A0A077ZB07_TRITR Loading...

FMRFamide receptor

AlphaFold DB , UniProt , Accession A0A077ZB07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 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
1M68.7Low79.8Confident186 Ų18696.6 Ų96.692%0.91648%0.481SS*.  0-54.50-167.9-179.9-112.800111.1S3 R4 L5M1-S3 PolarHBondContact O-N 3.07Å; M1-R4 WeakPolarHBondContact O-CB 3.45Å; M1-R4 PolarHBondContact O-N 3.39Å; M1-R4 VanDerWaalsContact O-N 3.13Å; M1-L5 HydrophobicContact CG-CD1 4.4Å; M1-L5 PolarHBondContact O-N 3.45Å; M1-L5 VanDerWaalsContact O-N 3.13Å
2L77.7Confident80.3Confident128 Ų12890.3 Ų90.367%0.6745%0.45SS*.Hα-helixtrans-55.6-48.1178.8-173.565.6000113.9R4 L5 I6L2-R4 PolarHBondContact O-N 3.01Å; L2-L5 PolarHBondContact O-N 3.23Å; L2-I6 HydrophobicContact CD1-CD1 4.39Å; L2-I6 HydrophobicContact CG-CD1 3.92Å; L2-I6 WeakPolarHBondContact O-CG1 3.02Å; L2-I6 PolarHBondContact O-N 3.18Å
3S79.9Confident80.7Confident74 Ų7486.4 Ų86.452%0.51743%0.431SS..Hα-helixtrans-57.7-35.9176.956.60000113.4M1 N7M1-S3 PolarHBondContact O-N 3.07Å; S3-N7 PolarHBondContact O-N 3.48Å; S3-N7 PolarHBondContact O-ND2 3.34Å; S3-N7 PolarHBondContact O-OD1 3.17Å
4R76.3Confident81.5Confident144 Ų14487.1 Ų87.154%0.54344%0.436SS..Hα-helixtrans-66.8-53.1176.2-64.4-173.8179.7163.33.1109.8M1 L2 I6 N7 Q8 Y261M1-R4 WeakPolarHBondContact O-CB 3.45Å; M1-R4 PolarHBondContact O-N 3.39Å; M1-R4 VanDerWaalsContact O-N 3.13Å; L2-R4 PolarHBondContact O-N 3.01Å; R4-I6 PolarHBondContact O-N 3.35Å; R4-N7 WeakPolarHBondContact O-CB 3.34Å; R4-N7 PolarHBondContact O-N 3.48Å; R4-Q8 VanDerWaalsContact O-CG 3.25Å; R4-Q8 WeakPolarHBondContact O-CG 3.19Å; R4-Q8 PolarHBondContact O-N 3.18Å; R4-Y261 WeakPolarHBondContact CD-OH 3.38Å; R4-Y261 VanDerWaalsContact CZ-OH 3.23Å; R4-Y261 PolarHBondContact NE-OH 3.32Å; R4-Y261 PolarHBondContact NH1-OH 3.14Å
5L76.4Confident82.1Confident82 Ų8281.8 Ų81.843%0.42941%0.41SS..Hα-helixtrans-54.8-39.7177.9-70.4167000112.4M1 L2 Q8 F9M1-L5 HydrophobicContact CG-CD1 4.4Å; M1-L5 PolarHBondContact O-N 3.45Å; M1-L5 VanDerWaalsContact O-N 3.13Å; L2-L5 PolarHBondContact O-N 3.23Å; L5-Q8 PolarHBondContact O-N 3.12Å; L5-F9 WeakPolarHBondContact O-CB 3.21Å; L5-F9 PolarHBondContact O-N 3.39Å
6I80.4Confident82.6Confident82 Ų8276.8 Ų76.842%0.42139%0.385SS..Hα-helixtrans-62.8-48174.5-67.4166.7000110.9L2 R4 Q8 F9 L10L2-I6 HydrophobicContact CD1-CD1 4.39Å; L2-I6 HydrophobicContact CG-CD1 3.92Å; L2-I6 WeakPolarHBondContact O-CG1 3.02Å; L2-I6 PolarHBondContact O-N 3.18Å; R4-I6 PolarHBondContact O-N 3.35Å; I6-Q8 VanDerWaalsContact C-N 3.29Å; I6-Q8 PolarHBondContact O-N 3.05Å; I6-F9 WeakPolarHBondContact O-CB 3.25Å; I6-F9 PolarHBondContact O-N 3.24Å; I6-L10 HydrophobicContact CG2-CD1 3.86Å; I6-L10 HydrophobicContact CG2-CG 4.29Å; I6-L10 WeakPolarHBondContact O-CB 3.5Å; I6-L10 VanDerWaalsContact O-CG 3.29Å; I6-L10 WeakPolarHBondContact O-CG 3.28Å; I6-L10 PolarHBondContact O-N 3.09Å
7N84.1Confident83.2Confident105 Ų10577 Ų7756%0.56139%0.387SS*.Hα-helixtrans-62.3-37.7178-69.5-12.7000112.2S3 R4 F11S3-N7 PolarHBondContact O-N 3.48Å; S3-N7 PolarHBondContact O-ND2 3.34Å; S3-N7 PolarHBondContact O-OD1 3.17Å; R4-N7 WeakPolarHBondContact O-CB 3.34Å; R4-N7 PolarHBondContact O-N 3.48Å; N7-F11 WeakPolarHBondContact O-CB 3.13Å; N7-F11 PolarHBondContact O-N 3.4Å
8Q80.3Confident83.8Confident39 Ų3977 Ų7718%0.18239%0.387CS..Hα-helixtrans-65.4-44.8176.6-60.9-173.7-39.600111.7R4 L5 I6 F11 N12 Y264R4-Q8 VanDerWaalsContact O-CG 3.25Å; R4-Q8 WeakPolarHBondContact O-CG 3.19Å; R4-Q8 PolarHBondContact O-N 3.18Å; L5-Q8 PolarHBondContact O-N 3.12Å; I6-Q8 VanDerWaalsContact C-N 3.29Å; I6-Q8 PolarHBondContact O-N 3.05Å; Q8-F11 PolarHBondContact O-N 3.12Å; Q8-N12 VanDerWaalsContact O-CG 3.27Å; Q8-N12 PolarHBondContact O-N 3.14Å; Q8-N12 PolarHBondContact O-OD1 3.29Å; Q8-Y264 WeakPolarHBondContact CA-OH 3.36Å; Q8-Y264 HydrophobicContact CB-CE2 3.61Å; Q8-Y264 WeakPolarHBondContact CB-OH 3.45Å; Q8-Y264 VanDerWaalsContact CD-CZ 3.47Å; Q8-Y264 HydrophobicContact CG-CD1 4.46Å; Q8-Y264 HydrophobicContact CG-CD2 4.25Å; Q8-Y264 HydrophobicContact CG-CE1 3.71Å; Q8-Y264 HydrophobicContact CG-CE2 3.45Å; Q8-Y264 VanDerWaalsContact CG-CE2 3.45Å; Q8-Y264 WeakPolarHBondContact CG-OH 3.39Å; Q8-Y264 VanDerWaalsContact NE2-CE1 3.31Å; Q8-Y264 VanDerWaalsContact NE2-CE2 3.28Å
9F80.6Confident84.4Confident70 Ų7072.9 Ų72.931%0.30737%0.367SS..Hα-helixtrans-60.5-48.6175.9176.4-120.5000112.1L5 I6 F11 N12 I13 Y76L5-F9 WeakPolarHBondContact O-CB 3.21Å; L5-F9 PolarHBondContact O-N 3.39Å; I6-F9 WeakPolarHBondContact O-CB 3.25Å; I6-F9 PolarHBondContact O-N 3.24Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 3.28Å; F9-N12 PolarHBondContact O-N 2.93Å; F9-I13 HydrophobicContact CD1-CD1 3.92Å; F9-I13 HydrophobicContact CD2-CD1 3.79Å; F9-I13 HydrophobicContact CD2-CG1 4.31Å; F9-I13 HydrophobicContact CE1-CD1 3.43Å; F9-I13 VanDerWaalsContact CE1-CD1 3.43Å; F9-I13 HydrophobicContact CE2-CD1 3.34Å; F9-I13 HydrophobicContact CE2-CG1 4.09Å; F9-I13 HydrophobicContact CG-CD1 4.12Å; F9-I13 HydrophobicContact CZ-CD1 3.17Å; F9-I13 HydrophobicContact CZ-CG1 4.36Å; F9-I13 WeakPolarHBondContact O-CG1 3.38Å; F9-I13 PolarHBondContact O-N 2.86Å; F9-Y76 HydrophobicContact CB-CE1 4Å; F9-Y76 HydrophobicContact CB-CE2 4.17Å; F9-Y76 AromaticContact CD2-CD1 3.84Å; F9-Y76 HydrophobicContact CD2-CD1 3.84Å; F9-Y76 AromaticContact CD2-CD2 3.16Å; F9-Y76 HydrophobicContact CD2-CD2 3.16Å; F9-Y76 HydrophobicContact CD2-CE1 4.01Å; F9-Y76 AromaticContact CD2-CE2 3.38Å; F9-Y76 HydrophobicContact CD2-CE2 3.38Å; F9-Y76 AromaticContact CD2-CG 3.4Å; F9-Y76 HydrophobicContact CD2-CG 3.4Å; F9-Y76 VanDerWaalsContact CD2-CG 3.4Å; F9-Y76 AromaticContact CD2-CZ 3.78Å; F9-Y76 HydrophobicContact CE2-CD1 4.27Å; F9-Y76 AromaticContact CE2-CD2 3.48Å; F9-Y76 HydrophobicContact CE2-CD2 3.48Å; F9-Y76 VanDerWaalsContact CE2-CD2 3.48Å; F9-Y76 HydrophobicContact CE2-CE2 4.17Å; F9-Y76 AromaticContact CE2-CG 3.53Å; F9-Y76 HydrophobicContact CE2-CG 3.53Å; F9-Y76 HydrophobicContact CG-CD1 4.39Å; F9-Y76 HydrophobicContact CG-CD2 4.29Å; F9-Y76 HydrophobicContact CG-CE1 4.32Å; F9-Y76 HydrophobicContact CG-CE2 4.24Å; F9-Y76 HydrophobicContact CG-CG 4.35Å
