WeakPolarHBondContact O-CB 3.34Å; F140-D143 PolarHBondContact O-N 3.39Å; F140-R149 VanDerWaalsContact CE2-NH1 3.32Å
141Y94.9Very high91.2Very high3 Ų363.4 Ų63.41%0.01233%0.333CS..THydrogen-bonded Turntrans-55.9-34.6178.9-179.6-95000113.5G137 I138 D143 K153 I156 D157 W174 W179 P210G137-Y141 PolarHBondContact O-N 3.06Å; G137-Y141 VanDerWaalsContact O-N 3.12Å; I138-Y141 WeakPolarHBondContact O-CB 3.35Å; I138-Y141 PolarHBondContact O-N 2.88Å; Y141-D143 VanDerWaalsContact C-N 3.32Å; Y141-D143 PolarHBondContact O-N 2.94Å; Y141-K153 HydrophobicContact CD2-CB 4.39Å; Y141-K153 HydrophobicContact CD2-CG 4.33Å; Y141-K153 HydrophobicContact CE1-CD 4.47Å; Y141-K153 HydrophobicContact CE1-CG 4.16Å; Y141-K153 HydrophobicContact CE2-CB 4.25Å; Y141-K153 HydrophobicContact CE2-CG 3.75Å; Y141-K153 VanDerWaalsContact CZ-NZ 3.31Å; Y141-K153 PolarHBondContact OH-NZ 2.91Å; Y141-I156 HydrophobicContact CD2-CB 3.89Å; Y141-I156 HydrophobicContact CD2-CG1 4.32Å; Y141-I156 HydrophobicContact CD2-CG2 3.94Å; Y141-I156 HydrophobicContact CE2-CB 4.04Å; Y141-I156 HydrophobicContact CE2-CG2 3.98Å; Y141-D157 WeakPolarHBondContact CE2-OD1 3.37Å; Y141-D157 VanDerWaalsContact CZ-OD1 3.25Å; Y141-D157 PolarHBondContact OH-OD1 3.12Å; Y141-D157 PolarHBondContact OH-OD2 2.73Å; Y141-W174 HydrophobicContact CD1-CH2 4.12Å; Y141-W174 AromaticContact CD1-CZ3 3.87Å; Y141-W174 HydrophobicContact CD1-CZ3 3.87Å; Y141-W174 AromaticContact CD2-CH2 3.6Å; Y141-W174 HydrophobicContact CD2-CH2 3.6Å; Y141-W174 HydrophobicContact CD2-CZ3 4.16Å; Y141-W174 HydrophobicContact CE1-CH2 4.41Å; Y141-W174 HydrophobicContact CE1-CZ3 4.35Å; Y141-W174 AromaticContact CE2-CH2 3.94Å; Y141-W174 HydrophobicContact CE2-CH2 3.94Å; Y141-W174 AromaticContact CG-CH2 3.68Å; Y141-W174 HydrophobicContact CG-CH2 3.68Å; Y141-W174 AromaticContact CG-CZ3 3.74Å; Y141-W174 HydrophobicContact CG-CZ3 3.74Å; Y141-W179 HydrophobicContact CD1-CB 3.91Å; Y141-W179 HydrophobicContact CD1-CE3 4.34Å; Y141-W179 AromaticContact CE1-CE3 3.93Å; Y141-W179 HydrophobicContact CE1-CE3 3.93Å; Y141-P210 HydrophobicContact CE1-CB 4.26Å; Y141-P210 HydrophobicContact CE1-CG 3.95Å; Y141-P210 WeakPolarHBondContact OH-CB 3.4Å
142K93.3Very high91Very high51 Ų5159.3 Ų59.322%0.22232%0.315CS..THydrogen-bonded Turntrans-76.7-14.5179.868166.6168.4-168.30114.5F140 T144 Q178 W179F140-K142 PolarHBondContact O-N 3.48Å; K142-T144 PolarHBondContact O-N 2.93Å; K142-Q178 VanDerWaalsContact CD-O 3.23Å; K142-Q178 WeakPolarHBondContact CD-O 3.38Å; K142-W179 VanDerWaalsContact CB-O 3.29Å; K142-W179 WeakPolarHBondContact CB-O 3.46Å
143D91.2Very high91Very high37 Ų3760.6 Ų60.620%0.19832%0.319CS..  trans-8548.4-167.7-65.4-18.7000112.1F140 Y141 D145 T146 R149F140-D143 VanDerWaalsContact CD1-OD2 3.24Å; F140-D143 WeakPolarHBondContact CD1-OD2 3.3Å; F140-D143 WeakPolarHBondContact O-CB 3.34Å; F140-D143 PolarHBondContact O-N 3.39Å; Y141-D143 VanDerWaalsContact C-N 3.32Å; Y141-D143 PolarHBondContact O-N 2.94Å; D143-D145 PolarHBondContact O-N 2.74Å; D143-T146 PolarHBondContact O-N 2.91Å; D143-R149 HydrophobicContact CB-CB 4.45Å; D143-R149 IonicContact OD2-NH1 2.79Å
144T88.2Confident90.9Very high34 Ų3466.1 Ų66.121%0.20934%0.344CS..THydrogen-bonded Turntrans-67.8-22.1-177.553.60000113.4K142 C150 K153K142-T144 PolarHBondContact O-N 2.93Å; T144-C150 WeakPolarHBondContact O-CA 3.4Å; T144-C150 PolarHBondContact O-SG 3.01Å; T144-K153 HydrophobicContact CG2-CB 3.71Å; T144-K153 HydrophobicContact CG2-CD 3.74Å; T144-K153 HydrophobicContact CG2-CG 4.36Å
145D86Confident90.8Very high98 Ų9867.8 Ų67.852%0.52435%0.354SS..THydrogen-bonded Turntrans-96.1-2.3-177.8-57.7-50.4000113.1D143 R183D143-D145 PolarHBondContact O-N 2.74Å; D145-R183 IonicContact OD1-NH1 3.91Å; D145-R183 PolarHBondContact OD1-NH1 3.31Å; D145-R183 VanDerWaalsContact OD2-CD 3.3Å; D145-R183 WeakPolarHBondContact OD2-CD 3.25Å; D145-R183 IonicContact OD2-CZ 2.86Å; D145-R183 IonicContact OD2-NE 2.79Å; D145-R183 IonicContact OD2-NH1 2.88Å; D145-R183 PolarHBondContact OD2-NH1 2.95Å
146T85.1Confident90.9Very high61 Ų6161 Ų6137%0.37433%0.325SS..SBendtrans-89.7123.4-178-53.40000110.2D143 G148 R149 C150D143-T146 PolarHBondContact O-N 2.91Å; T146-G148 PolarHBondContact O-N 2.88Å; T146-R149 PolarHBondContact O-N 3.5Å; T146-C150 PolarHBondContact O-SG 3.47Å; T146-C150 VanDerWaalsContact O-SG 3.35Å
147P85.4Confident91Very high117 Ų11759.8 Ų59.876%0.7632%0.318SS*.THydrogen-bonded Turntrans-51.6132.7176.4-26.634.1000111.8R149P147-R149 VanDerWaalsContact C-N 3.35Å
148G82.5Confident91.1Very high84 Ų8466.6 Ų66.687%0.86634%0.344SS*.THydrogen-bonded Turntrans84.8-4.2-177.600000115.5T146T146-G148 PolarHBondContact O-N 2.88Å
149R85.6Confident91.2Very high96 Ų9666.4 Ų66.436%0.36234%0.343SS..THydrogen-bonded Turntrans-129.34.9178.6-62-176.5-178.4-169.7-7.1114.6F140 D143 T146 P147 F151 Q152F140-R149 VanDerWaalsContact CE2-NH1 3.32Å; D143-R149 HydrophobicContact CB-CB 4.45Å; D143-R149 IonicContact OD2-NH1 2.79Å; T146-R149 PolarHBondContact O-N 3.5Å; P147-R149 VanDerWaalsContact C-N 3.35Å; R149-F151 PolarHBondContact O-N 3.29Å; R149-Q152 VanDerWaalsContact O-CB 3.28Å; R149-Q152 WeakPolarHBondContact O-CB 3.34Å; R149-Q152 PolarHBondContact O-N 3.47Å
150C88.5Confident91.4Very high59 Ų5959.7 Ų59.740%0.39932%0.318SS..THydrogen-bonded Turntrans-54.4-32.6-176.1-54.90000113.9T144 T146T144-C150 WeakPolarHBondContact O-CA 3.4Å; T144-C150 PolarHBondContact O-SG 3.01Å; T146-C150 PolarHBondContact O-SG 3.47Å; T146-C150 VanDerWaalsContact O-SG 3.35Å
151F89.5Confident91.5Very high131 Ų13162 Ų6258%0.57533%0.33SS*.THydrogen-bonded Turntrans-89.1-7.4-177.7-59.3-69.6000114.1R149 K153 Q154 T155R149-F151 PolarHBondContact O-N 3.29Å; F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 2.98Å; F151-Q154 PolarHBondContact O-N 3.18Å; F151-T155 PolarHBondContact O-N 3.3Å; F151-T155 PolarHBondContact O-OG1 3.2Å
152Q91.3Very high91.6Very high23 Ų2365.9 Ų65.911%0.10735%0.348CS..Hα-helixtrans-56.8-43.3-173.8-170.467.459.200112.4G137 R149 T155 I156G137-Q152 WeakPolarHBondContact O-CG 3.22Å; R149-Q152 VanDerWaalsContact O-CB 3.28Å; R149-Q152 WeakPolarHBondContact O-CB 3.34Å; R149-Q152 PolarHBondContact O-N 3.47Å; Q152-T155 PolarHBondContact O-N 2.98Å; Q152-I156 WeakPolarHBondContact O-CG1 3.34Å; Q152-I156 PolarHBondContact O-N 3.1Å
153K94.5Very high91.7Very high74 Ų7464.9 Ų64.932%0.32234%0.344SS..Hα-helixtrans-58.4-52.1176.1-178.7175.7175.369.50111.3Y141 T144 F151 T155 I156 D157Y141-K153 HydrophobicContact CD2-CB 4.39Å; Y141-K153 HydrophobicContact CD2-CG 4.33Å; Y141-K153 HydrophobicContact CE1-CD 4.47Å; Y141-K153 HydrophobicContact CE1-CG 4.16Å; Y141-K153 HydrophobicContact CE2-CB 4.25Å; Y141-K153 HydrophobicContact CE2-CG 3.75Å; Y141-K153 VanDerWaalsContact CZ-NZ 3.31Å; Y141-K153 PolarHBondContact OH-NZ 2.91Å; T144-K153 HydrophobicContact CG2-CB 3.71Å; T144-K153 HydrophobicContact CG2-CD 3.74Å; T144-K153 HydrophobicContact CG2-CG 4.36Å; F151-K153 VanDerWaalsContact C-N 3.3Å; F151-K153 PolarHBondContact O-N 2.98Å; K153-T155 VanDerWaalsContact C-N 3.32Å; K153-T155 PolarHBondContact O-N 2.76Å; K153-I156 PolarHBondContact O-N 3.49Å; K153-D157 IonicContact NZ-OD2 3.98Å; K153-D157 WeakPolarHBondContact O-CB 3.3Å; K153-D157 PolarHBondContact O-N 3.37Å
154Q93.8Very high92Very high121 Ų12168.6 Ų68.657%0.56536%0.36SS*.Hα-helixtrans-61.4-40.4-179.6-174-17915.700112F151 R158F151-Q154 PolarHBondContact O-N 3.18Å; Q154-R158 VanDerWaalsContact O-CB 3.3Å; Q154-R158 WeakPolarHBondContact O-CB 3.38Å; Q154-R158 PolarHBondContact O-N 3.47Å
155T93.5Very high92.4Very high37 Ų3767 Ų6723%0.22735%0.35CS..Hα-helixtrans-63.3-47.7178.3-63.70000111.4E50 V51 F151 Q152 K153 L159E50-T155 HydrophobicContact CB-CG2 4.29Å; E50-T155 WeakPolarHBondContact OE2-CB 3.39Å; E50-T155 WeakPolarHBondContact OE2-CG2 2.91Å; E50-T155 PolarHBondContact OE2-OG1 2.95Å; V51-T155 HydrophobicContact CG1-CG2 4.1Å; F151-T155 PolarHBondContact O-N 3.3Å; F151-T155 PolarHBondContact O-OG1 3.2Å; Q152-T155 PolarHBondContact O-N 2.98Å; K153-T155 VanDerWaalsContact C-N 3.32Å; K153-T155 PolarHBondContact O-N 2.76Å; T155-L159 VanDerWaalsContact O-CB 3.29Å; T155-L159 WeakPolarHBondContact O-CB 3.41Å; T155-L159 PolarHBondContact O-N 3.24Å
156I96.2Very high92.9Very high3 Ų362.3 Ų62.32%0.01533%0.325CS..Hα-helixtrans-66.8-43.4177.8-64.4-65000111.2V51 L134 Y141 Q152 K153 R158 L159 Q160 W174V51-I156 HydrophobicContact CG1-CD1 3.87Å; L134-I156 HydrophobicContact CD2-CD1 4.47Å; Y141-I156 HydrophobicContact CD2-CB 3.89Å; Y141-I156 HydrophobicContact CD2-CG1 4.32Å; Y141-I156 HydrophobicContact CD2-CG2 3.94Å; Y141-I156 HydrophobicContact CE2-CB 4.04Å; Y141-I156 HydrophobicContact CE2-CG2 3.98Å; Q152-I156 WeakPolarHBondContact O-CG1 3.34Å; Q152-I156 PolarHBondContact O-N 3.1Å; K153-I156 PolarHBondContact O-N 3.49Å; I156-R158 PolarHBondContact O-N 3.28Å; I156-L159 WeakPolarHBondContact O-CB 3.45Å; I156-L159 PolarHBondContact O-N 3.38Å; I156-Q160 HydrophobicContact CG2-CG 4.39Å; I156-Q160 WeakPolarHBondContact O-CG 3.48Å; I156-Q160 PolarHBondContact O-N 3.39Å; I156-W174 HydrophobicContact CG2-CH2 4.03Å; I156-W174 HydrophobicContact CG2-CZ2 3.95Å
157D96.8Very high93.5Very high32 Ų3259.4 Ų59.417%0.17131%0.308CS..Hα-helixtrans-59.6-48179.8-72.2-11.5000111Y141 K153 L159 Q160 M161 S212Y141-D157 WeakPolarHBondContact CE2-OD1 3.37Å; Y141-D157 VanDerWaalsContact CZ-OD1 3.25Å; Y141-D157 PolarHBondContact OH-OD1 3.12Å; Y141-D157 PolarHBondContact OH-OD2 2.73Å; K153-D157 IonicContact NZ-OD2 3.98Å; K153-D157 WeakPolarHBondContact O-CB 3.3Å; K153-D157 PolarHBondContact O-N 3.37Å; D157-L159 VanDerWaalsContact C-N 3.32Å; D157-L159 PolarHBondContact O-N 3.42Å; D157-Q160 PolarHBondContact O-N 2.91Å; D157-M161 HydrophobicContact CB-CE 4.19Å; D157-M161 VanDerWaalsContact O-CE 3.22Å; D157-M161 WeakPolarHBondContact O-CE 3.2Å; D157-M161 WeakPolarHBondContact O-CG 3.41Å; D157-M161 PolarHBondContact O-N 3.12Å; D157-M161 VanDerWaalsContact O-N 3.16Å; D157-S212 PolarHBondContact OD1-OG 3.28Å
158R96Very high94Very high143 Ų14354.3 Ų54.354%0.5427%0.274SS..Hα-helixtrans-62.6-40.7177.9-173.3174.8-176.1160.64.6111.8Q154 I156 E162Q154-R158 VanDerWaalsContact O-CB 3.3Å; Q154-R158 WeakPolarHBondContact O-CB 3.38Å; Q154-R158 PolarHBondContact O-N 3.47Å; I156-R158 PolarHBondContact O-N 3.28Å; R158-E162 WeakPolarHBondContact O-CB 3.48Å; R158-E162 PolarHBondContact O-N 3.26Å
159L96Very high94.7Very high4 Ų453.6 Ų53.62%0.02125%0.253CS..Hα-helixtrans-62-47.8179.1-171.1156.2000111.3V51 L134 T155 I156 D157 E162 F163 C250 L254V51-L159 HydrophobicContact CB-CD1 4.36Å; V51-L159 HydrophobicContact CG1-CD1 4.06Å; V51-L159 HydrophobicContact CG2-CD1 3.84Å; L134-L159 HydrophobicContact CD2-CD1 4.23Å; T155-L159 VanDerWaalsContact O-CB 3.29Å; T155-L159 WeakPolarHBondContact O-CB 3.41Å; T155-L159 PolarHBondContact O-N 3.24Å; I156-L159 WeakPolarHBondContact O-CB 3.45Å; I156-L159 PolarHBondContact O-N 3.38Å; D157-L159 VanDerWaalsContact C-N 3.32Å; D157-L159 PolarHBondContact O-N 3.42Å; L159-E162 PolarHBondContact O-N 3.37Å; L159-F163 HydrophobicContact CD2-CD2 4.34Å; L159-F163 HydrophobicContact CG-CD2 4.11Å; L159-F163 WeakPolarHBondContact O-CB 3.01Å; L159-F163 PolarHBondContact O-N 3.23Å; L159-C250 HydrophobicContact CD2-CB 3.66Å; L159-C250 VanDerWaalsContact CD2-SG 3.57Å; L159-L254 HydrophobicContact CD1-CD1 3.87Å; L159-L254 HydrophobicContact CD1-CD2 4.45Å; L159-L254 HydrophobicContact CD2-CD1 4.17Å; L159-L254 HydrophobicContact CG-CD1 4.43Å
160Q97.4Very high95.2Very high2 Ų251.5 Ų51.51%0.00925%0.249CC..Hα-helixtrans-62.2-44.4-179.2-74.8-177.2-28.900112.4I156 D157 Q164 C165 W174 S212 C213I156-Q160 HydrophobicContact CG2-CG 4.39Å; I156-Q160 WeakPolarHBondContact O-CG 3.48Å; I156-Q160 PolarHBondContact O-N 3.39Å; D157-Q160 PolarHBondContact O-N 2.91Å; Q160-Q164 VanDerWaalsContact O-CA 3.3Å; Q160-Q164 WeakPolarHBondContact O-CA 3.24Å; Q160-Q164 PolarHBondContact O-N 3.45Å; Q160-C165 WeakPolarHBondContact CA-O 3.27Å; Q160-C165 VanDerWaalsContact CB-O 3.23Å; Q160-C165 WeakPolarHBondContact CB-O 3.13Å; Q160-C165 WeakPolarHBondContact CG-O 3.32Å; Q160-C165 PolarHBondContact O-N 2.79Å; Q160-W174 VanDerWaalsContact NE2-CZ2 3.29Å; Q160-S212 PolarHBondContact OE1-OG 2.9Å; Q160-C213 VanDerWaalsContact CD-SG 3.56Å; Q160-C213 PolarHBondContact NE2-SG 3.17Å; Q160-C213 VanDerWaalsContact NE2-SG 3.4Å; Q160-C213 PolarHBondContact OE1-SG 3.21Å
161M96.5Very high95.5Very high93 Ų9350.2 Ų50.246%0.45824%0.237SC..Hα-helixtrans-69.2-40.2177.6-67.2-177.2-75.400112.6D157D157-M161 HydrophobicContact CB-CE 4.19Å; D157-M161 VanDerWaalsContact O-CE 3.22Å; D157-M161 WeakPolarHBondContact O-CE 3.2Å; D157-M161 WeakPolarHBondContact O-CG 3.41Å; D157-M161 PolarHBondContact O-N 3.12Å; D157-M161 VanDerWaalsContact O-N 3.16Å
162E95.8Very high95.7Very high83 Ų8349.1 Ų49.139%0.38823%0.232SC..Hα-helixtrans-71.5-39.1-177.7-172.9177.3-174.300112.4R47 R48 R158 L159R47-E162 IonicContact NH2-OE1 2.66Å; R48-E162 IonicContact CZ-OE1 2.83Å; R48-E162 IonicContact CZ-OE2 3.62Å; R48-E162 IonicContact NH1-OE2 3.67Å; R48-E162 PolarHBondContact NH1-OE2 3.19Å; R48-E162 IonicContact NH2-OE1 3.88Å; R48-E162 PolarHBondContact NH2-OE1 3.39Å; R48-E162 IonicContact NH2-OE2 3.48Å; R48-E162 PolarHBondContact NH2-OE2 3.19Å; R158-E162 WeakPolarHBondContact O-CB 3.48Å; R158-E162 PolarHBondContact O-N 3.26Å; L159-E162 PolarHBondContact O-N 3.37Å
163F96Very high95.9Very high31 Ų3149.7 Ų49.714%0.13624%0.235CC..Hα-helixtrans-98.23-179.9-73.7-73.8000114.5R48 L159 C165 A253 L254 Y257R48-F163 VanDerWaalsContact NH1-CE2 3.3Å; L159-F163 HydrophobicContact CD2-CD2 4.34Å; L159-F163 HydrophobicContact CG-CD2 4.11Å; L159-F163 WeakPolarHBondContact O-CB 3.01Å; L159-F163 PolarHBondContact O-N 3.23Å; F163-C165 VanDerWaalsContact C-N 3.31Å; F163-C165 PolarHBondContact O-N 3.02Å; F163-A253 HydrophobicContact CB-CB 4.11Å; F163-L254 HydrophobicContact CD1-CD2 4.44Å; F163-L254 HydrophobicContact CD2-CD2 3.61Å; F163-L254 HydrophobicContact CE1-CD2 4.2Å; F163-L254 HydrophobicContact CE2-CD2 3.24Å; F163-L254 HydrophobicContact CG-CD2 4.18Å; F163-L254 HydrophobicContact CZ-CD2 3.6Å; F163-Y257 AromaticContact CE1-CD1 3.92Å; F163-Y257 HydrophobicContact CE1-CD1 3.92Å; F163-Y257 AromaticContact CE1-CD2 3.85Å; F163-Y257 HydrophobicContact CE1-CD2 3.85Å; F163-Y257 HydrophobicContact CE1-CE2 4.44Å; F163-Y257 AromaticContact CE1-CG 3.56Å; F163-Y257 HydrophobicContact CE1-CG 3.56Å; F163-Y257 AromaticContact CZ-CD1 3.88Å; F163-Y257 HydrophobicContact CZ-CD1 3.88Å; F163-Y257 HydrophobicContact CZ-CD2 4.47Å; F163-Y257 HydrophobicContact CZ-CE1 4.21Å; F163-Y257 HydrophobicContact CZ-CG 4.02Å