10L86.2Confident84.9Confident85 Ų8572.2 Ų72.245%0.44536%0.364SS..Hα-helixtrans-61-43.4178.5-71174.1000111.6I6 I13 I14I6-L10 HydrophobicContact CG2-CD1 3.86Å; I6-L10 HydrophobicContact CG2-CG 4.29Å; I6-L10 WeakPolarHBondContact O-CB 3.5Å; I6-L10 VanDerWaalsContact O-CG 3.29Å; I6-L10 WeakPolarHBondContact O-CG 3.28Å; I6-L10 PolarHBondContact O-N 3.09Å; L10-I13 PolarHBondContact O-N 3.36Å; L10-I14 WeakPolarHBondContact O-CB 3.38Å; L10-I14 WeakPolarHBondContact O-CD1 3.48Å; L10-I14 WeakPolarHBondContact O-CG1 3.34Å; L10-I14 PolarHBondContact O-N 3.07Å
11F87.7Confident85.4Confident68 Ų6873.2 Ų73.230%0.29837%0.369SS..Hα-helixtrans-59-51.8177178.4-91.9000111.7N7 Q8 F9 I13 I14 C15 C268 V272N7-F11 WeakPolarHBondContact O-CB 3.13Å; N7-F11 PolarHBondContact O-N 3.4Å; Q8-F11 PolarHBondContact O-N 3.12Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 3.28Å; F11-I13 VanDerWaalsContact C-N 3.31Å; F11-I13 PolarHBondContact O-N 3.36Å; F11-I14 PolarHBondContact O-N 3.33Å; F11-C15 VanDerWaalsContact CZ-SG 3.57Å; F11-C15 PolarHBondContact O-N 3.37Å; F11-C268 HydrophobicContact CD1-CB 4.2Å; F11-C268 HydrophobicContact CE1-CB 3.51Å; F11-C268 HydrophobicContact CZ-CB 3.92Å; F11-V272 HydrophobicContact CE2-CG2 4.49Å; F11-V272 HydrophobicContact CZ-CG2 3.77Å
12N84.7Confident86.8Confident21 Ų2165.5 Ų65.511%0.11233%0.333CS..Hα-helixtrans-60-41.2-179.7-68.4-4.5000111.7Q8 F9 S16Q8-N12 VanDerWaalsContact O-CG 3.27Å; Q8-N12 PolarHBondContact O-N 3.14Å; Q8-N12 PolarHBondContact O-OD1 3.29Å; F9-N12 PolarHBondContact O-N 2.93Å; N12-S16 WeakPolarHBondContact O-CB 3.28Å; N12-S16 PolarHBondContact O-N 3.04Å; N12-S16 PolarHBondContact O-OG 3.19Å
13I86.6Confident87.7Confident39 Ų3959.6 Ų59.620%0.230%0.302CS..Hα-helixtrans-63.4-47.5176.1-74.1172.9000111.2F9 L10 F11 C15 S16 I17 L73F9-I13 HydrophobicContact CD1-CD1 3.92Å; F9-I13 HydrophobicContact CD2-CD1 3.79Å; F9-I13 HydrophobicContact CD2-CG1 4.31Å; F9-I13 HydrophobicContact CE1-CD1 3.43Å; F9-I13 VanDerWaalsContact CE1-CD1 3.43Å; F9-I13 HydrophobicContact CE2-CD1 3.34Å; F9-I13 HydrophobicContact CE2-CG1 4.09Å; F9-I13 HydrophobicContact CG-CD1 4.12Å; F9-I13 HydrophobicContact CZ-CD1 3.17Å; F9-I13 HydrophobicContact CZ-CG1 4.36Å; F9-I13 WeakPolarHBondContact O-CG1 3.38Å; F9-I13 PolarHBondContact O-N 2.86Å; L10-I13 PolarHBondContact O-N 3.36Å; F11-I13 VanDerWaalsContact C-N 3.31Å; F11-I13 PolarHBondContact O-N 3.36Å; I13-C15 PolarHBondContact O-N 3.33Å; I13-S16 PolarHBondContact O-N 3.07Å; I13-I17 HydrophobicContact CG2-CD1 3.59Å; I13-I17 HydrophobicContact CG2-CG1 4.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.28Å; I13-I17 PolarHBondContact O-N 2.67Å; I13-L73 HydrophobicContact CG1-CD2 4.35Å; I13-L73 HydrophobicContact CG2-CD2 4.41Å
14I90.7Very high88.6Confident97 Ų9759.8 Ų59.850%0.49730%0.3SS..Hα-helixtrans-61-48.5-178.9-70164.2000110.1L10 F11 S16 I17 L18L10-I14 WeakPolarHBondContact O-CB 3.38Å; L10-I14 WeakPolarHBondContact O-CD1 3.48Å; L10-I14 WeakPolarHBondContact O-CG1 3.34Å; L10-I14 PolarHBondContact O-N 3.07Å; F11-I14 PolarHBondContact O-N 3.33Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 3.48Å; I14-I17 PolarHBondContact O-N 2.8Å; I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 HydrophobicContact CG2-CG 4.4Å; I14-L18 WeakPolarHBondContact O-CB 3.4Å; I14-L18 VanDerWaalsContact O-CG 3.28Å; I14-L18 WeakPolarHBondContact O-CG 3.5Å; I14-L18 PolarHBondContact O-N 3.48Å
15C90.6Very high89.6Confident7 Ų755.9 Ų55.95%0.04729%0.292CS..Hα-helixtrans-58-43.3176.3-750000111.8F11 I13 L18 M19 D271F11-C15 VanDerWaalsContact CZ-SG 3.57Å; F11-C15 PolarHBondContact O-N 3.37Å; I13-C15 PolarHBondContact O-N 3.33Å; C15-L18 PolarHBondContact O-N 3.39Å; C15-M19 HydrophobicContact CB-CE 4.42Å; C15-M19 WeakPolarHBondContact O-CB 3.5Å; C15-M19 WeakPolarHBondContact O-CG 3.4Å; C15-M19 PolarHBondContact O-N 3.09Å; C15-D271 HydrophobicContact CB-CB 4.35Å
16S90.4Very high90.7Very high1 Ų152 Ų521%0.00727%0.271CS..Hα-helixtrans-63.7-45.8178.8-570000113N12 I13 I14 L18 M19 I20 S69 A72N12-S16 WeakPolarHBondContact O-CB 3.28Å; N12-S16 PolarHBondContact O-N 3.04Å; N12-S16 PolarHBondContact O-OG 3.19Å; I13-S16 PolarHBondContact O-N 3.07Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 3.48Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.32Å; S16-M19 PolarHBondContact O-N 3.48Å; S16-I20 WeakPolarHBondContact O-CG1 3.32Å; S16-I20 PolarHBondContact O-N 3.08Å; S16-S69 WeakPolarHBondContact CB-O 3.5Å; S16-S69 PolarHBondContact OG-O 3.01Å; S16-A72 WeakPolarHBondContact OG-CB 3.13Å
17I92.3Very high91.5Very high81 Ų8150 Ų5042%0.41526%0.262SS..Hα-helixtrans-63.2-43.2177.4-68.5171.2000110.3I13 I14 I20 I21 L73I13-I17 HydrophobicContact CG2-CD1 3.59Å; I13-I17 HydrophobicContact CG2-CG1 4.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.28Å; I13-I17 PolarHBondContact O-N 2.67Å; I14-I17 PolarHBondContact O-N 2.8Å; I17-I20 PolarHBondContact O-N 3.22Å; I17-I21 HydrophobicContact CG2-CD1 3.78Å; I17-I21 HydrophobicContact CG2-CG1 4.44Å; I17-I21 VanDerWaalsContact O-CG1 3.3Å; I17-I21 WeakPolarHBondContact O-CG1 3.4Å; I17-I21 PolarHBondContact O-N 2.77Å; I17-L73 HydrophobicContact CG1-CD2 4.48Å
18L94.8Very high92.2Very high77 Ų7749.7 Ų49.740%0.40326%0.259SS..Hα-helixtrans-62.3-44.2177.4-72.2173.9000111.9I14 C15 S16 I20 I21 V22 L275I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 HydrophobicContact CG2-CG 4.4Å; I14-L18 WeakPolarHBondContact O-CB 3.4Å; I14-L18 VanDerWaalsContact O-CG 3.28Å; I14-L18 WeakPolarHBondContact O-CG 3.5Å; I14-L18 PolarHBondContact O-N 3.48Å; C15-L18 PolarHBondContact O-N 3.39Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.32Å; L18-I20 PolarHBondContact O-N 3.44Å; L18-I21 PolarHBondContact O-N 2.85Å; L18-V22 WeakPolarHBondContact O-CB 3.46Å; L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.46Å; L18-V22 PolarHBondContact O-N 2.87Å; L18-L275 HydrophobicContact CB-CD1 4.01Å; L18-L275 HydrophobicContact CB-CD2 4.12Å; L18-L275 HydrophobicContact CD1-CD2 4.23Å