164Q96.7Very high96Very high114 Ų11446.2 Ų46.253%0.53322%0.22SC..THydrogen-bonded Turntrans51.952.1178.7-58.8-177.1-34.300111.3Q160 Y246Q160-Q164 VanDerWaalsContact O-CA 3.3Å; Q160-Q164 WeakPolarHBondContact O-CA 3.24Å; Q160-Q164 PolarHBondContact O-N 3.45Å; Q164-Y246 HydrophobicContact CB-CD1 3.71Å; Q164-Y246 HydrophobicContact CB-CE1 3.46Å; Q164-Y246 VanDerWaalsContact CB-CE1 3.46Å; Q164-Y246 HydrophobicContact CB-CE2 4.37Å; Q164-Y246 HydrophobicContact CB-CG 4.28Å; Q164-Y246 HydrophobicContact CG-CE1 3.81Å; Q164-Y246 WeakPolarHBondContact O-CB 3.27Å
165C97.3Very high96.1Very high0 Ų042.3 Ų42.30%020%0.201CC..  trans-136.2159.7-173.667.40000111.3Q160 F163 R248 C250 A253Q160-C165 WeakPolarHBondContact CA-O 3.27Å; Q160-C165 VanDerWaalsContact CB-O 3.23Å; Q160-C165 WeakPolarHBondContact CB-O 3.13Å; Q160-C165 WeakPolarHBondContact CG-O 3.32Å; Q160-C165 PolarHBondContact O-N 2.79Å; F163-C165 VanDerWaalsContact C-N 3.31Å; F163-C165 PolarHBondContact O-N 3.02Å; C165-R248 CarbonylContact C-O 3.54Å; C165-R248 WeakPolarHBondContact CA-O 3.28Å; C165-R248 VanDerWaalsContact CB-O 3.29Å; C165-R248 WeakPolarHBondContact CB-O 3.19Å; C165-C250 HydrophobicContact CB-CB 3.9Å; C165-C250 WeakPolarHBondContact CB-SG 3.38Å; C165-C250 WeakPolarHBondContact SG-CA 3.41Å; C165-C250 WeakPolarHBondContact SG-CB 3.43Å; C165-C250 CovalentContact SG-SG 2.04Å; C165-C250 PolarHBondContact SG-SG 3.12Å; C165-A253 HydrophobicContact CB-CB 3.96Å
166C97.2Very high96Very high0 Ų047.4 Ų47.40%022%0.223CC..  trans-137.9139.4175.4-170.60000111.5D170 F171 C213 Y246 R248C166-D170 CarbonylContact O-C 3.48Å; C166-F171 HydrophobicContact CB-CB 3.97Å; C166-F171 VanDerWaalsContact SG-CB 3.51Å; C166-C213 HydrophobicContact CB-CB 3.7Å; C166-C213 WeakPolarHBondContact CB-SG 3.38Å; C166-C213 WeakPolarHBondContact SG-CB 3.47Å; C166-C213 CovalentContact SG-SG 2.03Å; C166-C213 PolarHBondContact SG-SG 3.13Å; C166-Y246 WeakPolarHBondContact CB-O 3.18Å; C166-R248 PolarHBondContact N-O 3.4Å
167G97Very high95.9Very high1 Ų148.6 Ų48.61%0.0123%0.23CC..SBendtrans66-161.4-178.100000113.6D170 C250G167-D170 WeakPolarHBondContact CA-O 3.1Å; G167-C250 WeakPolarHBondContact O-CB 3.31Å; G167-C250 PolarHBondContact O-N 3.3Å; G167-C250 PolarHBondContact O-SG 3.49Å; G167-C250 VanDerWaalsContact O-SG 3.37Å
168N97Very high95.8Very high9 Ų947.6 Ų47.65%0.04822%0.224CC..SBendtrans-93-62.1178179.6-14.8000110K131 L134 K135 I138 D173 G249 C250 R251K131-N168 PolarHBondContact O-ND2 2.87Å; L134-N168 HydrophobicContact CB-CB 4.17Å; K135-N168 PolarHBondContact N-ND2 2.88Å; I138-N168 HydrophobicContact CD1-CB 4.01Å; N168-D173 VanDerWaalsContact CA-OD2 3.3Å; N168-D173 WeakPolarHBondContact CA-OD2 3.47Å; N168-D173 WeakPolarHBondContact CB-OD2 3.43Å; N168-D173 PolarHBondContact N-OD2 2.91Å; N168-G249 CarbonylContact O-C 3.41Å; N168-C250 PolarHBondContact O-N 3.46Å; N168-R251 WeakPolarHBondContact O-CB 3.36Å; N168-R251 PolarHBondContact O-N 3Å; N168-R251 WeakPolarHBondContact OD1-CB 3.2Å; N168-R251 PolarHBondContact OD1-NH1 2.87Å
169T96.8Very high95.7Very high69 Ų6942.3 Ų42.342%0.42320%0.204SC..SBendtrans-91.8-43.7172.9-48.80000110.8D173 G249 R251T169-D173 PolarHBondContact N-OD2 2.58Å; T169-G249 WeakPolarHBondContact O-CA 3.33Å; T169-G249 PolarHBondContact O-N 3.46Å; T169-R251 PolarHBondContact OG1-NH1 3.2Å
170D94.8Very high95.6Very high52 Ų5244 Ų4428%0.27821%0.213SC..SBendtrans-160.8176.9176.665.461.5000110.9C166 G167 K172 D173C166-D170 CarbonylContact O-C 3.48Å; G167-D170 WeakPolarHBondContact CA-O 3.1Å; D170-K172 PolarHBondContact O-N 3.35Å; D170-K172 WeakPolarHBondContact OD1-CA 3.48Å; D170-K172 WeakPolarHBondContact OD1-CB 3.14Å; D170-K172 WeakPolarHBondContact OD1-CG 3.4Å; D170-K172 PolarHBondContact OD1-N 3.14Å; D170-D173 PolarHBondContact N-OD2 2.92Å; D170-D173 WeakPolarHBondContact O-CB 3.27Å; D170-D173 PolarHBondContact O-N 3.37Å
171F94.7Very high95.3Very high33 Ų3344.9 Ų44.915%0.14522%0.22CC..G310 helixtrans-62.2-22.6-176.569.5-91.8000114.6C166 D173 W174 F175 V209 L227 I245C166-F171 HydrophobicContact CB-CB 3.97Å; C166-F171 VanDerWaalsContact SG-CB 3.51Å; F171-D173 PolarHBondContact O-N 3.35Å; F171-W174 PolarHBondContact O-N 3.4Å; F171-F175 HydrophobicContact CD2-CE1 4.34Å; F171-F175 HydrophobicContact CD2-CE2 4.44Å; F171-F175 AromaticContact CD2-CZ 3.78Å; F171-F175 HydrophobicContact CD2-CZ 3.78Å; F171-F175 HydrophobicContact CE2-CE2 4.16Å; F171-F175 AromaticContact CE2-CZ 3.74Å; F171-F175 HydrophobicContact CE2-CZ 3.74Å; F171-V209 HydrophobicContact CB-CG1 4.1Å; F171-V209 HydrophobicContact CD2-CG1 4.39Å; F171-L227 HydrophobicContact CD2-CD1 4.22Å; F171-L227 HydrophobicContact CE2-CD1 4.44Å; F171-I245 HydrophobicContact CB-CD1 3.86Å; F171-I245 HydrophobicContact CD1-CD1 3.95Å; F171-I245 HydrophobicContact CD2-CD1 3.75Å; F171-I245 HydrophobicContact CE1-CD1 4.43Å; F171-I245 HydrophobicContact CE2-CD1 4.25Å; F171-I245 HydrophobicContact CG-CD1 3.58Å
172K94.8Very high95.1Very high108 Ų10844.5 Ų44.547%0.4722%0.219SC..G310 helixtrans-71.5-15.7-179.7-55.3175.5178.3173.80112.4D170 W174 F175D170-K172 PolarHBondContact O-N 3.35Å; D170-K172 WeakPolarHBondContact OD1-CA 3.48Å; D170-K172 WeakPolarHBondContact OD1-CB 3.14Å; D170-K172 WeakPolarHBondContact OD1-CG 3.4Å; D170-K172 PolarHBondContact OD1-N 3.14Å; K172-W174 PolarHBondContact O-N 2.93Å; K172-W174 VanDerWaalsContact O-N 3.08Å; K172-F175 HydrophobicContact CB-CD2 3.91Å; K172-F175 HydrophobicContact CB-CE2 4.07Å; K172-F175 HydrophobicContact CB-CG 4.49Å; K172-F175 HydrophobicContact CG-CD2 4.14Å; K172-F175 HydrophobicContact CG-CE2 3.8Å; K172-F175 HydrophobicContact CG-CZ 4.46Å; K172-F175 VanDerWaalsContact O-CB 3.31Å; K172-F175 WeakPolarHBondContact O-CB 3.39Å; K172-F175 PolarHBondContact O-N 2.95Å
173D96.1Very high94.8Very high34 Ų3447.5 Ų47.518%0.18223%0.227CC..G310 helixtrans-54.9-27.4171.3-70-45.9000112I138 N168 T169 D170 F171 F175I138-D173 HydrophobicContact CD1-CB 4.48Å; N168-D173 VanDerWaalsContact CA-OD2 3.3Å; N168-D173 WeakPolarHBondContact CA-OD2 3.47Å; N168-D173 WeakPolarHBondContact CB-OD2 3.43Å; N168-D173 PolarHBondContact N-OD2 2.91Å; T169-D173 PolarHBondContact N-OD2 2.58Å; D170-D173 PolarHBondContact N-OD2 2.92Å; D170-D173 WeakPolarHBondContact O-CB 3.27Å; D170-D173 PolarHBondContact O-N 3.37Å; F171-D173 PolarHBondContact O-N 3.35Å; D173-F175 VanDerWaalsContact C-N 3.31Å
174W96.7Very high94.5Very high1 Ų153.2 Ų53.20%0.00425%0.249CC..G310 helixtrans-71.7-22.7175.4-68.5108.8000113.7I138 Y141 I156 Q160 F171 K172 E176 V177 W179 G208 V209 P210I138-W174 HydrophobicContact CB-CH2 4.36Å; I138-W174 HydrophobicContact CB-CZ3 4.45Å; I138-W174 HydrophobicContact CG1-CH2 4.05Å; I138-W174 HydrophobicContact CG1-CZ2 4.03Å; I138-W174 HydrophobicContact CG2-CD2 4.23Å; I138-W174 HydrophobicContact CG2-CE3 3.8Å; I138-W174 HydrophobicContact CG2-CH2 4.05Å; I138-W174 HydrophobicContact CG2-CZ2 4.45Å; I138-W174 HydrophobicContact CG2-CZ3 3.71Å; Y141-W174 HydrophobicContact CD1-CH2 4.12Å; Y141-W174 AromaticContact CD1-CZ3 3.87Å; Y141-W174 HydrophobicContact CD1-CZ3 3.87Å; Y141-W174 AromaticContact CD2-CH2 3.6Å; Y141-W174 HydrophobicContact CD2-CH2 3.6Å; Y141-W174 HydrophobicContact CD2-CZ3 4.16Å; Y141-W174 HydrophobicContact CE1-CH2 4.41Å; Y141-W174 HydrophobicContact CE1-CZ3 4.35Å; Y141-W174 AromaticContact CE2-CH2 3.94Å; Y141-W174 HydrophobicContact CE2-CH2 3.94Å; Y141-W174 AromaticContact CG-CH2 3.68Å; Y141-W174 HydrophobicContact CG-CH2 3.68Å; Y141-W174 AromaticContact CG-CZ3 3.74Å; Y141-W174 HydrophobicContact CG-CZ3 3.74Å; I156-W174 HydrophobicContact CG2-CH2 4.03Å; I156-W174 HydrophobicContact CG2-CZ2 3.95Å; Q160-W174 VanDerWaalsContact NE2-CZ2 3.29Å; F171-W174 PolarHBondContact O-N 3.4Å; K172-W174 PolarHBondContact O-N 2.93Å; K172-W174 VanDerWaalsContact O-N 3.08Å; W174-E176 VanDerWaalsContact C-N 3.26Å; W174-E176 PolarHBondContact O-N 3.02Å; W174-V177 PolarHBondContact O-N 2.94Å; W174-W179 HydrophobicContact CE3-CB 3.61Å; W174-W179 AromaticContact CE3-CD1 3.62Å; W174-W179 HydrophobicContact CE3-CD2 4.3Å; W174-W179 AromaticContact CE3-CG 3.58Å; W174-W179 HydrophobicContact CE3-CG 3.58Å; W174-W179 HydrophobicContact CZ3-CB 3.55Å; W174-W179 AromaticContact CZ3-CG 3.95Å; W174-W179 HydrophobicContact CZ3-CG 3.95Å; W174-G208 WeakPolarHBondContact CB-O 2.97Å; W174-V209 HydrophobicContact CB-CG1 4.2Å; W174-V209 HydrophobicContact CG-CG1 4.31Å; W174-P210 VanDerWaalsContact CD2-CD 3.42Å; W174-P210 HydrophobicContact CD2-CG 3.81Å; W174-P210 HydrophobicContact CE3-CG 3.79Å; W174-P210 HydrophobicContact CH2-CG 3.68Å; W174-P210 HydrophobicContact CZ2-CG 3.69Å; W174-P210 HydrophobicContact CZ3-CG 3.72Å
175F94.4Very high94.3Very high39 Ų3948.7 Ų48.717%0.17123%0.228CC..THydrogen-bonded Turntrans-74.9-24-179-54.6-10.8000111.4F171 K172 D173 D207 V209 L227 T228F171-F175 HydrophobicContact CD2-CE1 4.34Å; F171-F175 HydrophobicContact CD2-CE2 4.44Å; F171-F175 AromaticContact CD2-CZ 3.78Å; F171-F175 HydrophobicContact CD2-CZ 3.78Å; F171-F175 HydrophobicContact CE2-CE2 4.16Å; F171-F175 AromaticContact CE2-CZ 3.74Å; F171-F175 HydrophobicContact CE2-CZ 3.74Å; K172-F175 HydrophobicContact CB-CD2 3.91Å; K172-F175 HydrophobicContact CB-CE2 4.07Å; K172-F175 HydrophobicContact CB-CG 4.49Å; K172-F175 HydrophobicContact CG-CD2 4.14Å; K172-F175 HydrophobicContact CG-CE2 3.8Å; K172-F175 HydrophobicContact CG-CZ 4.46Å; K172-F175 VanDerWaalsContact O-CB 3.31Å; K172-F175 WeakPolarHBondContact O-CB 3.39Å; K172-F175 PolarHBondContact O-N 2.95Å; D173-F175 VanDerWaalsContact C-N 3.31Å; F175-D207 WeakPolarHBondContact CE1-OD1 3.2Å; F175-D207 WeakPolarHBondContact CE2-OD1 3.39Å; F175-D207 WeakPolarHBondContact CZ-OD1 3Å; F175-V209 HydrophobicContact CE1-CG1 4.15Å; F175-L227 HydrophobicContact CE1-CD1 4.06Å; F175-L227 HydrophobicContact CZ-CB 4.42Å; F175-L227 HydrophobicContact CZ-CD1 3.99Å; F175-T228 HydrophobicContact CE2-CG2 3.92Å
176E92.9Very high94.1Very high145 Ų14553 Ų5368%0.67825%0.251SS*.THydrogen-bonded Turntrans-87.3-6.7-179.7-57.6-172.5176.400113W174W174-E176 VanDerWaalsContact C-N 3.26Å; W174-E176 PolarHBondContact O-N 3.02Å
177V93.8Very high93.7Very high27 Ų2757.4 Ų57.416%0.16427%0.27CS..SBendtrans-125.6130.4-174.7179.80000110.3I138 W174 W179 L205I138-V177 HydrophobicContact CG2-CB 4.25Å; I138-V177 HydrophobicContact CG2-CG1 4.36Å; I138-V177 HydrophobicContact CG2-CG2 4.06Å; W174-V177 PolarHBondContact O-N 2.94Å; V177-W179 VanDerWaalsContact C-N 3.34Å; V177-W179 VanDerWaalsContact O-CD1 3.29Å; V177-W179 PolarHBondContact O-N 3.4Å; V177-L205 VanDerWaalsContact C-CD2 3.49Å
178Q93.9Very high93.5Very high12 Ų1261.2 Ų61.26%0.05630%0.297CS..  trans-74.293.4167.1-178.5-172.2-29.600108.9K142 I180 N182 R203 Y204 L205K142-Q178 VanDerWaalsContact CD-O 3.23Å; K142-Q178 WeakPolarHBondContact CD-O 3.38Å; Q178-I180 WeakPolarHBondContact CG-O 3.32Å; Q178-I180 PolarHBondContact NE2-O 2.88Å; Q178-I180 VanDerWaalsContact NE2-O 3.09Å; Q178-N182 PolarHBondContact NE2-OD1 3.49Å; Q178-R203 HydrophobicContact CB-CB 4.25Å; Q178-Y204 WeakPolarHBondContact CG-O 3.19Å; Q178-L205 HydrophobicContact CB-CD2 4.25Å
179W94.3Very high93.4Very high31 Ų3162.7 Ų62.712%0.11731%0.308CS..  trans-93.7-9.3-179.462.6-97.8000113.6Y141 K142 W174 V177 F206 G208 V209 P210Y141-W179 HydrophobicContact CD1-CB 3.91Å; Y141-W179 HydrophobicContact CD1-CE3 4.34Å; Y141-W179 AromaticContact CE1-CE3 3.93Å; Y141-W179 HydrophobicContact CE1-CE3 3.93Å; K142-W179 VanDerWaalsContact CB-O 3.29Å; K142-W179 WeakPolarHBondContact CB-O 3.46Å; W174-W179 HydrophobicContact CE3-CB 3.61Å; W174-W179 AromaticContact CE3-CD1 3.62Å; W174-W179 HydrophobicContact CE3-CD2 4.3Å; W174-W179 AromaticContact CE3-CG 3.58Å; W174-W179 HydrophobicContact CE3-CG 3.58Å; W174-W179 HydrophobicContact CZ3-CB 3.55Å; W174-W179 AromaticContact CZ3-CG 3.95Å; W174-W179 HydrophobicContact CZ3-CG 3.95Å; V177-W179 VanDerWaalsContact C-N 3.34Å; V177-W179 VanDerWaalsContact O-CD1 3.29Å; V177-W179 PolarHBondContact O-N 3.4Å; W179-F206 AromaticContact CE2-CZ 3.84Å; W179-F206 HydrophobicContact CH2-CZ 4.19Å; W179-F206 HydrophobicContact CZ2-CE1 4.09Å; W179-F206 HydrophobicContact CZ2-CE2 4.29Å; W179-F206 AromaticContact CZ2-CZ 3.42Å; W179-F206 HydrophobicContact CZ2-CZ 3.42Å; W179-F206 VanDerWaalsContact CZ2-CZ 3.42Å; W179-F206 AromaticContact NE1-CE1 3.99Å; W179-G208 PolarHBondContact NE1-O 3.38Å; W179-G208 VanDerWaalsContact NE1-O 3.16Å; W179-V209 WeakPolarHBondContact CH2-O 3.36Å; W179-V209 WeakPolarHBondContact CZ2-O 3.43Å; W179-P210 HydrophobicContact CD2-CG 4.09Å; W179-P210 HydrophobicContact CE3-CB 4.49Å; W179-P210 HydrophobicContact CE3-CG 3.97Å; W179-P210 HydrophobicContact CH2-CB 4.47Å; W179-P210 HydrophobicContact CH2-CG 4.41Å; W179-P210 HydrophobicContact CZ3-CB 4.23Å; W179-P210 HydrophobicContact CZ3-CG 4.15Å
180I93.3Very high93.2Very high40 Ų4067 Ų6721%0.20532%0.321CS..SBendtrans-86.7125.1167.8-59.2-178.3000109.2Q178 L185 Y204 F206Q178-I180 WeakPolarHBondContact CG-O 3.32Å; Q178-I180 PolarHBondContact NE2-O 2.88Å; Q178-I180 VanDerWaalsContact NE2-O 3.09Å; I180-L185 HydrophobicContact CB-CD2 4.48Å; I180-L185 HydrophobicContact CG2-CD2 3.8Å; I180-L185 HydrophobicContact CG2-CG 4.08Å; I180-Y204 HydrophobicContact CD1-CE1 4.36Å; I180-F206 HydrophobicContact CD1-CE1 3.47Å; I180-F206 VanDerWaalsContact CD1-CE1 3.47Å; I180-F206 HydrophobicContact CD1-CZ 3.53Å; I180-F206 HydrophobicContact CG1-CE1 4.01Å; I180-F206 HydrophobicContact CG1-CZ 4.28Å
181S91.8Very high93Very high21 Ų2169.9 Ų69.915%0.14733%0.333CS..  trans-67.6144.6177179.80000111.5R183 Y184S181-R183 PolarHBondContact O-N 3.45Å; S181-Y184 PolarHBondContact O-N 3.5Å
182N90.8Very high92.8Very high84 Ų8469 Ų6945%0.44933%0.33SS..G310 helixtrans-53.9-29.2178.4-71.8-8.1000112.5Q178 Y184 L185 F187Q178-N182 PolarHBondContact NE2-OD1 3.49Å; N182-Y184 PolarHBondContact O-N 3.36Å; N182-L185 PolarHBondContact O-N 3.25Å; N182-L185 VanDerWaalsContact O-N 3.13Å; N182-F187 HydrophobicContact CB-CE2 3.94Å; N182-F187 HydrophobicContact CB-CZ 4.08Å; N182-F187 WeakPolarHBondContact O-CE2 3.32Å