19M94.5Very high93Very high0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-57.3-48.2175.2-80-172.4-76.200111.1C15 S16 I21 V22 A23 F68 N274 L275 E278C15-M19 HydrophobicContact CB-CE 4.42Å; C15-M19 WeakPolarHBondContact O-CB 3.5Å; C15-M19 WeakPolarHBondContact O-CG 3.4Å; C15-M19 PolarHBondContact O-N 3.09Å; S16-M19 PolarHBondContact O-N 3.48Å; M19-I21 PolarHBondContact O-N 3Å; M19-V22 PolarHBondContact O-N 3.35Å; M19-A23 VanDerWaalsContact O-CB 3.29Å; M19-A23 WeakPolarHBondContact O-CB 3.33Å; M19-A23 PolarHBondContact O-N 3.2Å; M19-F68 WeakPolarHBondContact CE-O 3.16Å; M19-F68 HydrophobicContact SD-CB 4.28Å; M19-N274 HydrophobicContact SD-CB 4.02Å; M19-L275 HydrophobicContact CB-CD1 4.37Å; M19-L275 HydrophobicContact CG-CB 3.83Å; M19-L275 HydrophobicContact CG-CD1 3.69Å; M19-L275 HydrophobicContact CG-CG 4.35Å; M19-L275 HydrophobicContact SD-CB 4.48Å; M19-E278 VanDerWaalsContact CA-OE2 3.25Å; M19-E278 WeakPolarHBondContact CA-OE2 3.34Å; M19-E278 WeakPolarHBondContact CB-OE2 3.4Å; M19-E278 WeakPolarHBondContact CG-OE2 3.42Å
20I95Very high93.8Very high58 Ų5844.6 Ų44.630%0.29724%0.237SC..Hα-helixtrans-60.5-44.2177.7-66.2166.4000111.7S16 I17 L18 A23 V24 T65 L73S16-I20 WeakPolarHBondContact O-CG1 3.32Å; S16-I20 PolarHBondContact O-N 3.08Å; I17-I20 PolarHBondContact O-N 3.22Å; L18-I20 PolarHBondContact O-N 3.44Å; I20-A23 PolarHBondContact O-N 2.98Å; I20-V24 WeakPolarHBondContact O-CG2 3.33Å; I20-V24 PolarHBondContact O-N 2.99Å; I20-T65 HydrophobicContact CG1-CG2 4.17Å; I20-L73 HydrophobicContact CD1-CD1 3.78Å
21I96.3Very high94.3Very high93 Ų9343.3 Ų43.348%0.47723%0.232SC..Hα-helixtrans-62.4-48.3178.1-69.1167.5000110.5I17 L18 M19 A23 V24 V25I17-I21 HydrophobicContact CG2-CD1 3.78Å; I17-I21 HydrophobicContact CG2-CG1 4.44Å; I17-I21 VanDerWaalsContact O-CG1 3.3Å; I17-I21 WeakPolarHBondContact O-CG1 3.4Å; I17-I21 PolarHBondContact O-N 2.77Å; L18-I21 PolarHBondContact O-N 2.85Å; M19-I21 PolarHBondContact O-N 3Å; I21-A23 VanDerWaalsContact C-N 3.32Å; I21-A23 PolarHBondContact O-N 3.37Å; I21-V24 PolarHBondContact O-N 3.34Å; I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 2.79Å
22V97.4Very high94.6Very high25 Ų2541.2 Ų41.215%0.15222%0.224CC..Hα-helixtrans-59.6-45.1178.6168.60000110.3L18 M19 V25 G26 L275 E278 F279 S282L18-V22 WeakPolarHBondContact O-CB 3.46Å; L18-V22 VanDerWaalsContact O-CG2 3.28Å; L18-V22 WeakPolarHBondContact O-CG2 3.46Å; L18-V22 PolarHBondContact O-N 2.87Å; M19-V22 PolarHBondContact O-N 3.35Å; V22-V25 PolarHBondContact O-N 3.49Å; V22-G26 PolarHBondContact O-N 3.22Å; V22-L275 HydrophobicContact CB-CD1 4.49Å; V22-L275 HydrophobicContact CG2-CD1 4.06Å; V22-E278 HydrophobicContact CG1-CB 4.08Å; V22-F279 HydrophobicContact CG1-CB 4.22Å; V22-F279 HydrophobicContact CG1-CD2 4.49Å; V22-F279 HydrophobicContact CG2-CD2 4.46Å; V22-S282 WeakPolarHBondContact CG1-OG 3.46Å; V22-S282 PolarHBondContact O-OG 3.3Å
23A97.4Very high95Very high4 Ų440.4 Ų40.43%0.03322%0.22CC..Hα-helixtrans-61.5-45.6177.600000112.5M19 I20 I21 V25 G26 L27 L61 T65M19-A23 VanDerWaalsContact O-CB 3.29Å; M19-A23 WeakPolarHBondContact O-CB 3.33Å; M19-A23 PolarHBondContact O-N 3.2Å; I20-A23 PolarHBondContact O-N 2.98Å; I21-A23 VanDerWaalsContact C-N 3.32Å; I21-A23 PolarHBondContact O-N 3.37Å; A23-V25 PolarHBondContact O-N 3.09Å; A23-G26 PolarHBondContact O-N 3.39Å; A23-L27 WeakPolarHBondContact O-CB 3.15Å; A23-L27 WeakPolarHBondContact O-CG 3.27Å; A23-L27 PolarHBondContact O-N 3.21Å; A23-L61 HydrophobicContact CB-CD2 4.21Å; A23-T65 HydrophobicContact CB-CG2 3.86Å; A23-T65 WeakPolarHBondContact CB-OG1 3.31Å
24V97.7Very high95.4Very high77 Ų7740.3 Ų40.347%0.46722%0.219SC..Hα-helixtrans-61.7-46.1177170.80000111.1I20 I21 G26 L27 I28I20-V24 WeakPolarHBondContact O-CG2 3.33Å; I20-V24 PolarHBondContact O-N 2.99Å; I21-V24 PolarHBondContact O-N 3.34Å; V24-G26 VanDerWaalsContact C-N 3.33Å; V24-G26 PolarHBondContact O-N 2.89Å; V24-L27 PolarHBondContact O-N 3.26Å; V24-I28 HydrophobicContact CG1-CD1 3.96Å; V24-I28 VanDerWaalsContact O-CG1 3.3Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 2.95Å; V24-I28 VanDerWaalsContact O-N 3.07Å
25V98.1Very high95.5Very high62 Ų6239.7 Ų39.738%0.37621%0.214SC..Hα-helixtrans-62.1-42.6177.1172.40000110.9I21 V22 A23 I28 G29 F286I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 2.79Å; V22-V25 PolarHBondContact O-N 3.49Å; A23-V25 PolarHBondContact O-N 3.09Å; V25-I28 PolarHBondContact O-N 3.13Å; V25-G29 PolarHBondContact O-N 3.31Å; V25-F286 HydrophobicContact CG1-CE2 3.73Å; V25-F286 HydrophobicContact CG1-CZ 3.6Å
26G98.4Very high95.4Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-62.3-47.7176.700000112.8V22 A23 V24 I28 G29 N30 S282V22-G26 PolarHBondContact O-N 3.22Å; A23-G26 PolarHBondContact O-N 3.39Å; V24-G26 VanDerWaalsContact C-N 3.33Å; V24-G26 PolarHBondContact O-N 2.89Å; G26-I28 VanDerWaalsContact C-N 3.34Å; G26-I28 PolarHBondContact O-N 3.06Å; G26-G29 PolarHBondContact O-N 2.92Å; G26-N30 VanDerWaalsContact O-CB 3.27Å; G26-N30 WeakPolarHBondContact O-CB 3.25Å; G26-N30 VanDerWaalsContact O-CG 3.31Å; G26-N30 PolarHBondContact O-N 2.99Å; G26-N30 PolarHBondContact O-ND2 3.14Å; G26-S282 VanDerWaalsContact CA-CB 3.45Å; G26-S282 WeakPolarHBondContact CA-OG 3.5Å
27L98.5Very high95.1Very high41 Ų4139.9 Ų39.922%0.21521%0.214CC..Hα-helixtrans-60.3-42.5178.1-71.8169.9000112.1A23 V24 T31 N58 L61 L62A23-L27 WeakPolarHBondContact O-CB 3.15Å; A23-L27 WeakPolarHBondContact O-CG 3.27Å; A23-L27 PolarHBondContact O-N 3.21Å; V24-L27 PolarHBondContact O-N 3.26Å; L27-T31 WeakPolarHBondContact O-CB 3.49Å; L27-T31 PolarHBondContact O-N 3.25Å; L27-T31 PolarHBondContact O-OG1 3.43Å; L27-N58 HydrophobicContact CD2-CB 4.34Å; L27-L61 HydrophobicContact CD2-CB 3.92Å; L27-L61 HydrophobicContact CD2-CD1 4.38Å; L27-L61 HydrophobicContact CG-CB 4.11Å; L27-L61 HydrophobicContact CG-CD1 4.21Å; L27-L62 HydrophobicContact CD1-CD2 3.95Å; L27-L62 HydrophobicContact CD2-CD1 4.46Å; L27-L62 HydrophobicContact CD2-CD2 3.94Å; L27-L62 HydrophobicContact CD2-CG 3.74Å
28I97.9Very high94.6Very high98 Ų9846.5 Ų46.550%0.50323%0.234SC..Hα-helixtrans-64.3-49.8174.5-66.7167.1000109.6V24 V25 G26 T31 I32V24-I28 HydrophobicContact CG1-CD1 3.96Å; V24-I28 VanDerWaalsContact O-CG1 3.3Å; V24-I28 WeakPolarHBondContact O-CG1 3.39Å; V24-I28 PolarHBondContact O-N 2.95Å; V24-I28 VanDerWaalsContact O-N 3.07Å; V25-I28 PolarHBondContact O-N 3.13Å; G26-I28 VanDerWaalsContact C-N 3.34Å; G26-I28 PolarHBondContact O-N 3.06Å; I28-T31 PolarHBondContact O-N 3.05Å; I28-I32 HydrophobicContact CG2-CD1 3.79Å; I28-I32 VanDerWaalsContact O-CG1 3.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.48Å; I28-I32 PolarHBondContact O-N 2.98Å
29G96.9Very high93.7Very high2 Ų248.3 Ų48.32%0.02124%0.241CC..Hα-helixtrans-61.8-48-176.500000113.2V25 G26 I32 F33 L285V25-G29 PolarHBondContact O-N 3.31Å; G26-G29 PolarHBondContact O-N 2.92Å; G29-I32 PolarHBondContact O-N 3.2Å; G29-F33 WeakPolarHBondContact O-CB 3.44Å; G29-F33 PolarHBondContact O-N 3.22Å; G29-L285 VanDerWaalsContact CA-CD2 3.44Å; G29-L285 WeakPolarHBondContact O-CD2 3.41Å
30N98Very high92.9Very high1 Ų149.7 Ų49.71%0.00525%0.25CS..Hα-helixtrans-68.1-37.3179.2-71.1-24.6000111.7G26 F33 I34 A54 D57 N58 S281G26-N30 VanDerWaalsContact O-CB 3.27Å; G26-N30 WeakPolarHBondContact O-CB 3.25Å; G26-N30 VanDerWaalsContact O-CG 3.31Å; G26-N30 PolarHBondContact O-N 2.99Å; G26-N30 PolarHBondContact O-ND2 3.14Å; N30-F33 WeakPolarHBondContact O-CB 3.32Å; N30-F33 PolarHBondContact O-N 3.02Å; N30-I34 VanDerWaalsContact O-CG1 3.31Å; N30-I34 WeakPolarHBondContact O-CG1 3.35Å; N30-I34 PolarHBondContact O-N 2.95Å; N30-A54 HydrophobicContact CB-CB 4.05Å; N30-D57 VanDerWaalsContact ND2-CB 3.28Å; N30-D57 WeakPolarHBondContact ND2-CB 3.45Å; N30-N58 WeakPolarHBondContact CB-OD1 3.48Å; N30-S281 PolarHBondContact ND2-O 3.48Å
31T96.8Very high92Very high58 Ų5851.5 Ų51.536%0.35627%0.268SS..Hα-helixtrans-62.8-45.6172.8-61.50000111.9L27 I28 F33 I34 Q35 N58L27-T31 WeakPolarHBondContact O-CB 3.49Å; L27-T31 PolarHBondContact O-N 3.25Å; L27-T31 PolarHBondContact O-OG1 3.43Å; I28-T31 PolarHBondContact O-N 3.05Å; T31-F33 VanDerWaalsContact C-N 3.28Å; T31-F33 PolarHBondContact O-N 2.96Å; T31-I34 PolarHBondContact O-N 3.29Å; T31-Q35 WeakPolarHBondContact O-CG 3.1Å; T31-Q35 PolarHBondContact O-N 2.71Å; T31-N58 PolarHBondContact OG1-ND2 3.41Å
32I94.3Very high91.3Very high24 Ų2451.5 Ų51.512%0.12328%0.276CS..Hα-helixtrans-58.6-44.6172.7-69.3166.3000109.8I28 G29 I34 Q35 L36 L285 F299 L302 F303I28-I32 HydrophobicContact CG2-CD1 3.79Å; I28-I32 VanDerWaalsContact O-CG1 3.31Å; I28-I32 WeakPolarHBondContact O-CG1 3.48Å; I28-I32 PolarHBondContact O-N 2.98Å; G29-I32 PolarHBondContact O-N 3.2Å; I32-I34 VanDerWaalsContact C-N 3.34Å; I32-I34 PolarHBondContact O-N 3.13Å; I32-Q35 WeakPolarHBondContact O-CB 3.27Å; I32-Q35 PolarHBondContact O-N 3.34Å; I32-L36 HydrophobicContact CG2-CD1 4.12Å; I32-L36 HydrophobicContact CG2-CG 4.28Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.43Å; I32-L285 HydrophobicContact CB-CD2 4.36Å; I32-L285 HydrophobicContact CG2-CD2 4.36Å; I32-F299 HydrophobicContact CG2-CD2 4.01Å; I32-F299 HydrophobicContact CG2-CE2 3.97Å; I32-L302 HydrophobicContact CG2-CD2 4.3Å; I32-F303 HydrophobicContact CD1-CZ 4.05Å; I32-F303 HydrophobicContact CG1-CZ 4.41Å; I32-F303 HydrophobicContact CG2-CE2 4.39Å
33F92.8Very high90.9Very high4 Ų452.8 Ų52.82%0.01829%0.285CS..Hα-helixtrans-58.1-45179.9-153.8-101.9000112.2G29 N30 T31 L36 F37 L50 A54 L285 Y288 L295G29-F33 WeakPolarHBondContact O-CB 3.44Å; G29-F33 PolarHBondContact O-N 3.22Å; N30-F33 WeakPolarHBondContact O-CB 3.32Å; N30-F33 PolarHBondContact O-N 3.02Å; T31-F33 VanDerWaalsContact C-N 3.28Å; T31-F33 PolarHBondContact O-N 2.96Å; F33-L36 PolarHBondContact O-N 2.67Å; F33-F37 HydrophobicContact CD1-CD2 4.24Å; F33-F37 AromaticContact CD1-CE2 3.8Å; F33-F37 HydrophobicContact CD1-CE2 3.8Å; F33-F37 HydrophobicContact CE1-CD2 4.47Å; F33-F37 AromaticContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CG-CE2 4.38Å; F33-F37 HydrophobicContact CZ-CE2 4.06Å; F33-F37 WeakPolarHBondContact O-CD2 2.91Å; F33-L50 HydrophobicContact CE1-CB 3.66Å; F33-L50 HydrophobicContact CE1-CD1 4.32Å; F33-L50 HydrophobicContact CE1-CD2 4.23Å; F33-L50 HydrophobicContact CE1-CG 4.26Å; F33-L50 HydrophobicContact CZ-CB 4.36Å; F33-L50 HydrophobicContact CZ-CD1 4.2Å; F33-L50 HydrophobicContact CZ-CD2 4.33Å; F33-A54 HydrophobicContact CB-CB 4.29Å; F33-A54 HydrophobicContact CD1-CB 3.99Å; F33-L285 HydrophobicContact CD2-CB 3.9Å; F33-L285 HydrophobicContact CD2-CD1 3.59Å; F33-L285 HydrophobicContact CD2-CG 4.33Å; F33-L285 HydrophobicContact CE2-CD1 4.3Å; F33-Y288 AromaticContact CE2-CD2 3.8Å; F33-Y288 HydrophobicContact CE2-CD2 3.8Å; F33-Y288 AromaticContact CE2-CG 3.85Å; F33-Y288 HydrophobicContact CE2-CG 3.85Å; F33-Y288 HydrophobicContact CZ-CD1 4.28Å; F33-Y288 AromaticContact CZ-CD2 3.61Å; F33-Y288 HydrophobicContact CZ-CD2 3.61Å; F33-Y288 HydrophobicContact CZ-CE2 4.02Å; F33-Y288 AromaticContact CZ-CG 3.82Å; F33-Y288 HydrophobicContact CZ-CG 3.82Å; F33-L295 HydrophobicContact CD2-CD2 3.94Å; F33-L295 HydrophobicContact CE2-CD1 4.45Å; F33-L295 HydrophobicContact CE2-CD2 3.38Å; F33-L295 HydrophobicContact CZ-CD2 4.3Å