183R90Very high92.5Very high147 Ų14768.2 Ų68.256%0.55533%0.327SS*.G310 helixtrans-62.4-23.2177.671.9-177.2-73179.9-1.9114.4D145 S181D145-R183 IonicContact OD1-NH1 3.91Å; D145-R183 PolarHBondContact OD1-NH1 3.31Å; D145-R183 VanDerWaalsContact OD2-CD 3.3Å; D145-R183 WeakPolarHBondContact OD2-CD 3.25Å; D145-R183 IonicContact OD2-CZ 2.86Å; D145-R183 IonicContact OD2-NE 2.79Å; D145-R183 IonicContact OD2-NH1 2.88Å; D145-R183 PolarHBondContact OD2-NH1 2.95Å; S181-R183 PolarHBondContact O-N 3.45Å
184Y90.1Very high92.2Very high150 Ų15070.4 Ų70.459%0.58834%0.339SS*.G310 helixtrans-99.9-0.5-179.7-56.7-64.3000112.2S181 N182S181-Y184 PolarHBondContact O-N 3.5Å; N182-Y184 PolarHBondContact O-N 3.36Å
185L91.8Very high91.9Very high20 Ų2073.9 Ų73.911%0.10535%0.352CS..SBendtrans-98.5123.5178.7-63.7178.4000109.6I180 N182 F187 V192 Y204I180-L185 HydrophobicContact CB-CD2 4.48Å; I180-L185 HydrophobicContact CG2-CD2 3.8Å; I180-L185 HydrophobicContact CG2-CG 4.08Å; N182-L185 PolarHBondContact O-N 3.25Å; N182-L185 VanDerWaalsContact O-N 3.13Å; L185-F187 HydrophobicContact CB-CD2 4.37Å; L185-F187 HydrophobicContact CB-CE2 3.91Å; L185-F187 HydrophobicContact CB-CZ 4.09Å; L185-F187 HydrophobicContact CD1-CZ 4.18Å; L185-F187 WeakPolarHBondContact O-CD2 3.44Å; L185-F187 PolarHBondContact O-N 3.04Å; L185-F187 VanDerWaalsContact O-N 3.11Å; L185-V192 HydrophobicContact CB-CG1 4.17Å; L185-Y204 HydrophobicContact CD1-CD1 4.17Å; L185-Y204 HydrophobicContact CD1-CD2 4.34Å; L185-Y204 HydrophobicContact CD1-CG 3.78Å; L185-Y204 HydrophobicContact CD2-CD1 3.77Å; L185-Y204 HydrophobicContact CD2-CD2 4.28Å; L185-Y204 HydrophobicContact CD2-CE1 3.88Å; L185-Y204 HydrophobicContact CD2-CE2 4.37Å; L185-Y204 HydrophobicContact CD2-CG 3.98Å
186D93Very high91.6Very high91 Ų9173.3 Ų73.349%0.48735%0.351SS..  trans-7993171.2179.111.6000110S188 S189 V192D186-S188 VanDerWaalsContact CG-OG 3.22Å; D186-S188 PolarHBondContact O-N 2.94Å; D186-S188 VanDerWaalsContact O-N 3.13Å; D186-S188 WeakPolarHBondContact OD1-CA 3.26Å; D186-S188 WeakPolarHBondContact OD1-CB 3.32Å; D186-S188 PolarHBondContact OD1-N 3Å; D186-S188 PolarHBondContact OD1-OG 3.45Å; D186-S188 PolarHBondContact OD2-OG 2.9Å; D186-S188 VanDerWaalsContact OD2-OG 3.08Å; D186-S189 WeakPolarHBondContact O-CB 3.17Å; D186-S189 PolarHBondContact O-N 3.27Å; D186-S189 VanDerWaalsContact O-N 3.15Å; D186-V192 WeakPolarHBondContact O-CB 3.29Å; D186-V192 WeakPolarHBondContact O-CG2 3.36Å
187F90.6Very high91.4Very high91 Ų9174.3 Ų74.340%0.39935%0.353SS..THydrogen-bonded Turntrans-69.71.8175.2-67.7-80.7000113.8N182 L185 V192 K193 V196N182-F187 HydrophobicContact CB-CE2 3.94Å; N182-F187 HydrophobicContact CB-CZ 4.08Å; N182-F187 WeakPolarHBondContact O-CE2 3.32Å; L185-F187 HydrophobicContact CB-CD2 4.37Å; L185-F187 HydrophobicContact CB-CE2 3.91Å; L185-F187 HydrophobicContact CB-CZ 4.09Å; L185-F187 HydrophobicContact CD1-CZ 4.18Å; L185-F187 WeakPolarHBondContact O-CD2 3.44Å; L185-F187 PolarHBondContact O-N 3.04Å; L185-F187 VanDerWaalsContact O-N 3.11Å; F187-V192 HydrophobicContact CD1-CG1 4.33Å; F187-K193 WeakPolarHBondContact O-CE 3.27Å; F187-V196 HydrophobicContact CE1-CG2 4.23Å
188S92.3Very high91Very high82 Ų8277.4 Ų77.457%0.57338%0.377SS*.THydrogen-bonded Turntrans-83.5-31.3168.3810000111.7D186 K193D186-S188 VanDerWaalsContact CG-OG 3.22Å; D186-S188 PolarHBondContact O-N 2.94Å; D186-S188 VanDerWaalsContact O-N 3.13Å; D186-S188 WeakPolarHBondContact OD1-CA 3.26Å; D186-S188 WeakPolarHBondContact OD1-CB 3.32Å; D186-S188 PolarHBondContact OD1-N 3Å; D186-S188 PolarHBondContact OD1-OG 3.45Å; D186-S188 PolarHBondContact OD2-OG 2.9Å; D186-S188 VanDerWaalsContact OD2-OG 3.08Å; S188-K193 WeakPolarHBondContact O-CE 3.22Å; S188-K193 PolarHBondContact O-NZ 3.17Å
189S94.3Very high90.6Very high40 Ų4079.1 Ų79.128%0.2839%0.386SS..SBendtrans-61.2133.2179.2175.50000112.2D186 E191 V192 K193D186-S189 WeakPolarHBondContact O-CB 3.17Å; D186-S189 PolarHBondContact O-N 3.27Å; D186-S189 VanDerWaalsContact O-N 3.15Å; S189-E191 VanDerWaalsContact C-N 3.28Å; S189-E191 PolarHBondContact O-N 3.46Å; S189-E191 PolarHBondContact OG-N 2.97Å; S189-V192 PolarHBondContact O-N 3.26Å; S189-K193 WeakPolarHBondContact O-CG 3.45Å; S189-K193 PolarHBondContact O-N 3.04Å; S189-K193 VanDerWaalsContact O-N 3.13Å
190K92.8Very high89.8Confident158 Ų15882.8 Ų82.869%0.68741%0.411SS*.Hα-helixtrans-60.4-40.2175.8-175.7178.9176.4-173.40111.3V192 K193 D194K190-V192 PolarHBondContact O-N 2.8Å; K190-K193 PolarHBondContact O-N 3.18Å; K190-D194 WeakPolarHBondContact CE-OD2 3.13Å; K190-D194 WeakPolarHBondContact CG-OD2 3.42Å; K190-D194 VanDerWaalsContact O-CB 3.32Å; K190-D194 WeakPolarHBondContact O-CB 3.29Å; K190-D194 PolarHBondContact O-N 3.37Å
191E89.6Confident89.2Confident113 Ų11386.7 Ų86.753%0.52843%0.433SS..Hα-helixtrans-63.3-45-178.1-172-176171.300112.1S189 D194 R195S189-E191 VanDerWaalsContact C-N 3.28Å; S189-E191 PolarHBondContact O-N 3.46Å; S189-E191 PolarHBondContact OG-N 2.97Å; E191-D194 PolarHBondContact O-N 2.84Å; E191-R195 WeakPolarHBondContact O-CB 3.48Å; E191-R195 PolarHBondContact O-N 3.4Å; E191-R195 IonicContact OE1-CZ 2.87Å; E191-R195 IonicContact OE1-NH1 2.82Å; E191-R195 PolarHBondContact OE1-NH1 3.04Å; E191-R195 IonicContact OE1-NH2 3.69Å; E191-R195 PolarHBondContact OE1-NH2 3.2Å
192V90.5Very high88.7Confident15 Ų1587.9 Ų87.99%0.09145%0.449CS..Hα-helixtrans-65-44.9178.2177.10000110.3L185 D186 F187 S189 K190 R195 V196 Y204L185-V192 HydrophobicContact CB-CG1 4.17Å; D186-V192 WeakPolarHBondContact O-CB 3.29Å; D186-V192 WeakPolarHBondContact O-CG2 3.36Å; F187-V192 HydrophobicContact CD1-CG1 4.33Å; S189-V192 PolarHBondContact O-N 3.26Å; K190-V192 PolarHBondContact O-N 2.8Å; V192-R195 PolarHBondContact O-N 3.32Å; V192-V196 HydrophobicContact CG1-CG2 4.37Å; V192-V196 WeakPolarHBondContact O-CB 3.14Å; V192-V196 VanDerWaalsContact O-CG2 3.27Å; V192-V196 WeakPolarHBondContact O-CG2 3.47Å; V192-V196 PolarHBondContact O-N 2.87Å; V192-Y204 HydrophobicContact CG1-CD2 4.2Å; V192-Y204 HydrophobicContact CG1-CE2 4.29Å; V192-Y204 HydrophobicContact CG2-CE2 4.38Å
193K90.6Very high88.5Confident92 Ų9288.3 Ų88.340%0.444%0.444SS..Hα-helixtrans-59.6-48.2176.4-72.9177-171.4171.80112F187 S188 S189 K190 R195 V196 K197F187-K193 WeakPolarHBondContact O-CE 3.27Å; S188-K193 WeakPolarHBondContact O-CE 3.22Å; S188-K193 PolarHBondContact O-NZ 3.17Å; S189-K193 WeakPolarHBondContact O-CG 3.45Å; S189-K193 PolarHBondContact O-N 3.04Å; S189-K193 VanDerWaalsContact O-N 3.13Å; K190-K193 PolarHBondContact O-N 3.18Å; K193-R195 VanDerWaalsContact C-N 3.3Å; K193-R195 PolarHBondContact O-N 3.2Å; K193-V196 PolarHBondContact O-N 2.62Å; K193-K197 WeakPolarHBondContact O-CB 3.22Å; K193-K197 VanDerWaalsContact O-CG 3.23Å; K193-K197 WeakPolarHBondContact O-CG 3.27Å; K193-K197 PolarHBondContact O-N 3.31Å
194D89.8Confident88.5Confident80 Ų8082.6 Ų82.643%0.42842%0.423SS..Hα-helixtrans-62.6-41.9-178.1-71.3-9.6000109.9K190 E191 K197 S198K190-D194 WeakPolarHBondContact CE-OD2 3.13Å; K190-D194 WeakPolarHBondContact CG-OD2 3.42Å; K190-D194 VanDerWaalsContact O-CB 3.32Å; K190-D194 WeakPolarHBondContact O-CB 3.29Å; K190-D194 PolarHBondContact O-N 3.37Å; E191-D194 PolarHBondContact O-N 2.84Å; D194-K197 PolarHBondContact O-N 3.42Å; D194-S198 VanDerWaalsContact O-CB 3.29Å; D194-S198 WeakPolarHBondContact O-CB 3.49Å; D194-S198 PolarHBondContact O-N 3.08Å; D194-S198 PolarHBondContact O-OG 3.3Å
195R88.7Confident88.6Confident73 Ų7377 Ų7728%0.27540%0.402SS..Hα-helixtrans-68.2-41.6178.1-166.5154.9-59.7125.77.1114E191 V192 K193 K197 S198 N199 Y204 L205E191-R195 WeakPolarHBondContact O-CB 3.48Å; E191-R195 PolarHBondContact O-N 3.4Å; E191-R195 IonicContact OE1-CZ 2.87Å; E191-R195 IonicContact OE1-NH1 2.82Å; E191-R195 PolarHBondContact OE1-NH1 3.04Å; E191-R195 IonicContact OE1-NH2 3.69Å; E191-R195 PolarHBondContact OE1-NH2 3.2Å; V192-R195 PolarHBondContact O-N 3.32Å; K193-R195 VanDerWaalsContact C-N 3.3Å; K193-R195 PolarHBondContact O-N 3.2Å; R195-K197 VanDerWaalsContact C-N 3.29Å; R195-K197 PolarHBondContact O-N 3.12Å; R195-S198 WeakPolarHBondContact CA-OG 3.21Å; R195-S198 PolarHBondContact O-N 3.21Å; R195-S198 PolarHBondContact O-OG 3.46Å; R195-N199 WeakPolarHBondContact CG-ND2 3.3Å; R195-N199 WeakPolarHBondContact O-CB 3.33Å; R195-N199 PolarHBondContact O-N 3.41Å; R195-N199 PolarHBondContact O-ND2 3.35Å; R195-Y204 HydrophobicContact CB-CD2 4.17Å; R195-Y204 HydrophobicContact CB-CE2 4Å; R195-Y204 HydrophobicContact CG-CD2 4.12Å; R195-Y204 HydrophobicContact CG-CE2 4Å; R195-Y204 PolarHBondContact NH1-OH 2.95Å; R195-L205 WeakPolarHBondContact CD-O 3.23Å
196V89.6Confident88.6Confident28 Ų2878.1 Ų78.117%0.1741%0.406CS..Hα-helixtrans-63.1-40175.2167.70000110.5F187 V192 K193 G202 Y204F187-V196 HydrophobicContact CE1-CG2 4.23Å; V192-V196 HydrophobicContact CG1-CG2 4.37Å; V192-V196 WeakPolarHBondContact O-CB 3.14Å; V192-V196 VanDerWaalsContact O-CG2 3.27Å; V192-V196 WeakPolarHBondContact O-CG2 3.47Å; V192-V196 PolarHBondContact O-N 2.87Å; K193-V196 PolarHBondContact O-N 2.62Å; V196-G202 WeakPolarHBondContact CG1-O 3.4Å; V196-G202 WeakPolarHBondContact O-CA 3.35Å; V196-Y204 HydrophobicContact CG2-CD2 4.06Å
197K87.6Confident88.6Confident165 Ų16575.3 Ų75.372%0.71739%0.391SS*.Hα-helixtrans-73.7-33.4179.4-73175.6179.9-176.10113.6K193 D194 R195K193-K197 WeakPolarHBondContact O-CB 3.22Å; K193-K197 VanDerWaalsContact O-CG 3.23Å; K193-K197 WeakPolarHBondContact O-CG 3.27Å; K193-K197 PolarHBondContact O-N 3.31Å; D194-K197 PolarHBondContact O-N 3.42Å; R195-K197 VanDerWaalsContact C-N 3.29Å; R195-K197 PolarHBondContact O-N 3.12Å
198S85.1Confident88.8Confident93 Ų9371 Ų7165%0.6537%0.372SS*.Hα-helixtrans-78.8-21.7-17766.20000113.5D194 R195D194-S198 VanDerWaalsContact O-CB 3.29Å; D194-S198 WeakPolarHBondContact O-CB 3.49Å; D194-S198 PolarHBondContact O-N 3.08Å; D194-S198 PolarHBondContact O-OG 3.3Å; R195-S198 WeakPolarHBondContact CA-OG 3.21Å; R195-S198 PolarHBondContact O-N 3.21Å; R195-S198 PolarHBondContact O-OG 3.46Å
199N85.9Confident89Confident48 Ų4867 Ų6726%0.25735%0.345SS..SBendtrans-92.5160.4-175.5-80-47.2000112.9R195 R203 L205R195-N199 WeakPolarHBondContact CG-ND2 3.3Å; R195-N199 WeakPolarHBondContact O-CB 3.33Å; R195-N199 PolarHBondContact O-N 3.41Å; R195-N199 PolarHBondContact O-ND2 3.35Å; N199-R203 WeakPolarHBondContact CB-O 3.44Å; N199-L205 HydrophobicContact CB-CB 4.46Å; N199-L205 PolarHBondContact ND2-N 2.88Å; N199-L205 PolarHBondContact ND2-O 3.07Å
200V77.7Confident89.1Confident107 Ų10765.2 Ų65.265%0.64833%0.332SS*.G310 helixtrans-63.4142.1179-169.50000110.5G202 R203V200-G202 PolarHBondContact O-N 3.36Å; V200-G202 VanDerWaalsContact O-N 3.11Å; V200-R203 PolarHBondContact O-N 2.92Å
201D80.2Confident89.2Confident123 Ų12364.1 Ų64.166%0.65833%0.328SS*.G310 helixtrans5818.6178.9-61.9-16.6000115.6R203D201-R203 VanDerWaalsContact C-N 3.27Å; D201-R203 HydrophobicContact CB-CG 4.06Å; D201-R203 PolarHBondContact O-N 3.46Å; D201-R203 IonicContact OD2-CZ 3.43Å; D201-R203 IonicContact OD2-NE 3.02Å; D201-R203 IonicContact OD2-NH2 3.17Å; D201-R203 PolarHBondContact OD2-NH2 3.39Å
202G81.1Confident89.6Confident46 Ų4658.9 Ų58.947%0.47430%0.303SS..G310 helixtrans64.931.8-178.600000113.1V196 V200V196-G202 WeakPolarHBondContact CG1-O 3.4Å; V196-G202 WeakPolarHBondContact O-CA 3.35Å; V200-G202 PolarHBondContact O-N 3.36Å; V200-G202 VanDerWaalsContact O-N 3.11Å
203R87.3Confident89.9Confident92 Ų9258.1 Ų58.135%0.34730%0.299SS..  trans-97.3147.6-178.7-62.5-175.8-161.3179.913.1111.6Q178 N199 V200 D201 L205Q178-R203 HydrophobicContact CB-CB 4.25Å; N199-R203 WeakPolarHBondContact CB-O 3.44Å; V200-R203 PolarHBondContact O-N 2.92Å; D201-R203 VanDerWaalsContact C-N 3.27Å; D201-R203 HydrophobicContact CB-CG 4.06Å; D201-R203 PolarHBondContact O-N 3.46Å; D201-R203 IonicContact OD2-CZ 3.43Å; D201-R203 IonicContact OD2-NE 3.02Å; D201-R203 IonicContact OD2-NH2 3.17Å; D201-R203 PolarHBondContact OD2-NH2 3.39Å; R203-L205 HydrophobicContact CB-CD2 4.14Å; R203-L205 HydrophobicContact CB-CG 4.04Å; R203-L205 PolarHBondContact O-N 3.34Å
204Y90.2Very high90.1Very high28 Ų2854.4 Ų54.411%0.1128%0.284CS..  trans-80.384.3169.7-171.9-96.3000110Q178 I180 L185 V192 R195 V196 F206Q178-Y204 WeakPolarHBondContact CG-O 3.19Å; I180-Y204 HydrophobicContact CD1-CE1 4.36Å; L185-Y204 HydrophobicContact CD1-CD1 4.17Å; L185-Y204 HydrophobicContact CD1-CD2 4.34Å; L185-Y204 HydrophobicContact CD1-CG 3.78Å; L185-Y204 HydrophobicContact CD2-CD1 3.77Å; L185-Y204 HydrophobicContact CD2-CD2 4.28Å; L185-Y204 HydrophobicContact CD2-CE1 3.88Å; L185-Y204 HydrophobicContact CD2-CE2 4.37Å; L185-Y204 HydrophobicContact CD2-CG 3.98Å; V192-Y204 HydrophobicContact CG1-CD2 4.2Å; V192-Y204 HydrophobicContact CG1-CE2 4.29Å; V192-Y204 HydrophobicContact CG2-CE2 4.38Å; R195-Y204 HydrophobicContact CB-CD2 4.17Å; R195-Y204 HydrophobicContact CB-CE2 4Å; R195-Y204 HydrophobicContact CG-CD2 4.12Å; R195-Y204 HydrophobicContact CG-CE2 4Å; R195-Y204 PolarHBondContact NH1-OH 2.95Å; V196-Y204 HydrophobicContact CG2-CD2 4.06Å; Y204-F206 AromaticContact CD1-CD1 3.83Å; Y204-F206 HydrophobicContact CD1-CD1 3.83Å; Y204-F206 HydrophobicContact CD1-CE1 4.18Å; Y204-F206 AromaticContact CE1-CD1 3.47Å; Y204-F206 HydrophobicContact CE1-CD1 3.47Å; Y204-F206 VanDerWaalsContact CE1-CD1 3.47Å; Y204-F206 AromaticContact CE1-CE1 3.83Å; Y204-F206 HydrophobicContact CE1-CE1 3.83Å; Y204-F206 HydrophobicContact CE1-CG 4.17Å
205L92.1Very high90.4Very high31 Ų3151.6 Ų51.616%0.16227%0.269CS..  trans-97.8139.2173.9-55.8-178.7000109.9V177 Q178 R195 N199 R203V177-L205 VanDerWaalsContact C-CD2 3.49Å; Q178-L205 HydrophobicContact CB-CD2 4.25Å; R195-L205 WeakPolarHBondContact CD-O 3.23Å; N199-L205 HydrophobicContact CB-CB 4.46Å; N199-L205 PolarHBondContact ND2-N 2.88Å; N199-L205 PolarHBondContact ND2-O 3.07Å; R203-L205 HydrophobicContact CB-CD2 4.14Å; R203-L205 HydrophobicContact CB-CG 4.04Å; R203-L205 PolarHBondContact O-N 3.34Å
206F91.8Very high90.6Very high44 Ų4453.3 Ų53.319%0.19329%0.29CS..  trans-154.5161.1176.371-75000110.3W179 I180 Y204 G208 D225W179-F206 AromaticContact CE2-CZ 3.84Å; W179-F206 HydrophobicContact CH2-CZ 4.19Å; W179-F206 HydrophobicContact CZ2-CE1 4.09Å; W179-F206 HydrophobicContact CZ2-CE2 4.29Å; W179-F206 AromaticContact CZ2-CZ 3.42Å; W179-F206 HydrophobicContact CZ2-CZ 3.42Å; W179-F206 VanDerWaalsContact CZ2-CZ 3.42Å; W179-F206 AromaticContact NE1-CE1 3.99Å; I180-F206 HydrophobicContact CD1-CE1 3.47Å; I180-F206 VanDerWaalsContact CD1-CE1 3.47Å; I180-F206 HydrophobicContact CD1-CZ 3.53Å; I180-F206 HydrophobicContact CG1-CE1 4.01Å; I180-F206 HydrophobicContact CG1-CZ 4.28Å; Y204-F206 AromaticContact CD1-CD1 3.83Å; Y204-F206 HydrophobicContact CD1-CD1 3.83Å; Y204-F206 HydrophobicContact CD1-CE1 4.18Å; Y204-F206 AromaticContact CE1-CD1 3.47Å; Y204-F206 HydrophobicContact CE1-CD1 3.47Å; Y204-F206 VanDerWaalsContact CE1-CD1 3.47Å; Y204-F206 AromaticContact CE1-CE1 3.83Å; Y204-F206 HydrophobicContact CE1-CE1 3.83Å; Y204-F206 HydrophobicContact CE1-CG 4.17Å; F206-G208 VanDerWaalsContact C-N 3.32Å; F206-G208 PolarHBondContact O-N 3.34Å; F206-D225 HydrophobicContact CE2-CB 4.48Å
207D92.3Very high90.6Very high32 Ų3256.3 Ų56.317%0.17131%0.312CS..SBendtrans-70.888.4171.5175.57.3000109F175 D225 R226 L227 T228F175-D207 WeakPolarHBondContact CE1-OD1 3.2Å; F175-D207 WeakPolarHBondContact CE2-OD1 3.39Å; F175-D207 WeakPolarHBondContact CZ-OD1 3Å; D207-D225 CarbonylContact O-C 3.45Å; D207-D225 WeakPolarHBondContact O-CA 3.37Å; D207-R226 PolarHBondContact O-N 3.06Å; D207-R226 WeakPolarHBondContact OD2-CA 3.36Å; D207-L227 VanDerWaalsContact CG-N 3.25Å; D207-L227 WeakPolarHBondContact OD1-CB 3.36Å; D207-L227 PolarHBondContact OD1-N 3.46Å; D207-L227 VanDerWaalsContact OD1-N 3.1Å; D207-L227 PolarHBondContact OD2-N 2.95Å; D207-T228 WeakPolarHBondContact OD2-CA 3.46Å; D207-T228 WeakPolarHBondContact OD2-CB 3.33Å; D207-T228 PolarHBondContact OD2-N 3.06Å; D207-T228 PolarHBondContact OD2-OG1 2.88Å
208G94.5Very high90.8Very high0 Ų049.3 Ų49.30%028%0.284CS..BIsolated β-bridgetrans-172.9163.2173.300000115.4W174 W179 F206 Q224W174-G208 WeakPolarHBondContact CB-O 2.97Å; W179-G208 PolarHBondContact NE1-O 3.38Å; W179-G208 VanDerWaalsContact NE1-O 3.16Å; F206-G208 VanDerWaalsContact C-N 3.32Å; F206-G208 PolarHBondContact O-N 3.34Å; G208-Q224 CarbonylContact C-O 3.58Å; G208-Q224 WeakPolarHBondContact CA-O 3.49Å
209V96.6Very high90.9Very high0 Ų050.6 Ų50.60%029%0.29CS..  trans-127.8157.6-173.1-590000111.2F171 W174 F175 W179 C213 Q224 L227 I245F171-V209 HydrophobicContact CB-CG1 4.1Å; F171-V209 HydrophobicContact CD2-CG1 4.39Å; W174-V209 HydrophobicContact CB-CG1 4.2Å; W174-V209 HydrophobicContact CG-CG1 4.31Å; F175-V209 HydrophobicContact CE1-CG1 4.15Å; W179-V209 WeakPolarHBondContact CH2-O 3.36Å; W179-V209 WeakPolarHBondContact CZ2-O 3.43Å; V209-C213 HydrophobicContact CB-CB 4.14Å; V209-C213 HydrophobicContact CG2-CB 3.9Å; V209-Q224 PolarHBondContact N-O 2.97Å; V209-L227 HydrophobicContact CB-CD1 4.46Å; V209-L227 HydrophobicContact CG1-CD1 3.72Å; V209-L227 HydrophobicContact CG2-CD1 4.05Å; V209-I245 HydrophobicContact CG2-CG2 4.2Å
210P96.9Very high91Very high1 Ų151 Ų511%0.00629%0.288CS..  trans-65.7155.2170.4-18.631.3000112.8Y141 W174 W179 S212 C213Y141-P210 HydrophobicContact CE1-CB 4.26Å; Y141-P210 HydrophobicContact CE1-CG 3.95Å; Y141-P210 WeakPolarHBondContact OH-CB 3.4Å; W174-P210 VanDerWaalsContact CD2-CD 3.42Å; W174-P210 HydrophobicContact CD2-CG 3.81Å; W174-P210 HydrophobicContact CE3-CG 3.79Å; W174-P210 HydrophobicContact CH2-CG 3.68Å; W174-P210 HydrophobicContact CZ2-CG 3.69Å; W174-P210 HydrophobicContact CZ3-CG 3.72Å; W179-P210 HydrophobicContact CD2-CG 4.09Å; W179-P210 HydrophobicContact CE3-CB 4.49Å; W179-P210 HydrophobicContact CE3-CG 3.97Å; W179-P210 HydrophobicContact CH2-CB 4.47Å; W179-P210 HydrophobicContact CH2-CG 4.41Å; W179-P210 HydrophobicContact CZ3-CB 4.23Å; W179-P210 HydrophobicContact CZ3-CG 4.15Å; P210-S212 PolarHBondContact O-N 2.63Å; P210-S212 VanDerWaalsContact O-N 3.11Å; P210-C213 WeakPolarHBondContact O-CB 3.27Å; P210-C213 PolarHBondContact O-N 3.41Å
211F95.7Very high91.6Very high136 Ų13651.3 Ų51.360%0.59629%0.292SS*.G310 helixtrans-53.6-30.9176.5170.2-99000114.2C213 C214F211-C213 PolarHBondContact O-N 3.22Å; F211-C213 VanDerWaalsContact O-N 3.14Å; F211-C214 HydrophobicContact CD2-CB 4.45Å; F211-C214 HydrophobicContact CE2-CB 4.5Å; F211-C214 WeakPolarHBondContact O-CB 3.39Å; F211-C214 PolarHBondContact O-N 3.4Å; F211-C214 PolarHBondContact O-SG 3.21Å
212S97.1Very high92.2Very high2 Ų247.4 Ų47.41%0.01427%0.274CS..G310 helixtrans-63.7-16178.347.50000114.5D157 Q160 P210 C214D157-S212 PolarHBondContact OD1-OG 3.28Å; Q160-S212 PolarHBondContact OE1-OG 2.9Å; P210-S212 PolarHBondContact O-N 2.63Å; P210-S212 VanDerWaalsContact O-N 3.11Å; S212-C214 VanDerWaalsContact C-N 3.32Å
213C96.9Very high92.8Very high0 Ų046 Ų460%026%0.255CS..G310 helixtrans-80.8-10.7172.4-71.70000113.8Q160 C166 V209 P210 F211 I245 Y246Q160-C213 VanDerWaalsContact CD-SG 3.56Å; Q160-C213 PolarHBondContact NE2-SG 3.17Å; Q160-C213 VanDerWaalsContact NE2-SG 3.4Å; Q160-C213 PolarHBondContact OE1-SG 3.21Å; C166-C213 HydrophobicContact CB-CB 3.7Å; C166-C213 WeakPolarHBondContact CB-SG 3.38Å; C166-C213 WeakPolarHBondContact SG-CB 3.47Å; C166-C213 CovalentContact SG-SG 2.03Å; C166-C213 PolarHBondContact SG-SG 3.13Å; V209-C213 HydrophobicContact CB-CB 4.14Å; V209-C213 HydrophobicContact CG2-CB 3.9Å; P210-C213 WeakPolarHBondContact O-CB 3.27Å; P210-C213 PolarHBondContact O-N 3.41Å; F211-C213 PolarHBondContact O-N 3.22Å; F211-C213 VanDerWaalsContact O-N 3.14Å; C213-I245 CarbonylContact O-C 3.56Å; C213-I245 VanDerWaalsContact O-CA 3.27Å; C213-I245 WeakPolarHBondContact O-CA 3.33Å; C213-I245 WeakPolarHBondContact O-CB 3.29Å; C213-Y246 WeakPolarHBondContact O-CD2 3.15Å; C213-Y246 PolarHBondContact O-N 3.17Å
214C95.9Very high93.2Very high13 Ų1344.5 Ų44.59%0.08825%0.252CS..BIsolated β-bridgetrans-65.4136.1-179.2-64.90000111.5F211 S212 C222 Y246F211-C214 HydrophobicContact CD2-CB 4.45Å; F211-C214 HydrophobicContact CE2-CB 4.5Å; F211-C214 WeakPolarHBondContact O-CB 3.39Å; F211-C214 PolarHBondContact O-N 3.4Å; F211-C214 PolarHBondContact O-SG 3.21Å; S212-C214 VanDerWaalsContact C-N 3.32Å; C214-C222 VanDerWaalsContact CA-SG 3.59Å; C214-C222 HydrophobicContact CB-CB 3.59Å; C214-C222 WeakPolarHBondContact CB-SG 3.24Å; C214-C222 WeakPolarHBondContact SG-CB 3.28Å; C214-C222 CovalentContact SG-SG 2Å; C214-C222 PolarHBondContact SG-SG 3.31Å; C214-Y246 WeakPolarHBondContact O-CE2 3.16Å
215N95.1Very high93.3Very high22 Ų2245.8 Ų45.812%0.11826%0.261CS..  trans-92.2115.4174.2177.68.1000110.1S217 S218 L243 N244 Y246N215-S217 PolarHBondContact O-N 3.12Å; N215-S217 WeakPolarHBondContact OD1-CB 3.44Å; N215-S217 PolarHBondContact OD1-N 2.83Å; N215-S217 VanDerWaalsContact OD1-N 3.08Å; N215-S218 VanDerWaalsContact O-CB 3.28Å; N215-S218 WeakPolarHBondContact O-CB 3.47Å; N215-S218 PolarHBondContact O-N 3.3Å; N215-S218 VanDerWaalsContact O-N 3.12Å; N215-L243 VanDerWaalsContact CB-O 3.26Å; N215-L243 WeakPolarHBondContact CB-O 3.43Å; N215-L243 PolarHBondContact ND2-O 3.49Å; N215-N244 PolarHBondContact N-O 3Å; N215-Y246 HydrophobicContact CB-CD1 4.06Å; N215-Y246 HydrophobicContact CB-CE1 3.78Å
216P92.4Very high93.3Very high109 Ų10950.9 Ų50.971%0.70828%0.278SS*.THydrogen-bonded Turntrans-69.5-15.3-177.230.3-35.4000113.2S218 Y246P216-S218 PolarHBondContact O-N 2.95Å; P216-Y246 WeakPolarHBondContact CD-OH 3.37Å
217S91.1Very high93.3Very high91 Ų9149 Ų4964%0.63627%0.27SS*.THydrogen-bonded Turntrans-78.5-4.2175.1-55.40000112.9N215N215-S217 PolarHBondContact O-N 3.12Å; N215-S217 WeakPolarHBondContact OD1-CB 3.44Å; N215-S217 PolarHBondContact OD1-N 2.83Å; N215-S217 VanDerWaalsContact OD1-N 3.08Å
218S90.4Very high93.2Very high18 Ų1850.8 Ų50.813%0.12628%0.283CS..  trans-66.4135.6178.6-163.90000111.3N215 P216 R220 L243N215-S218 VanDerWaalsContact O-CB 3.28Å; N215-S218 WeakPolarHBondContact O-CB 3.47Å; N215-S218 PolarHBondContact O-N 3.3Å; N215-S218 VanDerWaalsContact O-N 3.12Å; P216-S218 PolarHBondContact O-N 2.95Å; S218-R220 PolarHBondContact O-N 3.4Å; S218-R220 WeakPolarHBondContact OG-CG 3.28Å; S218-L243 WeakPolarHBondContact CB-O 3.21Å; S218-L243 PolarHBondContact OG-O 3.44Å
219P88.1Confident93.1Very high119 Ų11954 Ų5477%0.77330%0.3SS*.SBendtrans-73.5-8.2174.731-35.6000113.3
220R88.3Confident92.7Very high57 Ų5756.9 Ų56.922%0.21532%0.315CS..SBendtrans-114156.8-179.768.6-175.8-60.7152.610111.5S218 C222 I223 Y234 N235 E241S218-R220 PolarHBondContact O-N 3.4Å; S218-R220 WeakPolarHBondContact OG-CG 3.28Å; R220-C222 PolarHBondContact O-N 3.16Å; R220-I223 VanDerWaalsContact CZ-CD1 3.5Å; R220-I223 VanDerWaalsContact NH2-CD1 3.34Å; R220-Y234 PolarHBondContact NH2-O 2.99Å; R220-N235 PolarHBondContact NH1-O 3.2Å; R220-E241 WeakPolarHBondContact CD-OE1 3.26Å; R220-E241 IonicContact CZ-OE2 3.49Å; R220-E241 IonicContact NH1-OE2 2.74Å; R220-E241 PolarHBondContact NH1-OE2 2.97Å
221P90.3Very high92.4Very high113 Ų11361.8 Ų61.873%0.73435%0.35SS*.PPolyproline II helixtrans-56.4139.8169.7-22.933.7000110.9I223P221-I223 PolarHBondContact O-N 2.52Å; P221-I223 VanDerWaalsContact O-N 3.16Å
222C92.6Very high92.2Very high42 Ų4256.7 Ų56.728%0.28433%0.332SS..PPolyproline II helixtrans-63119.6-177.7-179.30000111.8C214 R220 N244C214-C222 VanDerWaalsContact CA-SG 3.59Å; C214-C222 HydrophobicContact CB-CB 3.59Å; C214-C222 WeakPolarHBondContact CB-SG 3.24Å; C214-C222 WeakPolarHBondContact SG-CB 3.28Å; C214-C222 CovalentContact SG-SG 2Å; C214-C222 PolarHBondContact SG-SG 3.31Å; R220-C222 PolarHBondContact O-N 3.16Å; C222-N244 WeakPolarHBondContact CA-OD1 3.42Å
223I93.4Very high91.8Very high15 Ų1558.4 Ų58.48%0.07734%0.34CS..PPolyproline II helixtrans-86125.9169.9-62.5169.9000108.4R220 P221 D225 L227 H233 Y236 N244R220-I223 VanDerWaalsContact CZ-CD1 3.5Å; R220-I223 VanDerWaalsContact NH2-CD1 3.34Å; P221-I223 PolarHBondContact O-N 2.52Å; P221-I223 VanDerWaalsContact O-N 3.16Å; I223-D225 WeakPolarHBondContact CG2-O 3.47Å; I223-L227 HydrophobicContact CB-CD2 4.44Å; I223-L227 HydrophobicContact CG2-CD2 3.9Å; I223-L227 WeakPolarHBondContact O-CD2 3.47Å; I223-H233 HydrophobicContact CD1-CB 3.89Å; I223-H233 VanDerWaalsContact CG2-CE1 3.47Å; I223-H233 WeakPolarHBondContact CG2-CE1 3.36Å; I223-H233 WeakPolarHBondContact CG2-NE2 3.49Å; I223-Y236 HydrophobicContact CD1-CD2 3.74Å; I223-Y236 HydrophobicContact CD1-CE2 3.97Å; I223-Y236 HydrophobicContact CD1-CG 4.33Å; I223-N244 PolarHBondContact N-OD1 3.41Å; I223-N244 PolarHBondContact O-ND2 3.44Å
224Q94.7Very high91.4Very high61 Ų6168.5 Ų68.529%0.28538%0.379SS..  trans-114.6-19.3-178.8-74.217046.200113.4G208 V209G208-Q224 CarbonylContact C-O 3.58Å; G208-Q224 WeakPolarHBondContact CA-O 3.49Å; V209-Q224 PolarHBondContact N-O 2.97Å
225D93.3Very high91Very high56 Ų5674.4 Ų74.430%0.29941%0.41SS..BIsolated β-bridgetrans-119.3155.4-177.871.7-43.9000111.3F206 D207 I223 L227 H233F206-D225 HydrophobicContact CE2-CB 4.48Å; D207-D225 CarbonylContact O-C 3.45Å; D207-D225 WeakPolarHBondContact O-CA 3.37Å; I223-D225 WeakPolarHBondContact CG2-O 3.47Å; D225-L227 PolarHBondContact O-N 3.21Å; D225-H233 PolarHBondContact O-NE2 2.94Å; D225-H233 IonicContact OD1-CE1 3.51Å
226R91.9Very high90.6Very high137 Ų13774.3 Ų74.352%0.51741%0.409SS..  trans54.339.8176.6-65.5178-91.8-172.1-9.3112.9D207 T228 N229 A232D207-R226 PolarHBondContact O-N 3.06Å; D207-R226 WeakPolarHBondContact OD2-CA 3.36Å; R226-T228 VanDerWaalsContact C-N 3.26Å; R226-T228 PolarHBondContact O-N 3.1Å; R226-N229 HydrophobicContact CB-CB 4.37Å; R226-N229 PolarHBondContact O-N 3.14Å; R226-N229 VanDerWaalsContact O-N 3.15Å; R226-A232 HydrophobicContact CB-CB 3.6Å; R226-A232 HydrophobicContact CG-CB 4.36Å
227L91.9Very high90.4Very high4 Ų473.7 Ų73.72%0.02140%0.396CS..THydrogen-bonded Turntrans-64.5-26.9-175.5-59.8166.8000113.1F171 F175 D207 V209 I223 D225 Y236 H238 I245F171-L227 HydrophobicContact CD2-CD1 4.22Å; F171-L227 HydrophobicContact CE2-CD1 4.44Å; F175-L227 HydrophobicContact CE1-CD1 4.06Å; F175-L227 HydrophobicContact CZ-CB 4.42Å; F175-L227 HydrophobicContact CZ-CD1 3.99Å; D207-L227 VanDerWaalsContact CG-N 3.25Å; D207-L227 WeakPolarHBondContact OD1-CB 3.36Å; D207-L227 PolarHBondContact OD1-N 3.46Å; D207-L227 VanDerWaalsContact OD1-N 3.1Å; D207-L227 PolarHBondContact OD2-N 2.95Å; V209-L227 HydrophobicContact CB-CD1 4.46Å; V209-L227 HydrophobicContact CG1-CD1 3.72Å; V209-L227 HydrophobicContact CG2-CD1 4.05Å; I223-L227 HydrophobicContact CB-CD2 4.44Å; I223-L227 HydrophobicContact CG2-CD2 3.9Å; I223-L227 WeakPolarHBondContact O-CD2 3.47Å; D225-L227 PolarHBondContact O-N 3.21Å; L227-Y236 WeakPolarHBondContact CA-OH 3.08Å; L227-Y236 VanDerWaalsContact O-CE1 3.26Å; L227-Y236 WeakPolarHBondContact O-CE1 3.06Å; L227-Y236 PolarHBondContact O-OH 2.99Å; L227-H238 WeakPolarHBondContact O-CB 3.38Å; L227-I245 HydrophobicContact CD1-CD1 4.1Å
228T90.9Very high90Very high71 Ų7172.8 Ų72.844%0.43638%0.382SS..THydrogen-bonded Turntrans-90.8-3.9179.163.60000113.2F175 D207 R226F175-T228 HydrophobicContact CE2-CG2 3.92Å; D207-T228 WeakPolarHBondContact OD2-CA 3.46Å; D207-T228 WeakPolarHBondContact OD2-CB 3.33Å; D207-T228 PolarHBondContact OD2-N 3.06Å; D207-T228 PolarHBondContact OD2-OG1 2.88Å; R226-T228 VanDerWaalsContact C-N 3.26Å; R226-T228 PolarHBondContact O-N 3.1Å
229N91Very high89.6Confident67 Ų6778.8 Ų78.836%0.35841%0.408SS..  trans-104.5101.3-177.1-173.9-8.8000111.7R226 S231 A232R226-N229 HydrophobicContact CB-CB 4.37Å; R226-N229 PolarHBondContact O-N 3.14Å; R226-N229 VanDerWaalsContact O-N 3.15Å; N229-S231 PolarHBondContact O-N 3.04Å; N229-S231 VanDerWaalsContact O-N 3.13Å; N229-S231 PolarHBondContact OD1-N 3.11Å; N229-S231 PolarHBondContact OD1-OG 2.98Å; N229-A232 HydrophobicContact CB-CB 3.89Å; N229-A232 WeakPolarHBondContact O-CB 3.27Å; N229-A232 PolarHBondContact O-N 2.6Å
230N88.9Confident89.4Confident60 Ų6077.8 Ų77.832%0.32140%0.4SS..THydrogen-bonded Turntrans-58.7-25.9178.6-69.9-0.2000113.8Y236 H238N230-Y236 WeakPolarHBondContact CA-O 3.43Å; N230-H238 PolarHBondContact OD1-N 3.05Å; N230-H238 VanDerWaalsContact OD1-N 3.14Å; N230-H238 PolarHBondContact OD1-ND1 3.1Å
231S90.9Very high89Confident105 Ų10577 Ų7773%0.73440%0.399SS*.THydrogen-bonded Turntrans-86.9-9.718068.70000113.8N229 H233N229-S231 PolarHBondContact O-N 3.04Å; N229-S231 VanDerWaalsContact O-N 3.13Å; N229-S231 PolarHBondContact OD1-N 3.11Å; N229-S231 PolarHBondContact OD1-OG 2.98Å; S231-H233 VanDerWaalsContact C-N 3.34Å
232A90.4Very high88.3Confident28 Ų2878.4 Ų78.423%0.23140%0.395CS..SBendtrans-75.5-24.2-174.900000113.3R226 N229R226-A232 HydrophobicContact CB-CB 3.6Å; R226-A232 HydrophobicContact CG-CB 4.36Å; N229-A232 HydrophobicContact CB-CB 3.89Å; N229-A232 WeakPolarHBondContact O-CB 3.27Å; N229-A232 PolarHBondContact O-N 2.6Å