34I94.9Very high90.6Very high36 Ų3653.7 Ų53.719%0.18529%0.29CS..Hα-helixtrans-61.3-47.2174.8-68.1165.6000110.8N30 T31 I32 L36 F37 W38 T51 A54 A55N30-I34 VanDerWaalsContact O-CG1 3.31Å; N30-I34 WeakPolarHBondContact O-CG1 3.35Å; N30-I34 PolarHBondContact O-N 2.95Å; T31-I34 PolarHBondContact O-N 3.29Å; I32-I34 VanDerWaalsContact C-N 3.34Å; I32-I34 PolarHBondContact O-N 3.13Å; I34-L36 VanDerWaalsContact C-N 3.3Å; I34-L36 PolarHBondContact O-N 3.19Å; I34-F37 PolarHBondContact O-N 3.36Å; I34-F37 VanDerWaalsContact O-N 3.13Å; I34-W38 PolarHBondContact O-N 3.02Å; I34-T51 HydrophobicContact CB-CG2 4.34Å; I34-T51 HydrophobicContact CG1-CG2 4.06Å; I34-T51 HydrophobicContact CG2-CG2 4.02Å; I34-A54 HydrophobicContact CD1-CB 4.19Å; I34-A54 HydrophobicContact CG1-CB 3.79Å; I34-A55 HydrophobicContact CD1-CB 4.32Å
35Q92.2Very high90.4Very high84 Ų8450.7 Ų50.739%0.39327%0.272SS..Hα-helixtrans-59.3-39.7-180-73.4175.4-14.700112.6T31 I32 F37 W38 Q39T31-Q35 WeakPolarHBondContact O-CG 3.1Å; T31-Q35 PolarHBondContact O-N 2.71Å; I32-Q35 WeakPolarHBondContact O-CB 3.27Å; I32-Q35 PolarHBondContact O-N 3.34Å; Q35-F37 PolarHBondContact O-N 3.15Å; Q35-W38 PolarHBondContact O-N 2.78Å; Q35-Q39 PolarHBondContact O-N 3.12Å
36L88.5Confident90.1Very high7 Ų747.7 Ų47.74%0.03726%0.255CS..Hα-helixtrans-60.4-27.2178.5-69.8172.9000113.4I32 F33 I34 L295 R298 F299 L302I32-L36 HydrophobicContact CG2-CD1 4.12Å; I32-L36 HydrophobicContact CG2-CG 4.28Å; I32-L36 VanDerWaalsContact O-CG 3.28Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.43Å; F33-L36 PolarHBondContact O-N 2.67Å; I34-L36 VanDerWaalsContact C-N 3.3Å; I34-L36 PolarHBondContact O-N 3.19Å; L36-L295 HydrophobicContact CB-CD1 4.47Å; L36-L295 HydrophobicContact CD1-CD1 3.73Å; L36-L295 HydrophobicContact CD1-CG 4.19Å; L36-R298 HydrophobicContact CD2-CB 4.07Å; L36-R298 WeakPolarHBondContact CD2-O 3.3Å; L36-F299 HydrophobicContact CD1-CB 4.35Å; L36-F299 HydrophobicContact CD1-CD2 4.36Å; L36-F299 HydrophobicContact CD2-CB 4.48Å; L36-L302 HydrophobicContact CD2-CB 3.9Å; L36-L302 HydrophobicContact CD2-CD2 3.76Å; L36-L302 HydrophobicContact CD2-CG 4.42Å; L36-L302 HydrophobicContact CG-CD2 4.31Å
37F85Confident89.8Confident6 Ų647.7 Ų47.73%0.02626%0.255CS..Hα-helixtrans-98.9-31-180-67-62.6000113.2F33 I34 Q35 Q39 S40 D47 L50 T51 L295 L314F33-F37 HydrophobicContact CD1-CD2 4.24Å; F33-F37 AromaticContact CD1-CE2 3.8Å; F33-F37 HydrophobicContact CD1-CE2 3.8Å; F33-F37 HydrophobicContact CE1-CD2 4.47Å; F33-F37 AromaticContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CG-CE2 4.38Å; F33-F37 HydrophobicContact CZ-CE2 4.06Å; F33-F37 WeakPolarHBondContact O-CD2 2.91Å; I34-F37 PolarHBondContact O-N 3.36Å; I34-F37 VanDerWaalsContact O-N 3.13Å; Q35-F37 PolarHBondContact O-N 3.15Å; F37-Q39 VanDerWaalsContact C-N 3.27Å; F37-Q39 PolarHBondContact O-N 3.12Å; F37-S40 WeakPolarHBondContact O-CB 3.31Å; F37-S40 PolarHBondContact O-N 3.49Å; F37-D47 HydrophobicContact CB-CB 4.4Å; F37-D47 HydrophobicContact CD1-CB 3.33Å; F37-D47 HydrophobicContact CE1-CB 3.72Å; F37-D47 WeakPolarHBondContact CE1-OD1 2.93Å; F37-D47 HydrophobicContact CG-CB 4Å; F37-L50 HydrophobicContact CE2-CB 4.08Å; F37-L50 HydrophobicContact CE2-CD1 4.33Å; F37-L50 HydrophobicContact CZ-CB 4.47Å; F37-L50 HydrophobicContact CZ-CD1 4.01Å; F37-T51 VanDerWaalsContact CB-OG1 3.32Å; F37-T51 WeakPolarHBondContact CB-OG1 3.35Å; F37-L295 HydrophobicContact CE2-CD1 4.23Å; F37-L295 HydrophobicContact CZ-CD1 3.84Å; F37-L314 HydrophobicContact CE1-CD1 4.42Å; F37-L314 HydrophobicContact CZ-CD2 4.46Å
38W81.8Confident89.7Confident219 Ų21947 Ų4783%0.8325%0.251SS*.Hα-helixtrans-60.3-38.3175.1-166.8-12.5000111.6I34 Q35 S40I34-W38 PolarHBondContact O-N 3.02Å; Q35-W38 PolarHBondContact O-N 2.78Å; W38-S40 PolarHBondContact O-N 3.3Å
39Q76.1Confident89.6Confident116 Ų11642.6 Ų42.654%0.54223%0.228SC..THydrogen-bonded Turntrans-69-6.1177.9-65.9178.81.600114.3Q35 F37 S41 L302Q35-Q39 PolarHBondContact O-N 3.12Å; F37-Q39 VanDerWaalsContact C-N 3.27Å; F37-Q39 PolarHBondContact O-N 3.12Å; Q39-S41 PolarHBondContact O-N 2.98Å; Q39-L302 VanDerWaalsContact NE2-CD1 3.29Å
40S77.3Confident89.6Confident29 Ų2942.5 Ų42.520%0.20323%0.227CC..  trans-77.7117.5-180-171.50000111.3F37 W38 S42 P43F37-S40 WeakPolarHBondContact O-CB 3.31Å; F37-S40 PolarHBondContact O-N 3.49Å; W38-S40 PolarHBondContact O-N 3.3Å; S40-S42 PolarHBondContact O-N 3.12Å; S40-S42 VanDerWaalsContact O-N 3.12Å; S40-S42 PolarHBondContact OG-N 3.12Å; S40-S42 PolarHBondContact OG-O 3.26Å; S40-P43 WeakPolarHBondContact O-CD 3.04Å
41S75.1Confident89.5Confident95 Ų9544.2 Ų44.266%0.66424%0.237SC*.SBendtrans-64.3-14172.5-38.50000113.6Q39Q39-S41 PolarHBondContact O-N 2.98Å
42S83.2Confident89.5Confident94 Ų9442.2 Ų42.266%0.65723%0.228SC*.SBendtrans-144.775.1-179.8-57.80000109.2S40 T44S40-S42 PolarHBondContact O-N 3.12Å; S40-S42 VanDerWaalsContact O-N 3.12Å; S40-S42 PolarHBondContact OG-N 3.12Å; S40-S42 PolarHBondContact OG-O 3.26Å; S42-T44 PolarHBondContact O-N 2.55Å
43P87.9Confident89.7Confident51 Ų5141.3 Ų41.333%0.33122%0.224SC..  trans-63.6137.1179.927.7-33.6000110S40 D47 I48 P131S40-P43 WeakPolarHBondContact O-CD 3.04Å; P43-D47 HydrophobicContact CB-CB 4.27Å; P43-I48 HydrophobicContact CB-CD1 4.4Å; P43-I48 HydrophobicContact CB-CG1 4.2Å; P43-I48 HydrophobicContact CG-CD1 4.39Å; P43-P131 VanDerWaalsContact O-CG 3.28Å; P43-P131 WeakPolarHBondContact O-CG 3.5Å
44T91.2Very high90Very high24 Ų2441.2 Ų41.215%0.14722%0.224CC..  trans-77.7164.1172.677.30000111S42 M46 D47 I48 P313S42-T44 PolarHBondContact O-N 2.55Å; T44-M46 PolarHBondContact O-N 3.48Å; T44-M46 PolarHBondContact OG1-N 2.82Å; T44-D47 PolarHBondContact N-OD2 3.5Å; T44-D47 WeakPolarHBondContact O-CB 3.34Å; T44-D47 PolarHBondContact O-N 3.03Å; T44-D47 VanDerWaalsContact O-N 3.12Å; T44-D47 PolarHBondContact OG1-N 3.37Å; T44-D47 VanDerWaalsContact OG1-N 3.12Å; T44-D47 PolarHBondContact OG1-OD1 3.05Å; T44-I48 PolarHBondContact O-N 3.14Å; T44-I48 VanDerWaalsContact O-N 3.15Å; T44-P313 HydrophobicContact CG2-CB 4.01Å
45S93.5Very high90.1Very high13 Ų1341.5 Ų41.59%0.09123%0.232CC..Hα-helixtrans-50.9-44.4171.4480000111.8I48 L49 E114 S134S45-I48 PolarHBondContact O-N 3.5Å; S45-L49 PolarHBondContact O-N 3.12Å; S45-L49 VanDerWaalsContact O-N 3.12Å; S45-E114 VanDerWaalsContact CB-OE1 3.25Å; S45-E114 WeakPolarHBondContact CB-OE1 3.28Å; S45-E114 WeakPolarHBondContact CB-OE2 3.47Å; S45-E114 PolarHBondContact OG-OE1 3.19Å; S45-S134 VanDerWaalsContact CA-OG 3.27Å; S45-S134 WeakPolarHBondContact CA-OG 3.46Å; S45-S134 WeakPolarHBondContact CB-OG 3.35Å; S45-S134 WeakPolarHBondContact O-CB 3.33Å; S45-S134 PolarHBondContact O-OG 3.48Å; S45-S134 VanDerWaalsContact O-OG 3.12Å
46M92.3Very high90.4Very high0 Ų038.1 Ų38.10%022%0.218CC..Hα-helixtrans-69.2-40.9176.9179.7141.1-64.700113T44 I48 L49 L50 V111 E114 R115 F315T44-M46 PolarHBondContact O-N 3.48Å; T44-M46 PolarHBondContact OG1-N 2.82Å; M46-I48 PolarHBondContact O-N 3.28Å; M46-L49 PolarHBondContact O-N 3.09Å; M46-L49 VanDerWaalsContact O-N 3.15Å; M46-L50 HydrophobicContact CG-CD1 3.54Å; M46-L50 HydrophobicContact CG-CG 3.71Å; M46-L50 WeakPolarHBondContact O-CB 3.42Å; M46-L50 VanDerWaalsContact O-CG 3.27Å; M46-L50 WeakPolarHBondContact O-CG 3.45Å; M46-L50 PolarHBondContact O-N 2.98Å; M46-L50 HydrophobicContact SD-CD1 4.13Å; M46-L50 HydrophobicContact SD-CG 4.39Å; M46-V111 HydrophobicContact CE-CB 4.44Å; M46-V111 HydrophobicContact CE-CG1 3.81Å; M46-V111 WeakPolarHBondContact CE-O 3.16Å; M46-V111 HydrophobicContact SD-CG1 4.41Å; M46-E114 WeakPolarHBondContact CA-OE1 3.35Å; M46-E114 WeakPolarHBondContact CB-OE1 3.45Å; M46-E114 HydrophobicContact CE-CB 4.19Å; M46-E114 HydrophobicContact CE-CG 4.25Å; M46-E114 PolarHBondContact N-OE1 3.08Å; M46-R115 HydrophobicContact CE-CG 4Å; M46-R115 VanDerWaalsContact CE-CZ 3.42Å; M46-R115 PolarHBondContact SD-NE 3.39Å; M46-R115 PolarHBondContact SD-NH2 2.85Å; M46-F315 HydrophobicContact CB-CD2 3.83Å; M46-F315 HydrophobicContact CB-CE2 3.47Å; M46-F315 VanDerWaalsContact CB-CE2 3.47Å; M46-F315 HydrophobicContact CB-CZ 4.43Å; M46-F315 HydrophobicContact CG-CD2 4.3Å; M46-F315 HydrophobicContact CG-CE2 3.44Å; M46-F315 VanDerWaalsContact CG-CE2 3.44Å; M46-F315 HydrophobicContact CG-CZ 4.06Å; M46-F315 HydrophobicContact SD-CD2 4.41Å; M46-F315 HydrophobicContact SD-CE1 4.38Å; M46-F315 HydrophobicContact SD-CE2 3.33Å; M46-F315 WeakPolarHBondContact SD-CE2 3.46Å; M46-F315 HydrophobicContact SD-CZ 3.31Å; M46-F315 WeakPolarHBondContact SD-CZ 3.12Å
47D92.8Very high90.9Very high0 Ų037.8 Ų37.80%022%0.217CC..Hα-helixtrans-54-39.2177.8-67.311.4000109.7F37 P43 T44 T51 R298F37-D47 HydrophobicContact CB-CB 4.4Å; F37-D47 HydrophobicContact CD1-CB 3.33Å; F37-D47 HydrophobicContact CE1-CB 3.72Å; F37-D47 WeakPolarHBondContact CE1-OD1 2.93Å; F37-D47 HydrophobicContact CG-CB 4Å; P43-D47 HydrophobicContact CB-CB 4.27Å; T44-D47 PolarHBondContact N-OD2 3.5Å; T44-D47 WeakPolarHBondContact O-CB 3.34Å; T44-D47 PolarHBondContact O-N 3.03Å; T44-D47 VanDerWaalsContact O-N 3.12Å; T44-D47 PolarHBondContact OG1-N 3.37Å; T44-D47 VanDerWaalsContact OG1-N 3.12Å; T44-D47 PolarHBondContact OG1-OD1 3.05Å; D47-T51 WeakPolarHBondContact O-CB 3.31Å; D47-T51 PolarHBondContact O-N 3.3Å; D47-T51 PolarHBondContact O-OG1 3.5Å; D47-R298 IonicContact OD1-NH1 3.91Å; D47-R298 IonicContact OD2-CZ 3.71Å; D47-R298 IonicContact OD2-NH1 2.95Å; D47-R298 PolarHBondContact OD2-NH1 3.38Å; D47-R298 IonicContact OD2-NH2 3.48Å; D47-R298 PolarHBondContact OD2-NH2 2.94Å
48I95.6Very high91.5Very high27 Ų2738.5 Ų38.514%0.13822%0.221CC..Hα-helixtrans-68.1-51.1176.1-70.4162.2000112.1P43 T44 S45 M46 L50 T51 G52 P131 V135 L138P43-I48 HydrophobicContact CB-CD1 4.4Å; P43-I48 HydrophobicContact CB-CG1 4.2Å; P43-I48 HydrophobicContact CG-CD1 4.39Å; T44-I48 PolarHBondContact O-N 3.14Å; T44-I48 VanDerWaalsContact O-N 3.15Å; S45-I48 PolarHBondContact O-N 3.5Å; M46-I48 PolarHBondContact O-N 3.28Å; I48-L50 VanDerWaalsContact C-N 3.26Å; I48-L50 PolarHBondContact O-N 2.84Å; I48-T51 WeakPolarHBondContact O-CB 3.21Å; I48-T51 PolarHBondContact O-N 2.97Å; I48-T51 VanDerWaalsContact O-N 3.14Å; I48-G52 PolarHBondContact O-N 3.49Å; I48-P131 HydrophobicContact CD1-CB 3.49Å; I48-P131 VanDerWaalsContact CD1-CB 3.49Å; I48-P131 HydrophobicContact CD1-CG 4.49Å; I48-P131 WeakPolarHBondContact CD1-O 3.31Å; I48-V135 HydrophobicContact CD1-CG2 4.16Å; I48-V135 HydrophobicContact CG2-CG2 3.83Å; I48-L138 HydrophobicContact CG2-CD1 3.69Å
49L96.6Very high92.3Very high4 Ų431.4 Ų31.42%0.02120%0.201CC..Hα-helixtrans-58.9-40.5179.1-69.7179.9000112.2S45 M46 G52 L53 T107 V111 E114 L138S45-L49 PolarHBondContact O-N 3.12Å; S45-L49 VanDerWaalsContact O-N 3.12Å; M46-L49 PolarHBondContact O-N 3.09Å; M46-L49 VanDerWaalsContact O-N 3.15Å; L49-G52 PolarHBondContact O-N 3.5Å; L49-L53 PolarHBondContact O-N 3.47Å; L49-T107 VanDerWaalsContact O-CG2 3.31Å; L49-T107 WeakPolarHBondContact O-CG2 3.47Å; L49-V111 HydrophobicContact CB-CG2 3.74Å; L49-V111 HydrophobicContact CD1-CG2 4.43Å; L49-E114 HydrophobicContact CD1-CB 4.11Å; L49-E114 WeakPolarHBondContact CD1-OE2 3.39Å; L49-L138 HydrophobicContact CD2-CD2 4.04Å; L49-L138 HydrophobicContact CD2-CG 4.08Å
50L95.5Very high93.4Very high1 Ų126.3 Ų26.31%0.00518%0.177CC..Hα-helixtrans-65.8-37.8177-78.3-175.1000112.9F33 F37 M46 I48 L53 A54 V111 Y288 L314F33-L50 HydrophobicContact CE1-CB 3.66Å; F33-L50 HydrophobicContact CE1-CD1 4.32Å; F33-L50 HydrophobicContact CE1-CD2 4.23Å; F33-L50 HydrophobicContact CE1-CG 4.26Å; F33-L50 HydrophobicContact CZ-CB 4.36Å; F33-L50 HydrophobicContact CZ-CD1 4.2Å; F33-L50 HydrophobicContact CZ-CD2 4.33Å; F37-L50 HydrophobicContact CE2-CB 4.08Å; F37-L50 HydrophobicContact CE2-CD1 4.33Å; F37-L50 HydrophobicContact CZ-CB 4.47Å; F37-L50 HydrophobicContact CZ-CD1 4.01Å; M46-L50 HydrophobicContact CG-CD1 3.54Å; M46-L50 HydrophobicContact CG-CG 3.71Å; M46-L50 WeakPolarHBondContact O-CB 3.42Å; M46-L50 VanDerWaalsContact O-CG 3.27Å; M46-L50 WeakPolarHBondContact O-CG 3.45Å; M46-L50 PolarHBondContact O-N 2.98Å; M46-L50 HydrophobicContact SD-CD1 4.13Å; M46-L50 HydrophobicContact SD-CG 4.39Å; I48-L50 VanDerWaalsContact C-N 3.26Å; I48-L50 PolarHBondContact O-N 2.84Å; L50-L53 PolarHBondContact O-N 3.06Å; L50-A54 PolarHBondContact O-N 3.35Å; L50-A54 VanDerWaalsContact O-N 3.09Å; L50-V111 HydrophobicContact CD2-CG1 4.13Å; L50-V111 HydrophobicContact CD2-CG2 4.1Å; L50-Y288 HydrophobicContact CD1-CD1 4.49Å; L50-Y288 HydrophobicContact CD1-CE1 3.87Å; L50-Y288 HydrophobicContact CD2-CE1 3.96Å; L50-Y288 HydrophobicContact CD2-CE2 4.02Å; L50-Y288 VanDerWaalsContact CD2-CZ 3.45Å; L50-Y288 WeakPolarHBondContact CD2-OH 3.26Å; L50-L314 HydrophobicContact CD1-CD2 4.39Å