233H89.3Confident87.7Confident39 Ų3980.7 Ų80.718%0.18140%0.404CS..SBendtrans-131.9146.4-172.9-58.8-70.9000110.7I223 D225 S231 N235 Y236I223-H233 HydrophobicContact CD1-CB 3.89Å; I223-H233 VanDerWaalsContact CG2-CE1 3.47Å; I223-H233 WeakPolarHBondContact CG2-CE1 3.36Å; I223-H233 WeakPolarHBondContact CG2-NE2 3.49Å; D225-H233 PolarHBondContact O-NE2 2.94Å; D225-H233 IonicContact OD1-CE1 3.51Å; S231-H233 VanDerWaalsContact C-N 3.34Å; H233-N235 PolarHBondContact O-N 3.07Å; H233-Y236 HydrophobicContact CB-CD1 4.17Å; H233-Y236 HydrophobicContact CB-CG 3.87Å; H233-Y236 AromaticContact CD2-CD1 3.92Å
234Y88.9Confident87.5Confident211 Ų21180 Ų8083%0.82740%0.401SS*.THydrogen-bonded Turntrans-64.1130.1177-179.7-96.7000110.5R220 Y236R220-Y234 PolarHBondContact NH2-O 2.99Å; Y234-Y236 PolarHBondContact O-N 3.23Å
235N87.4Confident87.5Confident138 Ų13877.7 Ų77.774%0.73839%0.39SS*.THydrogen-bonded Turntrans46.157.7179.2-16536.7000111.9R220 H233R220-N235 PolarHBondContact NH1-O 3.2Å; H233-N235 PolarHBondContact O-N 3.07Å
236Y86.9Confident87.6Confident20 Ų2076 Ų768%0.07838%0.38CS..  trans-127.1121.8-176-179.8-108.2000110.2I223 L227 N230 H233 Y234 H238 E241I223-Y236 HydrophobicContact CD1-CD2 3.74Å; I223-Y236 HydrophobicContact CD1-CE2 3.97Å; I223-Y236 HydrophobicContact CD1-CG 4.33Å; L227-Y236 WeakPolarHBondContact CA-OH 3.08Å; L227-Y236 VanDerWaalsContact O-CE1 3.26Å; L227-Y236 WeakPolarHBondContact O-CE1 3.06Å; L227-Y236 PolarHBondContact O-OH 2.99Å; N230-Y236 WeakPolarHBondContact CA-O 3.43Å; H233-Y236 HydrophobicContact CB-CD1 4.17Å; H233-Y236 HydrophobicContact CB-CG 3.87Å; H233-Y236 AromaticContact CD2-CD1 3.92Å; Y234-Y236 PolarHBondContact O-N 3.23Å; Y236-H238 HydrophobicContact CE1-CB 3.97Å; Y236-E241 HydrophobicContact CD2-CB 4.41Å; Y236-E241 HydrophobicContact CD2-CG 4.2Å; Y236-E241 HydrophobicContact CE2-CB 4.06Å; Y236-E241 HydrophobicContact CE2-CG 3.84Å
237E87.8Confident87.6Confident95 Ų9573.5 Ų73.544%0.44438%0.376SS..  trans-130.4105.9173.6-179.5144.5-122.900108.7Q239 T240 E241E237-Q239 PolarHBondContact O-N 3.16Å; E237-T240 WeakPolarHBondContact CB-OG1 3.15Å; E237-T240 HydrophobicContact CG-CG2 4.45Å; E237-T240 PolarHBondContact O-N 3.5Å; E237-T240 PolarHBondContact O-OG1 2Å; E237-E241 VanDerWaalsContact O-CB 3.3Å; E237-E241 WeakPolarHBondContact O-CB 3.02Å; E237-E241 PolarHBondContact O-N 2.91Å
238H82.4Confident87.7Confident72 Ų7278 Ų7833%0.33339%0.392SS..THydrogen-bonded Turntrans-62.5-20.4-170.276.1-84.2000114.1L227 N230 Y236L227-H238 WeakPolarHBondContact O-CB 3.38Å; N230-H238 PolarHBondContact OD1-N 3.05Å; N230-H238 VanDerWaalsContact OD1-N 3.14Å; N230-H238 PolarHBondContact OD1-ND1 3.1Å; Y236-H238 HydrophobicContact CE1-CB 3.97Å
239Q82.6Confident88Confident145 Ų14574.8 Ų74.868%0.67837%0.373SS*.THydrogen-bonded Turntrans-78-28.3179-63.4-173.3-9.100112.7E237E237-Q239 PolarHBondContact O-N 3.16Å
240T82.7Confident88.4Confident98 Ų9871.6 Ų71.660%0.60136%0.356SS*.THydrogen-bonded Turntrans-107.5-15.2-178.157.40000112.2E237 E242E237-T240 WeakPolarHBondContact CB-OG1 3.15Å; E237-T240 HydrophobicContact CG-CG2 4.45Å; E237-T240 PolarHBondContact O-N 3.5Å; E237-T240 PolarHBondContact O-OG1 2Å; T240-E242 PolarHBondContact O-N 3.37Å
241E79.8Confident88.7Confident41 Ų4170.8 Ų70.819%0.19235%0.348CS..  trans-78.280177.4-168.382.2-138.600111.8R220 Y236 E237 N244R220-E241 WeakPolarHBondContact CD-OE1 3.26Å; R220-E241 IonicContact CZ-OE2 3.49Å; R220-E241 IonicContact NH1-OE2 2.74Å; R220-E241 PolarHBondContact NH1-OE2 2.97Å; Y236-E241 HydrophobicContact CD2-CB 4.41Å; Y236-E241 HydrophobicContact CD2-CG 4.2Å; Y236-E241 HydrophobicContact CE2-CB 4.06Å; Y236-E241 HydrophobicContact CE2-CG 3.84Å; E237-E241 VanDerWaalsContact O-CB 3.3Å; E237-E241 WeakPolarHBondContact O-CB 3.02Å; E237-E241 PolarHBondContact O-N 2.91Å; E241-N244 HydrophobicContact CG-CB 3.71Å
242E76.6Confident89Confident142 Ų14270.4 Ų70.466%0.66434%0.335SS*.  trans-84-16.9-179.1-63.2-175.516700114.2T240 I247T240-E242 PolarHBondContact O-N 3.37Å; E242-I247 HydrophobicContact CB-CD1 4.17Å; E242-I247 HydrophobicContact CG-CD1 4.31Å
243L79.1Confident89.3Confident90 Ų9069.3 Ų69.347%0.47133%0.326SS..SBendtrans-101.3-10.2-168.4-76.3166.8000114.7N215 S218N215-L243 VanDerWaalsContact CB-O 3.26Å; N215-L243 WeakPolarHBondContact CB-O 3.43Å; N215-L243 PolarHBondContact ND2-O 3.49Å; S218-L243 WeakPolarHBondContact CB-O 3.21Å; S218-L243 PolarHBondContact OG-O 3.44Å
244N90.4Very high89.6Confident1 Ų167.5 Ų67.51%0.00532%0.317CS..SBendtrans-72.3-41.9-176.1178.370.8000113N215 C222 I223 E241N215-N244 PolarHBondContact N-O 3Å; C222-N244 WeakPolarHBondContact CA-OD1 3.42Å; I223-N244 PolarHBondContact N-OD1 3.41Å; I223-N244 PolarHBondContact O-ND2 3.44Å; E241-N244 HydrophobicContact CG-CB 3.71Å
245I94.5Very high89.9Confident11 Ų1157.7 Ų57.76%0.05628%0.28CS..BIsolated β-bridgetrans-131.2160.9178.257.4172.6000110.6F171 V209 C213 L227 I247F171-I245 HydrophobicContact CB-CD1 3.86Å; F171-I245 HydrophobicContact CD1-CD1 3.95Å; F171-I245 HydrophobicContact CD2-CD1 3.75Å; F171-I245 HydrophobicContact CE1-CD1 4.43Å; F171-I245 HydrophobicContact CE2-CD1 4.25Å; F171-I245 HydrophobicContact CG-CD1 3.58Å; V209-I245 HydrophobicContact CG2-CG2 4.2Å; C213-I245 CarbonylContact O-C 3.56Å; C213-I245 VanDerWaalsContact O-CA 3.27Å; C213-I245 WeakPolarHBondContact O-CA 3.33Å; C213-I245 WeakPolarHBondContact O-CB 3.29Å; L227-I245 HydrophobicContact CD1-CD1 4.1Å; I245-I247 PolarHBondContact O-N 2.97Å
246Y95.1Very high90.3Very high22 Ų2255 Ų559%0.08627%0.265CS..  trans-68.9115.3169.2-58.5-54.2000110.6Q164 C166 C213 C214 N215 P216Q164-Y246 HydrophobicContact CB-CD1 3.71Å; Q164-Y246 HydrophobicContact CB-CE1 3.46Å; Q164-Y246 VanDerWaalsContact CB-CE1 3.46Å; Q164-Y246 HydrophobicContact CB-CE2 4.37Å; Q164-Y246 HydrophobicContact CB-CG 4.28Å; Q164-Y246 HydrophobicContact CG-CE1 3.81Å; Q164-Y246 WeakPolarHBondContact O-CB 3.27Å; C166-Y246 WeakPolarHBondContact CB-O 3.18Å; C213-Y246 WeakPolarHBondContact O-CD2 3.15Å; C213-Y246 PolarHBondContact O-N 3.17Å; C214-Y246 WeakPolarHBondContact O-CE2 3.16Å; N215-Y246 HydrophobicContact CB-CD1 4.06Å; N215-Y246 HydrophobicContact CB-CE1 3.78Å; P216-Y246 WeakPolarHBondContact CD-OH 3.37Å
247I91.8Very high90.7Very high84 Ų8458.1 Ų58.143%0.43128%0.277SS..  trans-80.8-28.7179-63.3173.3000111.6E242 I245E242-I247 HydrophobicContact CB-CD1 4.17Å; E242-I247 HydrophobicContact CG-CD1 4.31Å; I245-I247 PolarHBondContact O-N 2.97Å
248R95.1Very high91Very high99 Ų9953.7 Ų53.737%0.37426%0.256SS..SBendtrans-67.4131.7-177.9-171.4176.4-175-152.7-6.7111.6C165 C166 E252 N256C165-R248 CarbonylContact C-O 3.54Å; C165-R248 WeakPolarHBondContact CA-O 3.28Å; C165-R248 VanDerWaalsContact CB-O 3.29Å; C165-R248 WeakPolarHBondContact CB-O 3.19Å; C166-R248 PolarHBondContact N-O 3.4Å; R248-E252 IonicContact CZ-OE1 2.77Å; R248-E252 IonicContact NE-OE1 2.89Å; R248-E252 PolarHBondContact NE-OE1 3.38Å; R248-E252 PolarHBondContact NH2-O 3.21Å; R248-E252 IonicContact NH2-OE1 3.32Å; R248-E252 PolarHBondContact NH2-OE1 3.17Å; R248-N256 PolarHBondContact NH2-ND2 3.28Å
249G97Very high91.5Very high2 Ų251.1 Ų51.12%0.02125%0.245CC..  trans-67.5142.5174.700000113.7N168 T169 R251 E252 A253N168-G249 CarbonylContact O-C 3.41Å; T169-G249 WeakPolarHBondContact O-CA 3.33Å; T169-G249 PolarHBondContact O-N 3.46Å; G249-R251 VanDerWaalsContact C-N 3.28Å; G249-R251 PolarHBondContact O-N 3.43Å; G249-E252 PolarHBondContact O-N 3.06Å; G249-A253 PolarHBondContact O-N 3.46Å; G249-A253 VanDerWaalsContact O-N 3.12Å
250C97.7Very high92.1Very high1 Ų145.8 Ų45.81%0.00723%0.229CC..Hα-helixtrans-67.9-26.1179.1-65.90000113.7L134 L159 C165 G167 N168 A253 L254L134-C250 HydrophobicContact CD1-CB 4.12Å; L134-C250 HydrophobicContact CD2-CB 4.39Å; L159-C250 HydrophobicContact CD2-CB 3.66Å; L159-C250 VanDerWaalsContact CD2-SG 3.57Å; C165-C250 HydrophobicContact CB-CB 3.9Å; C165-C250 WeakPolarHBondContact CB-SG 3.38Å; C165-C250 WeakPolarHBondContact SG-CA 3.41Å; C165-C250 WeakPolarHBondContact SG-CB 3.43Å; C165-C250 CovalentContact SG-SG 2.04Å; C165-C250 PolarHBondContact SG-SG 3.12Å; G167-C250 WeakPolarHBondContact O-CB 3.31Å; G167-C250 PolarHBondContact O-N 3.3Å; G167-C250 PolarHBondContact O-SG 3.49Å; G167-C250 VanDerWaalsContact O-SG 3.37Å; N168-C250 PolarHBondContact O-N 3.46Å; C250-A253 PolarHBondContact O-N 2.85Å; C250-L254 WeakPolarHBondContact O-CB 3.09Å; C250-L254 WeakPolarHBondContact O-CD1 3.17Å; C250-L254 WeakPolarHBondContact O-CG 3.21Å; C250-L254 PolarHBondContact O-N 3.17Å
251R96.8Very high92.6Very high42 Ų4242.4 Ų42.416%0.15821%0.207CC..Hα-helixtrans-60-50173.2-177.9175.577-121-0.4110.5E127 L130 L134 N168 T169 G249 L254 V255E127-R251 HydrophobicContact CG-CG 4.21Å; E127-R251 IonicContact OE1-NE 3.35Å; E127-R251 PolarHBondContact OE1-NE 2.9Å; L130-R251 HydrophobicContact CB-CG 4.34Å; L134-R251 HydrophobicContact CD1-CB 3.97Å; N168-R251 WeakPolarHBondContact O-CB 3.36Å; N168-R251 PolarHBondContact O-N 3Å; N168-R251 WeakPolarHBondContact OD1-CB 3.2Å; N168-R251 PolarHBondContact OD1-NH1 2.87Å; T169-R251 PolarHBondContact OG1-NH1 3.2Å; G249-R251 VanDerWaalsContact C-N 3.28Å; G249-R251 PolarHBondContact O-N 3.43Å; R251-L254 PolarHBondContact O-N 2.87Å; R251-V255 HydrophobicContact CG-CG2 4.36Å; R251-V255 WeakPolarHBondContact O-CB 3.42Å; R251-V255 WeakPolarHBondContact O-CG2 2.99Å; R251-V255 PolarHBondContact O-N 2.76Å
252E96.9Very high93.2Very high98 Ų9840.6 Ų40.646%0.45820%0.199SC..Hα-helixtrans-65.3-42-179.4-164.7-145.6116.800111.6R248 G249 L254 N256R248-E252 IonicContact CZ-OE1 2.77Å; R248-E252 IonicContact NE-OE1 2.89Å; R248-E252 PolarHBondContact NE-OE1 3.38Å; R248-E252 PolarHBondContact NH2-O 3.21Å; R248-E252 IonicContact NH2-OE1 3.32Å; R248-E252 PolarHBondContact NH2-OE1 3.17Å; G249-E252 PolarHBondContact O-N 3.06Å; E252-L254 PolarHBondContact O-N 2.82Å; E252-N256 WeakPolarHBondContact O-CB 3.05Å; E252-N256 VanDerWaalsContact O-CG 3.28Å; E252-N256 PolarHBondContact O-N 3.02Å; E252-N256 PolarHBondContact OE1-ND2 3.01Å
253A97.1Very high94Very high4 Ų436.8 Ų36.83%0.03318%0.183CC..Hα-helixtrans-58.7-48.4176.700000112.4F163 C165 G249 C250 Y257F163-A253 HydrophobicContact CB-CB 4.11Å; C165-A253 HydrophobicContact CB-CB 3.96Å; G249-A253 PolarHBondContact O-N 3.46Å; G249-A253 VanDerWaalsContact O-N 3.12Å; C250-A253 PolarHBondContact O-N 2.85Å; A253-Y257 WeakPolarHBondContact O-CB 3.3Å; A253-Y257 PolarHBondContact O-N 3.33Å
254L95.6Very high94.7Very high1 Ų136.7 Ų36.71%0.00519%0.186CC..Hα-helixtrans-70.1-42179.9-68.7170000112.7L130 L134 L159 F163 C250 R251 E252 N256 Y257 Y258L130-L254 HydrophobicContact CD1-CB 3.73Å; L130-L254 HydrophobicContact CD2-CB 4.22Å; L130-L254 HydrophobicContact CD2-CD1 3.72Å; L134-L254 HydrophobicContact CD1-CD1 4.14Å; L134-L254 HydrophobicContact CD2-CD1 4.26Å; L159-L254 HydrophobicContact CD1-CD1 3.87Å; L159-L254 HydrophobicContact CD1-CD2 4.45Å; L159-L254 HydrophobicContact CD2-CD1 4.17Å; L159-L254 HydrophobicContact CG-CD1 4.43Å; F163-L254 HydrophobicContact CD1-CD2 4.44Å; F163-L254 HydrophobicContact CD2-CD2 3.61Å; F163-L254 HydrophobicContact CE1-CD2 4.2Å; F163-L254 HydrophobicContact CE2-CD2 3.24Å; F163-L254 HydrophobicContact CG-CD2 4.18Å; F163-L254 HydrophobicContact CZ-CD2 3.6Å; C250-L254 WeakPolarHBondContact O-CB 3.09Å; C250-L254 WeakPolarHBondContact O-CD1 3.17Å; C250-L254 WeakPolarHBondContact O-CG 3.21Å; C250-L254 PolarHBondContact O-N 3.17Å; R251-L254 PolarHBondContact O-N 2.87Å; E252-L254 PolarHBondContact O-N 2.82Å; L254-N256 VanDerWaalsContact C-N 3.3Å; L254-N256 PolarHBondContact O-N 3.48Å; L254-Y257 PolarHBondContact O-N 3.3Å; L254-Y258 HydrophobicContact CB-CD2 4.37Å; L254-Y258 HydrophobicContact CB-CE2 4.48Å; L254-Y258 HydrophobicContact CD2-CE2 4.19Å; L254-Y258 VanDerWaalsContact O-CD2 3.24Å; L254-Y258 WeakPolarHBondContact O-CD2 3.43Å; L254-Y258 PolarHBondContact O-N 3.47Å
255V95.1Very high94.9Very high6 Ų637.1 Ų37.14%0.03619%0.189CC..Hα-helixtrans-58.4-46.6175.9167.70000109.8K123 E127 L130 R251 Y257 M259K123-V255 HydrophobicContact CG-CG1 4.39Å; E127-V255 HydrophobicContact CB-CG2 3.86Å; E127-V255 HydrophobicContact CG-CG2 4.12Å; L130-V255 HydrophobicContact CD1-CG2 3.69Å; R251-V255 HydrophobicContact CG-CG2 4.36Å; R251-V255 WeakPolarHBondContact O-CB 3.42Å; R251-V255 WeakPolarHBondContact O-CG2 2.99Å; R251-V255 PolarHBondContact O-N 2.76Å; V255-Y257 VanDerWaalsContact C-N 3.35Å; V255-Y257 PolarHBondContact O-N 3.28Å; V255-M259 HydrophobicContact CG1-CG 4.1Å; V255-M259 WeakPolarHBondContact O-CB 3.17Å; V255-M259 VanDerWaalsContact O-CG 3.24Å; V255-M259 WeakPolarHBondContact O-CG 3.3Å; V255-M259 PolarHBondContact O-N 3Å
256N95.9Very high94.9Very high81 Ų8136.7 Ų36.743%0.43319%0.187SC..Hα-helixtrans-65.4-39179.7-71.3-8.8000111.9R248 E252 L254 G260R248-N256 PolarHBondContact NH2-ND2 3.28Å; E252-N256 WeakPolarHBondContact O-CB 3.05Å; E252-N256 VanDerWaalsContact O-CG 3.28Å; E252-N256 PolarHBondContact O-N 3.02Å; E252-N256 PolarHBondContact OE1-ND2 3.01Å; L254-N256 VanDerWaalsContact C-N 3.3Å; L254-N256 PolarHBondContact O-N 3.48Å; N256-G260 PolarHBondContact O-N 3.35Å
257Y95.3Very high94.9Very high86 Ų8637.9 Ų37.934%0.33720%0.201SC..Hα-helixtrans-62.1-55.9175.5174.4-103.8000112.5E44 F163 A253 L254 V255 G260 L261E44-Y257 HydrophobicContact CG-CE1 3.98Å; F163-Y257 AromaticContact CE1-CD1 3.92Å; F163-Y257 HydrophobicContact CE1-CD1 3.92Å; F163-Y257 AromaticContact CE1-CD2 3.85Å; F163-Y257 HydrophobicContact CE1-CD2 3.85Å; F163-Y257 HydrophobicContact CE1-CE2 4.44Å; F163-Y257 AromaticContact CE1-CG 3.56Å; F163-Y257 HydrophobicContact CE1-CG 3.56Å; F163-Y257 AromaticContact CZ-CD1 3.88Å; F163-Y257 HydrophobicContact CZ-CD1 3.88Å; F163-Y257 HydrophobicContact CZ-CD2 4.47Å; F163-Y257 HydrophobicContact CZ-CE1 4.21Å; F163-Y257 HydrophobicContact CZ-CG 4.02Å; A253-Y257 WeakPolarHBondContact O-CB 3.3Å; A253-Y257 PolarHBondContact O-N 3.33Å; L254-Y257 PolarHBondContact O-N 3.3Å; V255-Y257 VanDerWaalsContact C-N 3.35Å; V255-Y257 PolarHBondContact O-N 3.28Å; Y257-G260 PolarHBondContact O-N 3.07Å; Y257-L261 PolarHBondContact O-N 2.87Å