51T96.1Very high94.4Very high36 Ų3625 Ų2522%0.22117%0.168CC..Hα-helixtrans-66.5-42172.5-56.20000110.8I34 F37 D47 I48 A54 A55I34-T51 HydrophobicContact CB-CG2 4.34Å; I34-T51 HydrophobicContact CG1-CG2 4.06Å; I34-T51 HydrophobicContact CG2-CG2 4.02Å; F37-T51 VanDerWaalsContact CB-OG1 3.32Å; F37-T51 WeakPolarHBondContact CB-OG1 3.35Å; D47-T51 WeakPolarHBondContact O-CB 3.31Å; D47-T51 PolarHBondContact O-N 3.3Å; D47-T51 PolarHBondContact O-OG1 3.5Å; I48-T51 WeakPolarHBondContact O-CB 3.21Å; I48-T51 PolarHBondContact O-N 2.97Å; I48-T51 VanDerWaalsContact O-N 3.14Å; T51-A54 PolarHBondContact O-N 3.38Å; T51-A55 WeakPolarHBondContact O-CB 3.27Å; T51-A55 PolarHBondContact O-N 3.12Å
52G97.7Very high95.4Very high16 Ų1625.7 Ų25.717%0.16516%0.164CC..Hα-helixtrans-62-40.7175.200000113I48 L49 A55 A56I48-G52 PolarHBondContact O-N 3.49Å; L49-G52 PolarHBondContact O-N 3.5Å; G52-A55 PolarHBondContact O-N 3.18Å; G52-A56 PolarHBondContact O-N 3.46Å
53L97.9Very high96.1Very high5 Ų521.4 Ų21.43%0.02613%0.134CC..Hα-helixtrans-61.4-51.3175.3-178.158.6000111L49 L50 A55 A56 D57 S104 T107 M108L49-L53 PolarHBondContact O-N 3.47Å; L50-L53 PolarHBondContact O-N 3.06Å; L53-A55 VanDerWaalsContact C-N 3.25Å; L53-A55 PolarHBondContact O-N 3.37Å; L53-A56 PolarHBondContact O-N 3.33Å; L53-A56 VanDerWaalsContact O-N 3.15Å; L53-D57 WeakPolarHBondContact O-CB 3.47Å; L53-D57 VanDerWaalsContact O-CG 3.25Å; L53-D57 PolarHBondContact O-N 3.4Å; L53-S104 VanDerWaalsContact CD1-O 3.3Å; L53-S104 WeakPolarHBondContact CD1-O 3.43Å; L53-S104 WeakPolarHBondContact CD1-OG 3.37Å; L53-T107 HydrophobicContact CB-CG2 3.79Å; L53-T107 HydrophobicContact CD1-CG2 4.46Å; L53-M108 HydrophobicContact CD1-CB 4.28Å; L53-M108 HydrophobicContact CD2-CB 4.46Å
54A98.2Very high96.4Very high2 Ų219 Ų192%0.01712%0.119CC..Hα-helixtrans-61.4-33.3177.700000112.8N30 F33 I34 L50 T51 N58N30-A54 HydrophobicContact CB-CB 4.05Å; F33-A54 HydrophobicContact CB-CB 4.29Å; F33-A54 HydrophobicContact CD1-CB 3.99Å; I34-A54 HydrophobicContact CD1-CB 4.19Å; I34-A54 HydrophobicContact CG1-CB 3.79Å; L50-A54 PolarHBondContact O-N 3.35Å; L50-A54 VanDerWaalsContact O-N 3.09Å; T51-A54 PolarHBondContact O-N 3.38Å; A54-N58 WeakPolarHBondContact O-CB 3.45Å; A54-N58 PolarHBondContact O-N 2.98Å
55A98.2Very high96.5Very high43 Ų4318.5 Ų18.536%0.35512%0.116SC..Hα-helixtrans-68.3-44.7174.200000111.9I34 T51 G52 L53 N58 V59I34-A55 HydrophobicContact CD1-CB 4.32Å; T51-A55 WeakPolarHBondContact O-CB 3.27Å; T51-A55 PolarHBondContact O-N 3.12Å; G52-A55 PolarHBondContact O-N 3.18Å; L53-A55 VanDerWaalsContact C-N 3.25Å; L53-A55 PolarHBondContact O-N 3.37Å; A55-N58 PolarHBondContact O-N 2.94Å; A55-V59 WeakPolarHBondContact O-CG2 3.31Å; A55-V59 PolarHBondContact O-N 2.78Å
56A98.6Very high96.4Very high13 Ų1319.5 Ų19.511%0.10712%0.122CC..Hα-helixtrans-62.2-43.5174.800000111.5G52 L53 N58 V59 L60 A103G52-A56 PolarHBondContact O-N 3.46Å; L53-A56 PolarHBondContact O-N 3.33Å; L53-A56 VanDerWaalsContact O-N 3.15Å; A56-N58 VanDerWaalsContact C-N 3.35Å; A56-N58 PolarHBondContact O-N 3.08Å; A56-V59 PolarHBondContact O-N 3.34Å; A56-L60 WeakPolarHBondContact O-CB 3.38Å; A56-L60 PolarHBondContact O-N 3.19Å; A56-A103 HydrophobicContact CB-CB 4.16Å
57D98.5Very high96.2Very high0 Ų020 Ų200%013%0.125CC..Hα-helixtrans-61.6-41.3176.3-68.6-18000111.4N30 L53 L60 L61 S104 S281 N284N30-D57 VanDerWaalsContact ND2-CB 3.28Å; N30-D57 WeakPolarHBondContact ND2-CB 3.45Å; L53-D57 WeakPolarHBondContact O-CB 3.47Å; L53-D57 VanDerWaalsContact O-CG 3.25Å; L53-D57 PolarHBondContact O-N 3.4Å; D57-L60 WeakPolarHBondContact O-CB 3.36Å; D57-L60 PolarHBondContact O-N 2.84Å; D57-L61 VanDerWaalsContact O-CG 3.31Å; D57-L61 WeakPolarHBondContact O-CG 3.4Å; D57-L61 PolarHBondContact O-N 2.99Å; D57-S104 VanDerWaalsContact OD1-CB 3.28Å; D57-S104 WeakPolarHBondContact OD1-CB 3.2Å; D57-S104 PolarHBondContact OD1-OG 3.12Å; D57-S281 WeakPolarHBondContact CB-O 3.47Å; D57-N284 PolarHBondContact OD2-ND2 3.35Å
58N98.5Very high95.9Very high21 Ų2122.1 Ų22.111%0.11213%0.134CC..Hα-helixtrans-61.2-44.5173.6-87.9-10.1000112.6L27 N30 T31 A54 A55 A56 L60 L61 L62L27-N58 HydrophobicContact CD2-CB 4.34Å; N30-N58 WeakPolarHBondContact CB-OD1 3.48Å; T31-N58 PolarHBondContact OG1-ND2 3.41Å; A54-N58 WeakPolarHBondContact O-CB 3.45Å; A54-N58 PolarHBondContact O-N 2.98Å; A55-N58 PolarHBondContact O-N 2.94Å; A56-N58 VanDerWaalsContact C-N 3.35Å; A56-N58 PolarHBondContact O-N 3.08Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 3.25Å; N58-L61 PolarHBondContact O-N 3.45Å; N58-L62 WeakPolarHBondContact O-CB 3.29Å; N58-L62 VanDerWaalsContact O-CG 3.3Å; N58-L62 WeakPolarHBondContact O-CG 3.43Å; N58-L62 PolarHBondContact O-N 3.18Å
59V98.4Very high95.1Very high69 Ų6920.9 Ų20.942%0.41813%0.128SC..Hα-helixtrans-63.5-40.7176.6179.10000110.3A55 A56 L62 S63 I96 A100A55-V59 WeakPolarHBondContact O-CG2 3.31Å; A55-V59 PolarHBondContact O-N 2.78Å; A56-V59 PolarHBondContact O-N 3.34Å; V59-L62 PolarHBondContact O-N 3.33Å; V59-S63 WeakPolarHBondContact O-CB 3.45Å; V59-S63 PolarHBondContact O-N 3.42Å; V59-S63 PolarHBondContact O-OG 3.47Å; V59-I96 HydrophobicContact CG1-CG2 3.92Å; V59-A100 HydrophobicContact CB-CB 3.89Å; V59-A100 HydrophobicContact CG1-CB 3.72Å