258Y93.7Very high95Very high1 Ų135.7 Ų35.70%0.00420%0.195CC..Hα-helixtrans-70.4-36.2-176.4-76.1-64000112.7E44 L45 R48 L126 L254 G260 L261 M262E44-Y258 HydrophobicContact CG-CE1 3.95Å; E44-Y258 PolarHBondContact O-OH 2.98Å; L45-Y258 HydrophobicContact CD2-CD1 3.88Å; L45-Y258 HydrophobicContact CD2-CE1 3.64Å; L45-Y258 HydrophobicContact CD2-CG 4.48Å; L45-Y258 HydrophobicContact CG-CE1 4.22Å; R48-Y258 WeakPolarHBondContact CD-OH 3.34Å; L126-Y258 HydrophobicContact CD1-CD2 4.41Å; L254-Y258 HydrophobicContact CB-CD2 4.37Å; L254-Y258 HydrophobicContact CB-CE2 4.48Å; L254-Y258 HydrophobicContact CD2-CE2 4.19Å; L254-Y258 VanDerWaalsContact O-CD2 3.24Å; L254-Y258 WeakPolarHBondContact O-CD2 3.43Å; L254-Y258 PolarHBondContact O-N 3.47Å; Y258-G260 VanDerWaalsContact C-N 3.34Å; Y258-L261 PolarHBondContact O-N 2.77Å; Y258-M262 WeakPolarHBondContact O-CB 3.19Å; Y258-M262 VanDerWaalsContact O-CG 3.32Å; Y258-M262 WeakPolarHBondContact O-CG 3.49Å; Y258-M262 PolarHBondContact O-N 3.36Å
259M93.3Very high95Very high18 Ų1831 Ų319%0.08918%0.178CC..Hα-helixtrans-66.4-37.8172.4-73.7-58.7-55.700111.6K123 L126 V255 L261 M262 N263K123-M259 VanDerWaalsContact CA-SD 3.58Å; K123-M259 HydrophobicContact CB-CE 3.85Å; K123-M259 HydrophobicContact CB-CG 4.35Å; K123-M259 HydrophobicContact CB-SD 3.63Å; K123-M259 HydrophobicContact CG-CE 4.38Å; K123-M259 HydrophobicContact CG-CG 4.05Å; K123-M259 HydrophobicContact CG-SD 4.01Å; L126-M259 HydrophobicContact CD2-CG 4.2Å; L126-M259 HydrophobicContact CD2-SD 4.31Å; V255-M259 HydrophobicContact CG1-CG 4.1Å; V255-M259 WeakPolarHBondContact O-CB 3.17Å; V255-M259 VanDerWaalsContact O-CG 3.24Å; V255-M259 WeakPolarHBondContact O-CG 3.3Å; V255-M259 PolarHBondContact O-N 3Å; M259-L261 VanDerWaalsContact C-N 3.3Å; M259-L261 PolarHBondContact O-N 3.03Å; M259-M262 PolarHBondContact O-N 2.86Å; M259-N263 WeakPolarHBondContact O-CB 3.24Å; M259-N263 PolarHBondContact O-N 3.41Å; M259-N263 PolarHBondContact O-ND2 2.93Å
260G93.8Very high94.9Very high34 Ų3434.2 Ų34.235%0.35119%0.194SC..Hα-helixtrans-58.7-44.7171.900000111.6N256 Y257 Y258 T264N256-G260 PolarHBondContact O-N 3.35Å; Y257-G260 PolarHBondContact O-N 3.07Å; Y258-G260 VanDerWaalsContact C-N 3.34Å; G260-T264 WeakPolarHBondContact O-CG2 3.29Å; G260-T264 PolarHBondContact O-N 3.5Å; G260-T264 VanDerWaalsContact O-N 3.1Å; G260-T264 PolarHBondContact O-OG1 2.94Å
261L93.9Very high94.8Very high27 Ų2737.7 Ų37.714%0.14122%0.218CC..Hα-helixtrans-65.6-46.2176.4-175.961.3000112.5F40 L41 Y257 Y258 M259 N263 T264 I265F40-L261 HydrophobicContact CD1-CD1 4.32Å; F40-L261 HydrophobicContact CD1-CD2 4.47Å; F40-L261 HydrophobicContact CE1-CD1 3.71Å; F40-L261 HydrophobicContact CE1-CD2 3.93Å; F40-L261 HydrophobicContact CE1-CG 4.46Å; L41-L261 HydrophobicContact CD1-CD2 3.58Å; L41-L261 HydrophobicContact CD1-CG 4.08Å; Y257-L261 PolarHBondContact O-N 2.87Å; Y258-L261 PolarHBondContact O-N 2.77Å; M259-L261 VanDerWaalsContact C-N 3.3Å; M259-L261 PolarHBondContact O-N 3.03Å; L261-N263 PolarHBondContact O-N 3.47Å; L261-T264 PolarHBondContact O-N 2.87Å; L261-T264 PolarHBondContact O-OG1 2.84Å; L261-I265 HydrophobicContact CD1-CD1 3.84Å; L261-I265 HydrophobicContact CD1-CG1 4.27Å; L261-I265 HydrophobicContact CG-CD1 3.88Å; L261-I265 WeakPolarHBondContact O-CB 3.13Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.33Å; L261-I265 PolarHBondContact O-N 2.85Å
262M92.9Very high94.6Very high2 Ų236.4 Ų36.41%0.0121%0.214CC..Hα-helixtrans-64.9-39.6178.5-72.7-178.8-179.800112.1L41 L45 I57 Y258 M259 G266L41-M262 HydrophobicContact CD1-CG 4.49Å; L41-M262 HydrophobicContact CD2-CG 4.46Å; L45-M262 HydrophobicContact CD1-CE 4.5Å; I57-M262 HydrophobicContact CG2-CE 4.45Å; Y258-M262 WeakPolarHBondContact O-CB 3.19Å; Y258-M262 VanDerWaalsContact O-CG 3.32Å; Y258-M262 WeakPolarHBondContact O-CG 3.49Å; Y258-M262 PolarHBondContact O-N 3.36Å; M259-M262 PolarHBondContact O-N 2.86Å; M262-G266 WeakPolarHBondContact O-CA 3.25Å; M262-G266 PolarHBondContact O-N 3.44Å
263N92.6Very high94.5Very high62 Ų6233.1 Ų33.133%0.33220%0.199SC..Hα-helixtrans-66.9-41.3178.6-73-13.7000112.2Y120 M259 L261 G266 A267Y120-N263 WeakPolarHBondContact CD1-OD1 3.39Å; Y120-N263 HydrophobicContact CE1-CB 4.11Å; Y120-N263 WeakPolarHBondContact CE1-OD1 3.47Å; Y120-N263 PolarHBondContact OH-O 2.98Å; M259-N263 WeakPolarHBondContact O-CB 3.24Å; M259-N263 PolarHBondContact O-N 3.41Å; M259-N263 PolarHBondContact O-ND2 2.93Å; L261-N263 PolarHBondContact O-N 3.47Å; N263-G266 PolarHBondContact O-N 3.4Å; N263-A267 WeakPolarHBondContact O-CB 3.47Å; N263-A267 PolarHBondContact O-N 3.37Å
264T94.3Very high94.4Very high89 Ų8938 Ų3855%0.54622%0.224SC..Hα-helixtrans-68.7-44.4178.448.60000111.4G260 L261 A267 A268G260-T264 WeakPolarHBondContact O-CG2 3.29Å; G260-T264 PolarHBondContact O-N 3.5Å; G260-T264 VanDerWaalsContact O-N 3.1Å; G260-T264 PolarHBondContact O-OG1 2.94Å; L261-T264 PolarHBondContact O-N 2.87Å; L261-T264 PolarHBondContact O-OG1 2.84Å; T264-A267 PolarHBondContact O-N 2.97Å; T264-A268 PolarHBondContact O-N 2.04Å; T264-A268 VanDerWaalsContact O-N 3.1Å
265I94.9Very high94.3Very high10 Ų1040.3 Ų40.35%0.05124%0.238CC..Hα-helixtrans-61.9-46.5172.4-67.7173.4000110.3L37 L41 L64 L261 A267 A268 V269L37-I265 HydrophobicContact CB-CG2 4.37Å; L37-I265 HydrophobicContact CD2-CG1 4.39Å; L41-I265 HydrophobicContact CB-CD1 4.05Å; L41-I265 HydrophobicContact CD1-CD1 4.46Å; L41-I265 HydrophobicContact CD2-CD1 4.3Å; L64-I265 HydrophobicContact CD2-CG2 3.57Å; L261-I265 HydrophobicContact CD1-CD1 3.84Å; L261-I265 HydrophobicContact CD1-CG1 4.27Å; L261-I265 HydrophobicContact CG-CD1 3.88Å; L261-I265 WeakPolarHBondContact O-CB 3.13Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.33Å; L261-I265 PolarHBondContact O-N 2.85Å; I265-A267 VanDerWaalsContact C-N 3.32Å; I265-A267 PolarHBondContact O-N 2.98Å; I265-A268 PolarHBondContact O-N 3.24Å; I265-A268 VanDerWaalsContact O-N 3.17Å; I265-V269 HydrophobicContact CG2-CG2 4.02Å; I265-V269 WeakPolarHBondContact O-CB 3.3Å; I265-V269 WeakPolarHBondContact O-CG2 3.32Å; I265-V269 PolarHBondContact O-N 3.23Å
266G94.3Very high94.2Very high2 Ų240.1 Ų40.12%0.02124%0.237CC..Hα-helixtrans-57.1-42.9178.700000112.6M262 N263 V269 L270M262-G266 WeakPolarHBondContact O-CA 3.25Å; M262-G266 PolarHBondContact O-N 3.44Å; N263-G266 PolarHBondContact O-N 3.4Å; G266-V269 PolarHBondContact O-N 3.45Å; G266-L270 WeakPolarHBondContact O-CB 2.9Å; G266-L270 PolarHBondContact O-N 3.38Å
267A94.6Very high94Very high46 Ų4637.9 Ų37.938%0.3823%0.227SC..Hα-helixtrans-66.1-41.3176.100000112.6Y120 N263 T264 I265 L270 S271Y120-A267 PolarHBondContact OH-N 2.03Å; N263-A267 WeakPolarHBondContact O-CB 3.47Å; N263-A267 PolarHBondContact O-N 3.37Å; T264-A267 PolarHBondContact O-N 2.97Å; I265-A267 VanDerWaalsContact C-N 3.32Å; I265-A267 PolarHBondContact O-N 2.98Å; A267-L270 PolarHBondContact O-N 2.98Å; A267-S271 PolarHBondContact O-N 2.94Å; A267-S271 PolarHBondContact O-OG 3.33Å
268A94.7Very high93.9Very high38 Ų3835.9 Ų35.931%0.31423%0.226SC..Hα-helixtrans-62.6-47.3175.100000111T264 I265 L270 S271 I272T264-A268 PolarHBondContact O-N 2.04Å; T264-A268 VanDerWaalsContact O-N 3.1Å; I265-A268 PolarHBondContact O-N 3.24Å; I265-A268 VanDerWaalsContact O-N 3.17Å; A268-L270 VanDerWaalsContact C-N 3.32Å; A268-L270 PolarHBondContact O-N 3.43Å; A268-S271 WeakPolarHBondContact O-CB 3.41Å; A268-S271 PolarHBondContact O-N 2.86Å; A268-S271 VanDerWaalsContact O-N 3.16Å; A268-I272 WeakPolarHBondContact O-CG1 3.4Å; A268-I272 PolarHBondContact O-N 2.94Å; A268-I272 VanDerWaalsContact O-N 3.1Å
269V94.9Very high93.8Very high2 Ų235.9 Ų35.91%0.01223%0.226CC..Hα-helixtrans-65.7-34.9179.11780000111.6T34 L64 M112 V116 I265 G266 S271 I272 F273T34-V269 HydrophobicContact CG2-CG2 4.37Å; L64-V269 HydrophobicContact CD1-CG1 4.14Å; L64-V269 HydrophobicContact CD1-CG2 3.61Å; M112-V269 HydrophobicContact CG-CG1 3.72Å; M112-V269 HydrophobicContact SD-CG1 4.37Å; V116-V269 HydrophobicContact CG2-CB 4.08Å; V116-V269 HydrophobicContact CG2-CG1 3.69Å; I265-V269 HydrophobicContact CG2-CG2 4.02Å; I265-V269 WeakPolarHBondContact O-CB 3.3Å; I265-V269 WeakPolarHBondContact O-CG2 3.32Å; I265-V269 PolarHBondContact O-N 3.23Å; G266-V269 PolarHBondContact O-N 3.45Å; V269-S271 VanDerWaalsContact C-N 3.32Å; V269-S271 PolarHBondContact O-N 3.48Å; V269-I272 PolarHBondContact O-N 3.42Å; V269-F273 WeakPolarHBondContact O-CB 3.42Å; V269-F273 PolarHBondContact O-N 2.96Å
270L95.6Very high93.7Very high69 Ų6935.4 Ų35.436%0.36122%0.223SC..Hα-helixtrans-61.7-40.9173.5179.461.2000111.8V116 G266 A267 A268 I272 F273 L274V116-L270 HydrophobicContact CG1-CB 4.13Å; V116-L270 HydrophobicContact CG1-CD1 4.36Å; V116-L270 HydrophobicContact CG2-CB 4.36Å; G266-L270 WeakPolarHBondContact O-CB 2.9Å; G266-L270 PolarHBondContact O-N 3.38Å; A267-L270 PolarHBondContact O-N 2.98Å; A268-L270 VanDerWaalsContact C-N 3.32Å; A268-L270 PolarHBondContact O-N 3.43Å; L270-I272 VanDerWaalsContact C-N 3.32Å; L270-I272 PolarHBondContact O-N 3.48Å; L270-F273 HydrophobicContact CD1-CD1 4.2Å; L270-F273 WeakPolarHBondContact O-CB 3.17Å; L270-F273 PolarHBondContact O-N 2.93Å; L270-L274 WeakPolarHBondContact O-CG 3.34Å; L270-L274 PolarHBondContact O-N 3.36Å; L270-L274 VanDerWaalsContact O-N 3.11Å
271S94.2Very high93.5Very high73 Ų7336.7 Ų36.751%0.5122%0.224SC..Hα-helixtrans-64.4-40.2175.7-62.50000111.3A267 A268 V269 L274 V275A267-S271 PolarHBondContact O-N 2.94Å; A267-S271 PolarHBondContact O-OG 3.33Å; A268-S271 WeakPolarHBondContact O-CB 3.41Å; A268-S271 PolarHBondContact O-N 2.86Å; A268-S271 VanDerWaalsContact O-N 3.16Å; V269-S271 VanDerWaalsContact C-N 3.32Å; V269-S271 PolarHBondContact O-N 3.48Å; S271-L274 PolarHBondContact O-N 3.28Å; S271-V275 PolarHBondContact O-N 3.34Å
272I93.6Very high93.3Very high15 Ų1537 Ų378%0.07723%0.229CC..Hα-helixtrans-65.9-39.5175.6-62.2172.8000111.1A30 T34 M112 A268 V269 L270 L274 V275 Q276A30-I272 HydrophobicContact CB-CB 4.49Å; A30-I272 HydrophobicContact CB-CD1 4.08Å; A30-I272 HydrophobicContact CB-CG1 3.94Å; A30-I272 HydrophobicContact CB-CG2 3.87Å; T34-I272 VanDerWaalsContact OG1-CD1 3.23Å; T34-I272 WeakPolarHBondContact OG1-CD1 3.36Å; M112-I272 HydrophobicContact CE-CG2 4.36Å; M112-I272 HydrophobicContact SD-CG2 4.23Å; A268-I272 WeakPolarHBondContact O-CG1 3.4Å; A268-I272 PolarHBondContact O-N 2.94Å; A268-I272 VanDerWaalsContact O-N 3.1Å; V269-I272 PolarHBondContact O-N 3.42Å; L270-I272 VanDerWaalsContact C-N 3.32Å; L270-I272 PolarHBondContact O-N 3.48Å; I272-L274 VanDerWaalsContact C-N 3.32Å; I272-L274 PolarHBondContact O-N 2.91Å; I272-V275 PolarHBondContact O-N 2.91Å; I272-Q276 WeakPolarHBondContact O-CB 3.38Å; I272-Q276 PolarHBondContact O-N 3.01Å
273F95.3Very high93.1Very high29 Ų2937.1 Ų37.113%0.12723%0.229CC..Hα-helixtrans-59.3-40.7174.8164.8-94.7000112.3T109 M112 L113 V269 L270 Q276 S277T109-F273 HydrophobicContact CG2-CD2 3.81Å; T109-F273 HydrophobicContact CG2-CE2 3.61Å; T109-F273 WeakPolarHBondContact O-CE2 3.31Å; M112-F273 HydrophobicContact CG-CB 4.3Å; M112-F273 HydrophobicContact SD-CB 3.91Å; L113-F273 HydrophobicContact CB-CD2 4.11Å; L113-F273 HydrophobicContact CB-CE2 3.75Å; L113-F273 HydrophobicContact CB-CZ 4.21Å; L113-F273 HydrophobicContact CD1-CE1 4.21Å; L113-F273 HydrophobicContact CD1-CE2 4.45Å; L113-F273 HydrophobicContact CD1-CZ 4.16Å; L113-F273 HydrophobicContact CD2-CE2 4.46Å; L113-F273 HydrophobicContact CD2-CZ 4.17Å; L113-F273 HydrophobicContact CG-CE2 4.44Å; L113-F273 HydrophobicContact CG-CZ 4.42Å; V269-F273 WeakPolarHBondContact O-CB 3.42Å; V269-F273 PolarHBondContact O-N 2.96Å; L270-F273 HydrophobicContact CD1-CD1 4.2Å; L270-F273 WeakPolarHBondContact O-CB 3.17Å; L270-F273 PolarHBondContact O-N 2.93Å; F273-Q276 PolarHBondContact O-N 3.37Å; F273-S277 WeakPolarHBondContact CZ-OG 3.1Å; F273-S277 VanDerWaalsContact O-CB 3.31Å; F273-S277 WeakPolarHBondContact O-CB 3.47Å; F273-S277 PolarHBondContact O-N 2.88Å; F273-S277 PolarHBondContact O-OG 3.3Å
274L94.9Very high92.9Very high107 Ų10735.2 Ų35.256%0.5622%0.218SC*.Hα-helixtrans-64.6-42.4176.5-66.4176000111.4L270 S271 I272 S277 S278L270-L274 WeakPolarHBondContact O-CG 3.34Å; L270-L274 PolarHBondContact O-N 3.36Å; L270-L274 VanDerWaalsContact O-N 3.11Å; S271-L274 PolarHBondContact O-N 3.28Å; I272-L274 VanDerWaalsContact C-N 3.32Å; I272-L274 PolarHBondContact O-N 2.91Å; L274-S277 PolarHBondContact O-N 3.09Å; L274-S278 PolarHBondContact O-N 3.22Å
275V92.5Very high92.5Very high49 Ų4931.9 Ų31.930%0.29720%0.195SC..Hα-helixtrans-62.3-48.6174.3176.20000110.4L23 A27 S271 I272 S277 S278 V279L23-V275 HydrophobicContact CD1-CG1 3.99Å; L23-V275 HydrophobicContact CG-CG1 4.4Å; A27-V275 HydrophobicContact CB-CG1 4.08Å; S271-V275 PolarHBondContact O-N 3.34Å; I272-V275 PolarHBondContact O-N 2.91Å; V275-S277 VanDerWaalsContact C-N 3.32Å; V275-S277 PolarHBondContact O-N 3.06Å; V275-S278 PolarHBondContact O-N 2.96Å; V275-S278 VanDerWaalsContact O-N 3.14Å; V275-S278 PolarHBondContact O-OG 3.26Å; V275-V279 WeakPolarHBondContact O-CG2 3.38Å; V275-V279 PolarHBondContact O-N 3.19Å
276Q93.5Very high92Very high3 Ų331.6 Ų31.61%0.01419%0.194CC..Hα-helixtrans-56.8-45.6177.2-17169.241.100111.9S71 N75 T109 I272 F273 S278 V279 L280S71-Q276 PolarHBondContact OG-OE1 2.9Å; S71-Q276 VanDerWaalsContact OG-OE1 3.14Å; N75-Q276 PolarHBondContact ND2-OE1 3.44Å; N75-Q276 PolarHBondContact OD1-NE2 3Å; N75-Q276 VanDerWaalsContact OD1-NE2 3.11Å; N75-Q276 PolarHBondContact OD1-OE1 3.33Å; T109-Q276 HydrophobicContact CG2-CG 4.08Å; T109-Q276 WeakPolarHBondContact OG1-CG 3.33Å; I272-Q276 WeakPolarHBondContact O-CB 3.38Å; I272-Q276 PolarHBondContact O-N 3.01Å; F273-Q276 PolarHBondContact O-N 3.37Å; Q276-S278 VanDerWaalsContact C-N 3.32Å; Q276-S278 PolarHBondContact O-N 3.05Å; Q276-V279 PolarHBondContact O-N 3.18Å; Q276-L280 WeakPolarHBondContact O-CG 3.26Å; Q276-L280 PolarHBondContact O-N 2.83Å
277S92.1Very high91.5Very high33 Ų3331.6 Ų31.623%0.23119%0.193CC..Hα-helixtrans-61.9-42178.3-62.10000111.1F273 L274 V275 L280 V281F273-S277 WeakPolarHBondContact CZ-OG 3.1Å; F273-S277 VanDerWaalsContact O-CB 3.31Å; F273-S277 WeakPolarHBondContact O-CB 3.47Å; F273-S277 PolarHBondContact O-N 2.88Å; F273-S277 PolarHBondContact O-OG 3.3Å; L274-S277 PolarHBondContact O-N 3.09Å; V275-S277 VanDerWaalsContact C-N 3.32Å; V275-S277 PolarHBondContact O-N 3.06Å; S277-L280 PolarHBondContact O-N 3.12Å; S277-V281 WeakPolarHBondContact O-CB 3Å; S277-V281 VanDerWaalsContact O-CG2 3.29Å; S277-V281 WeakPolarHBondContact O-CG2 3.34Å; S277-V281 PolarHBondContact O-N 3.23Å
278S91.7Very high91.1Very high45 Ų4529.6 Ų29.632%0.31518%0.176SC..Hα-helixtrans-63.9-41.9175.972.50000112.4L274 V275 Q276 L280 V281 S282L274-S278 PolarHBondContact O-N 3.22Å; V275-S278 PolarHBondContact O-N 2.96Å; V275-S278 VanDerWaalsContact O-N 3.14Å; V275-S278 PolarHBondContact O-OG 3.26Å; Q276-S278 VanDerWaalsContact C-N 3.32Å; Q276-S278 PolarHBondContact O-N 3.05Å; S278-L280 PolarHBondContact O-N 3.03Å; S278-V281 PolarHBondContact O-N 3.47Å; S278-S282 VanDerWaalsContact O-CB 3.31Å; S278-S282 WeakPolarHBondContact O-CB 3.48Å; S278-S282 PolarHBondContact O-N 3.16Å; S278-S282 PolarHBondContact O-OG 3.48Å; S278-S282 VanDerWaalsContact O-OG 3.12Å
279V91.8Very high90.5Very high0 Ų027.8 Ų27.80%016%0.162CC..Hα-helixtrans-58.8-47.1174.4171.70000110.6L20 L23 A27 A78 V275 Q276 S282 L283L20-V279 HydrophobicContact CD1-CB 4.26Å; L20-V279 HydrophobicContact CD1-CG1 3.96Å; L20-V279 HydrophobicContact CD1-CG2 4.41Å; L23-V279 HydrophobicContact CB-CG2 4.29Å; L23-V279 HydrophobicContact CD2-CG2 3.64Å; L23-V279 HydrophobicContact CG-CG2 3.59Å; A27-V279 HydrophobicContact CB-CG2 4.22Å; A78-V279 HydrophobicContact CB-CG1 4.23Å; V275-V279 WeakPolarHBondContact O-CG2 3.38Å; V275-V279 PolarHBondContact O-N 3.19Å; Q276-V279 PolarHBondContact O-N 3.18Å; V279-S282 PolarHBondContact O-N 3.04Å; V279-L283 WeakPolarHBondContact O-CB 3.2Å; V279-L283 PolarHBondContact O-N 3.45Å
280L91.4Very high89.7Confident8 Ų828.5 Ų28.54%0.04217%0.165CC..Hα-helixtrans-67.2-40.2-178.6-68.9-177.3000113.5S105 T109 Q276 S277 S278 R284S105-L280 VanDerWaalsContact CB-CD2 3.41Å; T109-L280 HydrophobicContact CG2-CD1 4.28Å; T109-L280 WeakPolarHBondContact OG1-CD1 3.42Å; Q276-L280 WeakPolarHBondContact O-CG 3.26Å; Q276-L280 PolarHBondContact O-N 2.83Å; S277-L280 PolarHBondContact O-N 3.12Å; S278-L280 PolarHBondContact O-N 3.03Å; L280-R284 WeakPolarHBondContact O-CB 3.39Å; L280-R284 PolarHBondContact O-N 3.28Å
281V90.3Very high88.9Confident61 Ų6127.5 Ų27.537%0.3716%0.158SC..Hα-helixtrans-63.9-49.6175.6169.60000110S277 S278 L283 R284 Y285 L307S277-V281 WeakPolarHBondContact O-CB 3Å; S277-V281 VanDerWaalsContact O-CG2 3.29Å; S277-V281 WeakPolarHBondContact O-CG2 3.34Å; S277-V281 PolarHBondContact O-N 3.23Å; S278-V281 PolarHBondContact O-N 3.47Å; V281-L283 VanDerWaalsContact C-N 3.35Å; V281-L283 PolarHBondContact O-N 2.94Å; V281-R284 WeakPolarHBondContact O-CB 3.45Å; V281-R284 PolarHBondContact O-N 3.49Å; V281-Y285 HydrophobicContact CG1-CD2 3.88Å; V281-Y285 HydrophobicContact CG1-CE2 3.68Å; V281-Y285 WeakPolarHBondContact O-CD2 3.46Å; V281-Y285 PolarHBondContact O-N 3.42Å; V281-Y285 VanDerWaalsContact O-N 3.08Å; V281-L307 HydrophobicContact CB-CD1 4.48Å; V281-L307 HydrophobicContact CG1-CD1 4.15Å; V281-L307 HydrophobicContact CG2-CD1 4.32Å
282S89.1Confident88.1Confident33 Ų3326.3 Ų26.323%0.23115%0.153CC..Hα-helixtrans-62.4-39.7178.3-68.60000112.7S278 V279 R284 Y285 L286S278-S282 VanDerWaalsContact O-CB 3.31Å; S278-S282 WeakPolarHBondContact O-CB 3.48Å; S278-S282 PolarHBondContact O-N 3.16Å; S278-S282 PolarHBondContact O-OG 3.48Å; S278-S282 VanDerWaalsContact O-OG 3.12Å; V279-S282 PolarHBondContact O-N 3.04Å; S282-R284 VanDerWaalsContact C-N 3.33Å; S282-R284 PolarHBondContact O-N 2.9Å; S282-Y285 PolarHBondContact O-N 3.25Å; S282-L286 PolarHBondContact O-N 3.27Å
283L88.3Confident87.1Confident5 Ų526.2 Ų26.23%0.02615%0.153CC..Hα-helixtrans-65.3-37.9176.4-173.368.5000111.6L20 A78 Y101 V279 V281 L286 Q287L20-L283 HydrophobicContact CD2-CB 3.92Å; L20-L283 HydrophobicContact CD2-CD1 3.91Å; A78-L283 HydrophobicContact CB-CD2 4.4Å; Y101-L283 HydrophobicContact CD1-CD2 4.09Å; Y101-L283 HydrophobicContact CE1-CD2 3.36Å; V279-L283 WeakPolarHBondContact O-CB 3.2Å; V279-L283 PolarHBondContact O-N 3.45Å; V281-L283 VanDerWaalsContact C-N 3.35Å; V281-L283 PolarHBondContact O-N 2.94Å; L283-L286 PolarHBondContact O-N 3.2Å; L283-Q287 WeakPolarHBondContact O-CB 3.45Å; L283-Q287 PolarHBondContact O-N 3.24Å
284R88.9Confident85.8Confident23 Ų2326.9 Ų26.99%0.08716%0.164CC..Hα-helixtrans-64.5-40.6175.7-173.859178.3164.26.2112.2L280 V281 S282 Q287 T288 L307L280-R284 WeakPolarHBondContact O-CB 3.39Å; L280-R284 PolarHBondContact O-N 3.28Å; V281-R284 WeakPolarHBondContact O-CB 3.45Å; V281-R284 PolarHBondContact O-N 3.49Å; S282-R284 VanDerWaalsContact C-N 3.33Å; S282-R284 PolarHBondContact O-N 2.9Å; R284-Q287 VanDerWaalsContact NH1-OE1 3.11Å; R284-Q287 PolarHBondContact O-N 2.85Å; R284-T288 PolarHBondContact O-N 3.25Å; R284-T288 VanDerWaalsContact O-N 3.09Å; R284-T288 PolarHBondContact O-OG1 3.27Å; R284-L307 HydrophobicContact CB-CD1 4.11Å; R284-L307 HydrophobicContact CG-CD1 3.98Å; R284-L307 PolarHBondContact NE-O 3.11Å
285Y86.2Confident84.3Confident18 Ų1825.9 Ų25.97%0.07118%0.18CC..Hα-helixtrans-62.8-44.2172.9-83.1-65.8000112.3M4 M6 F8 V281 S282 T288 A289 L307M4-Y285 WeakPolarHBondContact CB-OH 3.41Å; M4-Y285 VanDerWaalsContact O-CE1 3.3Å; M4-Y285 WeakPolarHBondContact O-CE1 3.35Å; M4-Y285 PolarHBondContact O-OH 3.08Å; M6-Y285 HydrophobicContact CE-CD1 3.88Å; M6-Y285 HydrophobicContact CE-CD2 4.22Å; M6-Y285 HydrophobicContact CE-CE1 3.39Å; M6-Y285 HydrophobicContact CE-CE2 3.77Å; M6-Y285 HydrophobicContact CE-CG 4.27Å; F8-Y285 AromaticContact CE2-CD1 3.98Å; F8-Y285 HydrophobicContact CE2-CD1 3.98Å; F8-Y285 HydrophobicContact CZ-CD1 4.23Å; F8-Y285 HydrophobicContact CZ-CG 4.43Å; V281-Y285 HydrophobicContact CG1-CD2 3.88Å; V281-Y285 HydrophobicContact CG1-CE2 3.68Å; V281-Y285 WeakPolarHBondContact O-CD2 3.46Å; V281-Y285 PolarHBondContact O-N 3.42Å; V281-Y285 VanDerWaalsContact O-N 3.08Å; S282-Y285 PolarHBondContact O-N 3.25Å; Y285-T288 PolarHBondContact O-OG1 2.9Å; Y285-A289 VanDerWaalsContact O-CB 3.27Å; Y285-A289 WeakPolarHBondContact O-CB 3.43Å; Y285-A289 PolarHBondContact O-N 2.76Å; Y285-A289 VanDerWaalsContact O-N 3.08Å; Y285-L307 HydrophobicContact CE2-CD1 4.47Å
286L84.2Confident83.2Confident4 Ų427.9 Ų27.92%0.02119%0.186CC..Hα-helixtrans-64.5-43.8177.7-175.163.4000111.3L16 A17 L20 A85 S282 L283 A289 M290L16-L286 HydrophobicContact CD2-CB 4.23Å; L16-L286 HydrophobicContact CD2-CD1 4.38Å; A17-L286 HydrophobicContact CB-CD1 4.22Å; A17-L286 HydrophobicContact CB-CD2 4Å; L20-L286 HydrophobicContact CD2-CD2 4.14Å; A85-L286 HydrophobicContact CB-CD2 4.1Å; S282-L286 PolarHBondContact O-N 3.27Å; L283-L286 PolarHBondContact O-N 3.2Å; L286-A289 PolarHBondContact O-N 2.74Å; L286-M290 HydrophobicContact CD1-CG 4.02Å; L286-M290 HydrophobicContact CG-CG 4.3Å; L286-M290 WeakPolarHBondContact O-CB 3.34Å; L286-M290 WeakPolarHBondContact O-CG 3.31Å; L286-M290 PolarHBondContact O-N 3.31Å
287Q84.6Confident81.8Confident3 Ų337.4 Ų37.41%0.01423%0.23CC..Hα-helixtrans-55.3-56.8177174.5-176.7-0.500111.6L98 L283 R284 A289 M290 E291L98-Q287 HydrophobicContact CB-CG 4.24Å; L98-Q287 HydrophobicContact CD1-CG 4.04Å; L98-Q287 HydrophobicContact CD2-CB 4.09Å; L98-Q287 HydrophobicContact CD2-CG 3.96Å; L98-Q287 HydrophobicContact CG-CG 4.32Å; L283-Q287 WeakPolarHBondContact O-CB 3.45Å; L283-Q287 PolarHBondContact O-N 3.24Å; R284-Q287 VanDerWaalsContact NH1-OE1 3.11Å; R284-Q287 PolarHBondContact O-N 2.85Å; Q287-A289 VanDerWaalsContact C-N 3.32Å; Q287-A289 PolarHBondContact O-N 2.82Å; Q287-M290 PolarHBondContact O-N 3.19Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.38Å; Q287-E291 PolarHBondContact NE2-OE1 2.92Å; Q287-E291 WeakPolarHBondContact O-CG 3.36Å; Q287-E291 PolarHBondContact O-N 3.21Å
288T84.5Confident80.7Confident3 Ų341.5 Ų41.52%0.01825%0.249CC..Hα-helixtrans-66-36.2-174.948.90000112R284 Y285 G305 Y306R284-T288 PolarHBondContact O-N 3.25Å; R284-T288 VanDerWaalsContact O-N 3.09Å; R284-T288 PolarHBondContact O-OG1 3.27Å; Y285-T288 PolarHBondContact O-OG1 2.9Å; T288-G305 WeakPolarHBondContact OG1-CA 2.7Å; T288-Y306 HydrophobicContact CG2-CD1 4.3Å; T288-Y306 HydrophobicContact CG2-CD2 3.99Å; T288-Y306 HydrophobicContact CG2-CE1 4.05Å; T288-Y306 HydrophobicContact CG2-CE2 3.73Å; T288-Y306 HydrophobicContact CG2-CG 4.27Å; T288-Y306 WeakPolarHBondContact CG2-O 3.37Å; T288-Y306 PolarHBondContact OG1-N 2.97Å; T288-Y306 PolarHBondContact OG1-O 3.46Å; T288-Y306 VanDerWaalsContact OG1-O 3.11Å
289A83.6Confident79.6Confident1 Ų142.1 Ų42.11%0.00825%0.251CS..Hα-helixtrans-65.8-39.717400000112.5F8 Y285 L286 Q287 T303F8-A289 HydrophobicContact CD2-CB 4.22Å; Y285-A289 VanDerWaalsContact O-CB 3.27Å; Y285-A289 WeakPolarHBondContact O-CB 3.43Å; Y285-A289 PolarHBondContact O-N 2.76Å; Y285-A289 VanDerWaalsContact O-N 3.08Å; L286-A289 PolarHBondContact O-N 2.74Å; Q287-A289 VanDerWaalsContact C-N 3.32Å; Q287-A289 PolarHBondContact O-N 2.82Å; A289-T303 VanDerWaalsContact O-CB 3.32Å; A289-T303 WeakPolarHBondContact O-CB 3.23Å; A289-T303 PolarHBondContact O-OG1 3.18Å
290M78.4Confident78.7Confident17 Ų1749.4 Ų49.48%0.08429%0.285CS..Hα-helixtrans-76.7-30.2-179.2-70.5-64.4-66.100113.1A85 F91 L286 Q287 A292 V293 A294A85-M290 WeakPolarHBondContact O-CE 3.34Å; F91-M290 HydrophobicContact CB-CE 4.23Å; F91-M290 HydrophobicContact CD1-CB 3.84Å; F91-M290 HydrophobicContact CD1-CE 4.22Å; F91-M290 HydrophobicContact CD2-CB 4.41Å; F91-M290 HydrophobicContact CD2-CE 4.32Å; F91-M290 HydrophobicContact CE1-CB 3.28Å; F91-M290 HydrophobicContact CE1-CG 4.37Å; F91-M290 HydrophobicContact CE2-CB 3.91Å; F91-M290 HydrophobicContact CE2-CG 4.21Å; F91-M290 HydrophobicContact CG-CB 4.37Å; F91-M290 HydrophobicContact CG-CE 3.99Å; F91-M290 HydrophobicContact CZ-CB 3.32Å; F91-M290 HydrophobicContact CZ-CG 4.11Å; L286-M290 HydrophobicContact CD1-CG 4.02Å; L286-M290 HydrophobicContact CG-CG 4.3Å; L286-M290 WeakPolarHBondContact O-CB 3.34Å; L286-M290 WeakPolarHBondContact O-CG 3.31Å; L286-M290 PolarHBondContact O-N 3.31Å; Q287-M290 PolarHBondContact O-N 3.19Å; M290-A292 PolarHBondContact O-N 2.7Å; M290-V293 WeakPolarHBondContact O-CB 3.49Å; M290-V293 PolarHBondContact O-N 3.38Å; M290-A294 PolarHBondContact O-N 3.14Å
291E78.8Confident77.8Confident48 Ų4852 Ų5222%0.22430%0.299CS..Hα-helixtrans-59.8-32.5173-79.6172.7-169.500112.4Q287 V293 A294Q287-E291 WeakPolarHBondContact CG-OE1 3.38Å; Q287-E291 PolarHBondContact NE2-OE1 2.92Å; Q287-E291 WeakPolarHBondContact O-CG 3.36Å; Q287-E291 PolarHBondContact O-N 3.21Å; E291-V293 VanDerWaalsContact C-N 3.3Å; E291-V293 PolarHBondContact O-N 2.82Å; E291-A294 PolarHBondContact O-N 3.26Å
292A75.5Confident77.2Confident48 Ų4855.1 Ų55.140%0.39731%0.309SS..THydrogen-bonded Turntrans-71.9-20.5175.100000113.7M290 Q296 T303M290-A292 PolarHBondContact O-N 2.7Å; A292-Q296 PolarHBondContact O-OE1 3.42Å; A292-T303 HydrophobicContact CB-CG2 3.68Å
293V73.5Confident76.8Confident12 Ų1253.7 Ų53.77%0.07330%0.299CS..THydrogen-bonded Turntrans-84.8-28.2175.2-170.90000111.6M290 E291 G295 Q296 T299 T303M290-V293 WeakPolarHBondContact O-CB 3.49Å; M290-V293 PolarHBondContact O-N 3.38Å; E291-V293 VanDerWaalsContact C-N 3.3Å; E291-V293 PolarHBondContact O-N 2.82Å; V293-G295 PolarHBondContact O-N 3.06Å; V293-Q296 PolarHBondContact O-N 3.04Å; V293-Q296 VanDerWaalsContact O-N 3.09Å; V293-T299 HydrophobicContact CG1-CG2 4.29Å; V293-T303 HydrophobicContact CG2-CG2 3.59Å
294A67.4Low76.5Confident43 Ų4357.3 Ų57.336%0.35532%0.316SS..THydrogen-bonded Turntrans-63.2107.9-172.500000111.4M290 E291M290-A294 PolarHBondContact O-N 3.14Å; E291-A294 PolarHBondContact O-N 3.26Å
295G64.3Low76.1Confident87 Ų8756.2 Ų56.290%0.89731%0.312SS*.THydrogen-bonded Turntrans107.21.2179.900000115.1V293V293-G295 PolarHBondContact O-N 3.06Å
296Q70.1Confident75.8Confident91 Ų9157.5 Ų57.543%0.42532%0.317SS..  trans-95.5138.8172-65.8-176.3-34.600111.1A292 V293 N298 I301A292-Q296 PolarHBondContact O-OE1 3.42Å; V293-Q296 PolarHBondContact O-N 3.04Å; V293-Q296 VanDerWaalsContact O-N 3.09Å; Q296-N298 VanDerWaalsContact C-N 3.31Å; Q296-I301 HydrophobicContact CB-CD1 4.12Å; Q296-I301 VanDerWaalsContact CD-CD1 3.5Å; Q296-I301 HydrophobicContact CG-CD1 4.33Å
297E62.3Low75.4Confident202 Ų20259.1 Ų59.194%0.94433%0.325SS*.SBendtrans-67-31.1174.8-85.4-179149.700112.5
298N70.5Confident74.8Confident119 Ų11960.3 Ų60.364%0.63633%0.332SS*.  trans-97.2111.3177.4-79.9-27.1000111.1Q296 E300 I301Q296-N298 VanDerWaalsContact C-N 3.31Å; N298-E300 VanDerWaalsContact C-N 3.3Å; N298-E300 PolarHBondContact O-N 2.85Å; N298-I301 HydrophobicContact CB-CD1 3.89Å; N298-I301 HydrophobicContact CB-CG1 4.06Å; N298-I301 WeakPolarHBondContact O-CD1 3.46Å; N298-I301 WeakPolarHBondContact O-CG1 2.97Å
299T67.4Low73.9Confident58 Ų5865.3 Ų65.336%0.35636%0.355SS..THydrogen-bonded Turntrans-78.5-12.9179.448.40000113.9R13 A88 V293 I301R13-T299 PolarHBondContact NH2-O 3.2Å; A88-T299 HydrophobicContact CB-CG2 3.67Å; V293-T299 HydrophobicContact CG1-CG2 4.29Å; T299-I301 VanDerWaalsContact C-N 3.27Å; T299-I301 PolarHBondContact O-N 2.62Å
300E72.6Confident73.3Confident153 Ų15368.9 Ų68.972%0.71537%0.37SS*.THydrogen-bonded Turntrans-87.920.1-176.9-62-173.2172.800114F10 N298F10-E300 HydrophobicContact CG-CG 4.43Å; N298-E300 VanDerWaalsContact C-N 3.3Å; N298-E300 PolarHBondContact O-N 2.85Å
301I73.9Confident72.7Confident62 Ų6269 Ų6932%0.31838%0.376SS..  trans-80.2146-178.7-62.9169000110.6R13 Q296 N298 T299 T303R13-I301 VanDerWaalsContact CZ-O 3.28Å; R13-I301 PolarHBondContact NH1-O 3.11Å; R13-I301 PolarHBondContact NH2-O 3.49Å; Q296-I301 HydrophobicContact CB-CD1 4.12Å; Q296-I301 VanDerWaalsContact CD-CD1 3.5Å; Q296-I301 HydrophobicContact CG-CD1 4.33Å; N298-I301 HydrophobicContact CB-CD1 3.89Å; N298-I301 HydrophobicContact CB-CG1 4.06Å; N298-I301 WeakPolarHBondContact O-CD1 3.46Å; N298-I301 WeakPolarHBondContact O-CG1 2.97Å; T299-I301 VanDerWaalsContact C-N 3.27Å; T299-I301 PolarHBondContact O-N 2.62Å; I301-T303 PolarHBondContact O-N 3.05Å
302E77.6Confident72Confident127 Ų12770.6 Ų70.659%0.59339%0.389SS*.  trans-67.1123.2168.5-71.6-161.2149.300110.5
303T79.7Confident71.6Confident4 Ų476.4 Ų76.43%0.02541%0.405CS..EExtended strand (participates in β ladder)trans-118.7157.1-179.852.30000112.4F8 R13 A289 A292 V293 I301F8-T303 PolarHBondContact N-O 3.46Å; F8-T303 PolarHBondContact O-N 2.94Å; F8-T303 VanDerWaalsContact O-N 3.16Å; F8-T303 PolarHBondContact O-OG1 3.13Å; R13-T303 WeakPolarHBondContact CD-OG1 3.18Å; R13-T303 PolarHBondContact NH1-OG1 2.76Å; A289-T303 VanDerWaalsContact O-CB 3.32Å; A289-T303 WeakPolarHBondContact O-CB 3.23Å; A289-T303 PolarHBondContact O-OG1 3.18Å; A292-T303 HydrophobicContact CB-CG2 3.68Å; V293-T303 HydrophobicContact CG2-CG2 3.59Å; I301-T303 PolarHBondContact O-N 3.05Å
304E82.9Confident71.3Confident81 Ų8181.3 Ų81.338%0.37943%0.427SS..EExtended strand (participates in β ladder)trans-103.7124.7-178.7-55.2-176.4136.800109.6K5 M6K5-E304 WeakPolarHBondContact CE-OE1 3.46Å; K5-E304 WeakPolarHBondContact CE-OE2 3.34Å; K5-E304 IonicContact NZ-OE1 4Å; K5-E304 PolarHBondContact NZ-OE1 3.09Å; K5-E304 IonicContact NZ-OE2 2.76Å; K5-E304 PolarHBondContact NZ-OE2 3.35Å; M6-E304 WeakPolarHBondContact O-CA 3.36Å
305G80.1Confident71.3Confident0 Ų080.3 Ų80.30%042%0.417CS..EExtended strand (participates in β ladder)trans-105.7143.317200000110.5M6 T288M6-G305 PolarHBondContact N-O 3.43Å; M6-G305 PolarHBondContact O-N 2.94Å; T288-G305 WeakPolarHBondContact OG1-CA 2.7Å
306Y80.8Confident71.5Confident44 Ų4481 Ų8117%0.17340%0.399CS..  trans-147.1155.2-17955.5-90.1000111.5V2 T288 E309V2-Y306 HydrophobicContact CG1-CD1 4.06Å; V2-Y306 HydrophobicContact CG1-CD2 3.86Å; V2-Y306 HydrophobicContact CG1-CG 3.47Å; V2-Y306 VanDerWaalsContact CG1-CG 3.47Å; T288-Y306 HydrophobicContact CG2-CD1 4.3Å; T288-Y306 HydrophobicContact CG2-CD2 3.99Å; T288-Y306 HydrophobicContact CG2-CE1 4.05Å; T288-Y306 HydrophobicContact CG2-CE2 3.73Å; T288-Y306 HydrophobicContact CG2-CG 4.27Å; T288-Y306 WeakPolarHBondContact CG2-O 3.37Å; T288-Y306 PolarHBondContact OG1-N 2.97Å; T288-Y306 PolarHBondContact OG1-O 3.46Å; T288-Y306 VanDerWaalsContact OG1-O 3.11Å; Y306-E309 HydrophobicContact CD2-CB 4.49Å; Y306-E309 HydrophobicContact CE2-CB 3.8Å; Y306-E309 HydrophobicContact CE2-CG 4.06Å
307L75.6Confident71.4Confident38 Ų3882.2 Ų82.220%0.19941%0.406CS..SBendtrans-84.4-47.3-178.2-168.267.2000111.4L3 V281 R284 Y285L3-L307 PolarHBondContact O-N 2.86Å; V281-L307 HydrophobicContact CB-CD1 4.48Å; V281-L307 HydrophobicContact CG1-CD1 4.15Å; V281-L307 HydrophobicContact CG2-CD1 4.32Å; R284-L307 HydrophobicContact CB-CD1 4.11Å; R284-L307 HydrophobicContact CG-CD1 3.98Å; R284-L307 PolarHBondContact NE-O 3.11Å; Y285-L307 HydrophobicContact CE2-CD1 4.47Å
308L71.1Confident71.7Confident29 Ų2977.5 Ų77.515%0.15238%0.384CS..BIsolated β-bridgetrans-129.2132.5-179.4-66.7162.9000110.2L3 K310 V312 T315L3-L308 HydrophobicContact CB-CB 4.24Å; L3-L308 HydrophobicContact CD1-CD1 4.36Å; L3-L308 PolarHBondContact N-O 3Å; L3-L308 VanDerWaalsContact N-O 3.12Å; L308-K310 WeakPolarHBondContact CB-O 3.48Å; L308-V312 HydrophobicContact CD1-CG2 3.75Å; L308-T315 HydrophobicContact CD2-CG2 3.82Å
309E66.3Low71.5Confident107 Ų10777 Ų7750%0.537%0.374SS..SBendtrans-74.3-33.1176.5-161.3178.416600111.5Y306Y306-E309 HydrophobicContact CD2-CB 4.49Å; Y306-E309 HydrophobicContact CE2-CB 3.8Å; Y306-E309 HydrophobicContact CE2-CG 4.06Å
310K70.4Confident71.6Confident76 Ų7677.6 Ų77.633%0.3338%0.377SS..SBendtrans-121.1174.3-177.7-62.2180-170.2166.80111.3L308 E314 E318L308-K310 WeakPolarHBondContact CB-O 3.48Å; K310-E314 HydrophobicContact CB-CB 4.12Å; K310-E318 IonicContact NZ-OE1 3.84Å; K310-E318 PolarHBondContact NZ-OE1 3.13Å; K310-E318 IonicContact NZ-OE2 3.42Å; K310-E318 PolarHBondContact NZ-OE2 3.46Å
311G66.7Low71.5Confident19 Ų1973.6 Ų73.620%0.19636%0.363CS..  trans-60.3155.217400000112.4K313 E314 T315G311-K313 VanDerWaalsContact C-N 3.28Å; G311-K313 PolarHBondContact O-N 2.74Å; G311-E314 PolarHBondContact N-OE2 3.1Å; G311-E314 PolarHBondContact O-N 2.72Å; G311-T315 PolarHBondContact O-N 2.61Å; G311-T315 PolarHBondContact O-OG1 2.67Å
312V64.3Low71.5Confident83 Ų8374.3 Ų74.350%0.50337%0.372SS..Hα-helixtrans-55-44.6178.9179.50000111.2L3 L308 T315 I316L3-V312 HydrophobicContact CD1-CG2 4.28Å; L308-V312 HydrophobicContact CD1-CG2 3.75Å; V312-T315 PolarHBondContact O-N 3.04Å; V312-I316 HydrophobicContact CG1-CD1 3.82Å; V312-I316 VanDerWaalsContact O-CG1 3.27Å; V312-I316 WeakPolarHBondContact O-CG1 3.35Å; V312-I316 PolarHBondContact O-N 3.01Å
313K65.8Low71.2Confident169 Ų16972.2 Ų72.274%0.73537%0.368SS*.Hα-helixtrans-63.6-42179.4-171.7-180179.5-176.50112.6G311 M317G311-K313 VanDerWaalsContact C-N 3.28Å; G311-K313 PolarHBondContact O-N 2.74Å; K313-M317 PolarHBondContact O-N 3.13Å
314E67.8Low70.7Confident115 Ų11576.3 Ų76.354%0.53739%0.389SS..Hα-helixtrans-68.2-42.2-179.7-66.1166.8170.600110.8K310 G311 M317 E318K310-E314 HydrophobicContact CB-CB 4.12Å; G311-E314 PolarHBondContact N-OE2 3.1Å; G311-E314 PolarHBondContact O-N 2.72Å; E314-M317 PolarHBondContact O-N 3.15Å; E314-E318 WeakPolarHBondContact O-CB 3.27Å; E314-E318 PolarHBondContact O-N 3.13Å
315T68.1Low70.2Confident22 Ų2275.8 Ų75.814%0.13539%0.391CS..Hα-helixtrans-65.1-43.4177.3-48.70000111.1L308 G311 V312 M317 E318 Y319L308-T315 HydrophobicContact CD2-CG2 3.82Å; G311-T315 PolarHBondContact O-N 2.61Å; G311-T315 PolarHBondContact O-OG1 2.67Å; V312-T315 PolarHBondContact O-N 3.04Å; T315-M317 PolarHBondContact O-N 3.31Å; T315-E318 PolarHBondContact O-N 3.34Å; T315-Y319 HydrophobicContact CG2-CD2 4.03Å; T315-Y319 HydrophobicContact CG2-CE2 4.06Å; T315-Y319 WeakPolarHBondContact O-CD2 3.44Å; T315-Y319 PolarHBondContact O-N 3.42Å; T315-Y319 VanDerWaalsContact O-N 3.14Å
316I67.6Low69.9Low101 Ų10182.4 Ų82.452%0.51842%0.42SS..Hα-helixtrans-62.1-45.1176.4-68.8168.8000110.6V312 E318 Y319 V320V312-I316 HydrophobicContact CG1-CD1 3.82Å; V312-I316 VanDerWaalsContact O-CG1 3.27Å; V312-I316 WeakPolarHBondContact O-CG1 3.35Å; V312-I316 PolarHBondContact O-N 3.01Å; I316-E318 VanDerWaalsContact C-N 3.34Å; I316-E318 PolarHBondContact O-N 3.15Å; I316-Y319 PolarHBondContact O-N 2.92Å; I316-V320 HydrophobicContact CG2-CG2 3.88Å; I316-V320 VanDerWaalsContact O-CB 3.29Å; I316-V320 WeakPolarHBondContact O-CB 3.34Å; I316-V320 WeakPolarHBondContact O-CG2 3.47Å; I316-V320 PolarHBondContact O-N 2.77Å
317M68.4Low69.1Low117 Ų11785.2 Ų85.258%0.57644%0.437SS*.Hα-helixtrans-60.8-42.9176.3-87.5-165.676.500112.1K313 E314 T315 Y319 V320 T321K313-M317 PolarHBondContact O-N 3.13Å; E314-M317 PolarHBondContact O-N 3.15Å; T315-M317 PolarHBondContact O-N 3.31Å; M317-Y319 VanDerWaalsContact C-N 3.29Å; M317-Y319 PolarHBondContact O-N 3.38Å; M317-V320 PolarHBondContact O-N 3.48Å; M317-T321 VanDerWaalsContact O-CB 3.27Å; M317-T321 WeakPolarHBondContact O-CB 3.36Å; M317-T321 PolarHBondContact O-N 2.73Å; M317-T321 PolarHBondContact O-OG1 3.08Å
318E69Low68.8Low103 Ų10388 Ų8848%0.48145%0.45SS..Hα-helixtrans-62.7-34.2-179.3-170.5166.3-16000112.9K310 E314 T315 I316 P322K310-E318 IonicContact NZ-OE1 3.84Å; K310-E318 PolarHBondContact NZ-OE1 3.13Å; K310-E318 IonicContact NZ-OE2 3.42Å; K310-E318 PolarHBondContact NZ-OE2 3.46Å; E314-E318 WeakPolarHBondContact O-CB 3.27Å; E314-E318 PolarHBondContact O-N 3.13Å; T315-E318 PolarHBondContact O-N 3.34Å; I316-E318 VanDerWaalsContact C-N 3.34Å; I316-E318 PolarHBondContact O-N 3.15Å; E318-P322 WeakPolarHBondContact O-CD 3.21Å; E318-P322 WeakPolarHBondContact O-CG 3.4Å
319Y65.6Low68Low109 Ų10992.1 Ų92.143%0.42747%0.471SS..Hα-helixtrans-83.2-37.3174.8-84.3-88.8000113.7T315 I316 M317 V323T315-Y319 HydrophobicContact CG2-CD2 4.03Å; T315-Y319 HydrophobicContact CG2-CE2 4.06Å; T315-Y319 WeakPolarHBondContact O-CD2 3.44Å; T315-Y319 PolarHBondContact O-N 3.42Å; T315-Y319 VanDerWaalsContact O-N 3.14Å; I316-Y319 PolarHBondContact O-N 2.92Å; M317-Y319 VanDerWaalsContact C-N 3.29Å; M317-Y319 PolarHBondContact O-N 3.38Å; Y319-V323 WeakPolarHBondContact O-CG2 3.44Å
320V69Low67.4Low71 Ų7192.8 Ų92.843%0.4348%0.478SS..Hα-helixtrans-74.5-38.8-177.1171.60000111.5I316 M317 V323 L324I316-V320 HydrophobicContact CG2-CG2 3.88Å; I316-V320 VanDerWaalsContact O-CB 3.29Å; I316-V320 WeakPolarHBondContact O-CB 3.34Å; I316-V320 WeakPolarHBondContact O-CG2 3.47Å; I316-V320 PolarHBondContact O-N 2.77Å; M317-V320 PolarHBondContact O-N 3.48Å; V320-V323 PolarHBondContact O-N 3.45Å; V320-L324 HydrophobicContact CG1-CD1 4.11Å; V320-L324 VanDerWaalsContact O-CB 3.32Å; V320-L324 WeakPolarHBondContact O-CB 3.41Å; V320-L324 PolarHBondContact O-N 3.06Å
321T71.9Confident66.4Low69 Ų6995.8 Ų95.842%0.42349%0.493SS..Hα-helixtrans-56.7-51.2-176.6-51.60000113.4M317 V323 L324 V325M317-T321 VanDerWaalsContact O-CB 3.27Å; M317-T321 WeakPolarHBondContact O-CB 3.36Å; M317-T321 PolarHBondContact O-N 2.73Å; M317-T321 PolarHBondContact O-OG1 3.08Å; T321-V323 PolarHBondContact O-N 2.97Å; T321-L324 PolarHBondContact O-N 3.45Å; T321-V325 VanDerWaalsContact O-CG2 3.27Å; T321-V325 WeakPolarHBondContact O-CG2 3.37Å; T321-V325 PolarHBondContact O-N 2.95Å
322P73.1Confident65.6Low76 Ų7699.4 Ų99.449%0.49451%0.512SS..Hα-helixtrans-67.2-32.9178.323.9-32.1000113.2E318 F326E318-P322 WeakPolarHBondContact O-CD 3.21Å; E318-P322 WeakPolarHBondContact O-CG 3.4Å; P322-F326 WeakPolarHBondContact O-CB 3.37Å; P322-F326 PolarHBondContact O-N 2.79Å
323V70.8Confident64.6Low84 Ų8498.4 Ų98.451%0.50952%0.518SS..Hα-helixtrans-67.4-40.9174.6174.80000110.9Y319 V320 T321 F326 L327Y319-V323 WeakPolarHBondContact O-CG2 3.44Å; V320-V323 PolarHBondContact O-N 3.45Å; T321-V323 PolarHBondContact O-N 2.97Å; V323-F326 PolarHBondContact O-N 3.25Å; V323-L327 HydrophobicContact CG1-CD1 3.98Å; V323-L327 WeakPolarHBondContact O-CB 3.37Å; V323-L327 WeakPolarHBondContact O-CG 3.32Å; V323-L327 PolarHBondContact O-N 2.99Å
324L70Confident63.3Low89 Ų8994.6 Ų94.647%0.46651%0.512SS..Hα-helixtrans-67-41178.2-149.9118.4000111.1V320 T321 L327 Q328V320-L324 HydrophobicContact CG1-CD1 4.11Å; V320-L324 VanDerWaalsContact O-CB 3.32Å; V320-L324 WeakPolarHBondContact O-CB 3.41Å; V320-L324 PolarHBondContact O-N 3.06Å; T321-L324 PolarHBondContact O-N 3.45Å; L324-L327 PolarHBondContact O-N 3.49Å; L324-Q328 WeakPolarHBondContact O-CB 3.32Å; L324-Q328 VanDerWaalsContact O-CG 3.26Å; L324-Q328 WeakPolarHBondContact O-CG 3.23Å; L324-Q328 PolarHBondContact O-N 3.36Å
325V72.6Confident61.8Low70 Ų7097 Ų9742%0.42452%0.524SS..Hα-helixtrans-64.3-41.9174.31700000111.5T321 Q328 L329T321-V325 VanDerWaalsContact O-CG2 3.27Å; T321-V325 WeakPolarHBondContact O-CG2 3.37Å; T321-V325 PolarHBondContact O-N 2.95Å; V325-Q328 PolarHBondContact O-N 2.86Å; V325-L329 HydrophobicContact CG1-CD1 4.06Å; V325-L329 WeakPolarHBondContact O-CB 3.48Å; V325-L329 PolarHBondContact O-N 2.89Å
326F72.9Confident60.4Low139 Ų139102.8 Ų102.861%0.6155%0.554SS**Hα-helixtrans-64.1-41.1174.9-177.6-97.2000112.3P322 V323 L329 N330P322-F326 WeakPolarHBondContact O-CB 3.37Å; P322-F326 PolarHBondContact O-N 2.79Å; V323-F326 PolarHBondContact O-N 3.25Å; F326-L329 PolarHBondContact O-N 3.35Å; F326-N330 PolarHBondContact O-N 3.46Å
327L65.3Low58.8Low103 Ų103102.4 Ų102.454%0.53957%0.566SS.*Hα-helixtrans-66.9-36.3175-75.1167.1000112.4V323 L324 N330 Q331V323-L327 HydrophobicContact CG1-CD1 3.98Å; V323-L327 WeakPolarHBondContact O-CB 3.37Å; V323-L327 WeakPolarHBondContact O-CG 3.32Å; V323-L327 PolarHBondContact O-N 2.99Å; L324-L327 PolarHBondContact O-N 3.49Å; L327-N330 PolarHBondContact O-N 3.3Å; L327-Q331 PolarHBondContact O-N 3.11Å
328Q68.6Low57.3Low98 Ų98106 Ų10646%0.45858%0.581SS.*Hα-helixtrans-70.9-37175.1-76.9177.5-23.300112.6L324 V325 N330 Q331 V332L324-Q328 WeakPolarHBondContact O-CB 3.32Å; L324-Q328 VanDerWaalsContact O-CG 3.26Å; L324-Q328 WeakPolarHBondContact O-CG 3.23Å; L324-Q328 PolarHBondContact O-N 3.36Å; V325-Q328 PolarHBondContact O-N 2.86Å; Q328-N330 PolarHBondContact O-N 3.37Å; Q328-Q331 WeakPolarHBondContact O-CA 3.29Å; Q328-Q331 WeakPolarHBondContact O-CB 3.42Å; Q328-Q331 PolarHBondContact O-N 2.84Å; Q328-V332 PolarHBondContact O-N 3.15Å; Q328-V332 VanDerWaalsContact O-N 3.07Å
329L54.5Low55.8Low114 Ų114105.9 Ų105.960%0.59760%0.598SS**Hα-helixtrans-58.7-34.9173.3-89.5156.7000112.1V325 F326 Q331 G333V325-L329 HydrophobicContact CG1-CD1 4.06Å; V325-L329 WeakPolarHBondContact O-CB 3.48Å; V325-L329 PolarHBondContact O-N 2.89Å; F326-L329 PolarHBondContact O-N 3.35Å; L329-Q331 VanDerWaalsContact C-N 3.3Å; L329-Q331 PolarHBondContact O-N 3.43Å; L329-G333 PolarHBondContact O-N 3.17Å
330N52.3Low54.5Low121 Ų121104.2 Ų104.265%0.64761%0.614SS**Hα-helixtrans-71.9-19173.1-100.910.9000114.1F326 L327 Q328F326-N330 PolarHBondContact O-N 3.46Å; L327-N330 PolarHBondContact O-N 3.3Å; Q328-N330 PolarHBondContact O-N 3.37Å
331Q51.1Low52.8Low139 Ų139110.2 Ų110.265%0.6564%0.637SS**Hα-helixtrans-86.5-32.2174.5-71.8-175.4-27.800112.5L327 Q328 L329 S334L327-Q331 PolarHBondContact O-N 3.11Å; Q328-Q331 WeakPolarHBondContact O-CA 3.29Å; Q328-Q331 WeakPolarHBondContact O-CB 3.42Å; Q328-Q331 PolarHBondContact O-N 2.84Å; L329-Q331 VanDerWaalsContact C-N 3.3Å; L329-Q331 PolarHBondContact O-N 3.43Å; Q331-S334 PolarHBondContact O-OG 2.88Å; Q331-S334 VanDerWaalsContact O-OG 3.09Å
332V49.4Very low51.2Low96 Ų96113.5 Ų113.558%0.58266%0.657SS**Hα-helixtrans-75.9-26.6177.6-178.80000111.6Q328 S334Q328-V332 PolarHBondContact O-N 3.15Å; Q328-V332 VanDerWaalsContact O-N 3.07Å; V332-S334 VanDerWaalsContact C-N 3.28Å; V332-S334 PolarHBondContact O-N 3.49Å
333G42.4Very low49.9Very low62 Ų62116.2 Ų116.264%0.63968%0.675SS**THydrogen-bonded Turntrans-73.9-6.1178.100000116.3L329L329-G333 PolarHBondContact O-N 3.17Å
334S38.7Very low48.3Very low88 Ų88116.7 Ų116.762%0.61569%0.688SS**THydrogen-bonded Turntrans-100.4-9.7-179.552.80000115.2Q331 V332Q331-S334 PolarHBondContact O-OG 2.88Å; Q331-S334 VanDerWaalsContact O-OG 3.09Å; V332-S334 VanDerWaalsContact C-N 3.28Å; V332-S334 PolarHBondContact O-N 3.49Å
335E36.8Very low46.7Very low166 Ų166126.2 Ų126.278%0.77673%0.725SS**THydrogen-bonded Turntrans-96.8-16.7-179.3-72.2-174.815300113.8A337E335-A337 PolarHBondContact O-N 3.3Å
336D37.6Very low45.4Very low143 Ų143129 Ų12977%0.76574%0.74SS**THydrogen-bonded Turntrans-909.4-175.3-74-28.9000115
337A35.1Very low43.9Very low93 Ų93128.5 Ų128.577%0.76975%0.747SS**THydrogen-bonded Turntrans-99.8-2.3-177.300000115.6E335E335-A337 PolarHBondContact O-N 3.3Å
338E35.6Very low42.7Very low192 Ų192129.9 Ų129.990%0.89776%0.759SS**SBendtrans-112.511.7-175.9-89.6-171168.900115.8
339A37.5Very low41.2Very low102 Ų102131.8 Ų131.884%0.84378%0.776SS**  trans-117.976.317800000112.2
340G39.1Very low40.4Very low73 Ų73132.9 Ų132.975%0.75379%0.787SS**  trans-177.561.1174.400000116.5
341E33.6Very low39.6Very low198 Ų198133.7 Ų133.793%0.92580%0.797SS**  trans-153.995.6154.2-113.5173-16000110.8
342T38.5Very low38.8Very low138 Ų138133.3 Ų133.385%0.84781%0.807SS**  trans-94.8132.2159.127.90000108.6
343P45.6Very low38Very low133 Ų133136.2 Ų136.286%0.86483%0.825SS**  trans-86.5132.517432.8-28.8000110
344A37.7Very low37.6Very low94 Ų94142.3 Ų142.378%0.77784%0.84SS**  trans-113.7127.3163.800000109.5
345K35.2Very low37.5Very low288 Ų288147.3 Ų147.3100%1.25286%0.861SS**  trans83.30174.2-76.4-176.1174.6178.30118.6

Retrieved 345 of 345 residues in 2532.2 ms (Link to these results)

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