60L98.2Very high94Very high9 Ų922.2 Ų22.25%0.04714%0.136CC..Hα-helixtrans-60.9-47.2176.3172.656.1000111.6A56 D57 N58 S63 G64 S97 A100 H101 I277 S281A56-L60 WeakPolarHBondContact O-CB 3.38Å; A56-L60 PolarHBondContact O-N 3.19Å; D57-L60 WeakPolarHBondContact O-CB 3.36Å; D57-L60 PolarHBondContact O-N 2.84Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 3.25Å; L60-S63 PolarHBondContact O-OG 3.3Å; L60-G64 WeakPolarHBondContact O-CA 3.3Å; L60-G64 PolarHBondContact O-N 3.2Å; L60-S97 WeakPolarHBondContact CD1-O 3.41Å; L60-A100 HydrophobicContact CB-CB 3.81Å; L60-H101 HydrophobicContact CD1-CB 4.07Å; L60-H101 HydrophobicContact CD2-CB 4.12Å; L60-I277 HydrophobicContact CD2-CG2 4.13Å; L60-S281 WeakPolarHBondContact CD2-OG 3.22Å
61L98.1Very high92.8Very high1 Ų124.6 Ų24.61%0.00515%0.148CC..Hα-helixtrans-65.7-44.4178.1-65.5175.3000111.7A23 L27 D57 N58 S63 T65 E278A23-L61 HydrophobicContact CB-CD2 4.21Å; L27-L61 HydrophobicContact CD2-CB 3.92Å; L27-L61 HydrophobicContact CD2-CD1 4.38Å; L27-L61 HydrophobicContact CG-CB 4.11Å; L27-L61 HydrophobicContact CG-CD1 4.21Å; D57-L61 VanDerWaalsContact O-CG 3.31Å; D57-L61 WeakPolarHBondContact O-CG 3.4Å; D57-L61 PolarHBondContact O-N 2.99Å; N58-L61 PolarHBondContact O-N 3.45Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 2.92Å; L61-T65 VanDerWaalsContact O-CB 3.24Å; L61-T65 WeakPolarHBondContact O-CB 3.4Å; L61-T65 PolarHBondContact O-N 2.87Å; L61-T65 VanDerWaalsContact O-N 3.17Å; L61-T65 PolarHBondContact O-OG1 3.38Å; L61-E278 HydrophobicContact CD2-CB 3.93Å; L61-E278 HydrophobicContact CD2-CG 4Å
62L97.1Very high91.6Very high110 Ų11023.5 Ų23.558%0.57614%0.143SC*.Hα-helixtrans-64.9-34.9179.4-72.6172.8000113.3L27 N58 V59 P66L27-L62 HydrophobicContact CD1-CD2 3.95Å; L27-L62 HydrophobicContact CD2-CD1 4.46Å; L27-L62 HydrophobicContact CD2-CD2 3.94Å; L27-L62 HydrophobicContact CD2-CG 3.74Å; N58-L62 WeakPolarHBondContact O-CB 3.29Å; N58-L62 VanDerWaalsContact O-CG 3.3Å; N58-L62 WeakPolarHBondContact O-CG 3.43Å; N58-L62 PolarHBondContact O-N 3.18Å; V59-L62 PolarHBondContact O-N 3.33Å; L62-P66 VanDerWaalsContact O-CD 3.26Å; L62-P66 WeakPolarHBondContact O-CD 3.39Å; L62-P66 WeakPolarHBondContact O-CG 3.45Å
63S96.4Very high90.2Very high5 Ų525.5 Ų25.54%0.03515%0.149CC..Hα-helixtrans-92-36.1-178.558.60000113.3V59 L60 L61 V67 L93 S97V59-S63 WeakPolarHBondContact O-CB 3.45Å; V59-S63 PolarHBondContact O-N 3.42Å; V59-S63 PolarHBondContact O-OG 3.47Å; L60-S63 PolarHBondContact O-OG 3.3Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 2.92Å; S63-V67 WeakPolarHBondContact O-CG2 3.45Å; S63-L93 WeakPolarHBondContact O-CB 3.35Å; S63-S97 WeakPolarHBondContact OG-CA 3.45Å; S63-S97 VanDerWaalsContact OG-CB 3.32Å; S63-S97 WeakPolarHBondContact OG-CB 3.3Å; S63-S97 PolarHBondContact OG-N 3.18Å
64G95Very high88.7Confident1 Ų129.8 Ų29.81%0.0117%0.166CC..Hα-helixtrans-76.8-45.9-177.100000113.2L60 V67 F68L60-G64 WeakPolarHBondContact O-CA 3.3Å; L60-G64 PolarHBondContact O-N 3.2Å; G64-V67 WeakPolarHBondContact O-CB 3.31Å; G64-V67 PolarHBondContact O-N 3.16Å; G64-F68 WeakPolarHBondContact O-CD2 3.3Å; G64-F68 PolarHBondContact O-N 3.45Å
65T93.8Very high87.2Confident13 Ų1333.7 Ų33.78%0.0819%0.189CC..Hα-helixtrans-59.5-44.1-173.7-57.50000113.2I20 A23 L61 V67 S69 V70 E278I20-T65 HydrophobicContact CG1-CG2 4.17Å; A23-T65 HydrophobicContact CB-CG2 3.86Å; A23-T65 WeakPolarHBondContact CB-OG1 3.31Å; L61-T65 VanDerWaalsContact O-CB 3.24Å; L61-T65 WeakPolarHBondContact O-CB 3.4Å; L61-T65 PolarHBondContact O-N 2.87Å; L61-T65 VanDerWaalsContact O-N 3.17Å; L61-T65 PolarHBondContact O-OG1 3.38Å; T65-V67 PolarHBondContact O-N 3.02Å; T65-S69 WeakPolarHBondContact CG2-OG 3.2Å; T65-S69 WeakPolarHBondContact O-CB 3.46Å; T65-S69 PolarHBondContact O-N 3.33Å; T65-S69 PolarHBondContact O-OG 2.94Å; T65-V70 PolarHBondContact O-N 3.41Å; T65-E278 VanDerWaalsContact CA-OE1 3.29Å; T65-E278 WeakPolarHBondContact CA-OE1 3.29Å; T65-E278 WeakPolarHBondContact CB-OE1 3.4Å; T65-E278 PolarHBondContact OG1-OE1 3.33Å
66P90.8Very high85.8Confident33 Ų3336.4 Ų36.421%0.21419%0.191CC..Iπ-helixtrans-60-32.1174.9-24.635.4000113.8L62 L89 L93L62-P66 VanDerWaalsContact O-CD 3.26Å; L62-P66 WeakPolarHBondContact O-CD 3.39Å; L62-P66 WeakPolarHBondContact O-CG 3.45Å; P66-L89 HydrophobicContact CB-CD1 4.5Å; P66-L93 HydrophobicContact CB-CD1 3.98Å; P66-L93 HydrophobicContact CG-CD1 4.06Å
67V88.7Confident84.4Confident11 Ų1141.2 Ų41.27%0.06722%0.224CC..Iπ-helixtrans-80.7-45.4-177.5179.20000111.4S63 G64 T65 I71 T90 L93S63-V67 WeakPolarHBondContact O-CG2 3.45Å; G64-V67 WeakPolarHBondContact O-CB 3.31Å; G64-V67 PolarHBondContact O-N 3.16Å; T65-V67 PolarHBondContact O-N 3.02Å; V67-I71 WeakPolarHBondContact O-CD1 3.27Å; V67-I71 WeakPolarHBondContact O-CG1 3.13Å; V67-T90 HydrophobicContact CG1-CG2 4.15Å; V67-L93 HydrophobicContact CG2-CB 3.64Å
68F85.7Confident83Confident45 Ų4543.5 Ų43.520%0.19724%0.239CC..Iπ-helixtrans-93.9-26-170.3-55.8-55000113.9M19 G64 Y94 N274M19-F68 WeakPolarHBondContact CE-O 3.16Å; M19-F68 HydrophobicContact SD-CB 4.28Å; G64-F68 WeakPolarHBondContact O-CD2 3.3Å; G64-F68 PolarHBondContact O-N 3.45Å; F68-Y94 HydrophobicContact CE1-CD2 4.24Å; F68-Y94 HydrophobicContact CZ-CD2 4.05Å; F68-Y94 HydrophobicContact CZ-CE2 4.45Å; F68-N274 HydrophobicContact CB-CB 4.05Å; F68-N274 WeakPolarHBondContact CD1-ND2 3.34Å; F68-N274 HydrophobicContact CG-CB 4.23Å
69S79.9Confident82.2Confident0 Ų045.8 Ų45.80%026%0.256CS..Iπ-helixtrans-107.4-46.4-176.173.70000113.8S16 T65 I71 A72S16-S69 WeakPolarHBondContact CB-O 3.5Å; S16-S69 PolarHBondContact OG-O 3.01Å; T65-S69 WeakPolarHBondContact CG2-OG 3.2Å; T65-S69 WeakPolarHBondContact O-CB 3.46Å; T65-S69 PolarHBondContact O-N 3.33Å; T65-S69 PolarHBondContact O-OG 2.94Å; S69-I71 VanDerWaalsContact C-N 3.32Å; S69-I71 PolarHBondContact O-N 3.27Å; S69-A72 PolarHBondContact O-N 3.33Å
70V72.6Confident81.5Confident33 Ų3346.9 Ų46.920%0.226%0.263CS..Iπ-helixtrans-70.1-33.5-169.3179.80000111.2T65 A72 L73 Y74 M86T65-V70 PolarHBondContact O-N 3.41Å; V70-A72 VanDerWaalsContact C-N 3.32Å; V70-A72 PolarHBondContact O-N 3.14Å; V70-L73 PolarHBondContact O-N 2.87Å; V70-Y74 HydrophobicContact CG1-CD2 4.09Å; V70-Y74 HydrophobicContact CG1-CE2 3.65Å; V70-Y74 WeakPolarHBondContact O-CD2 3.27Å; V70-M86 HydrophobicContact CB-SD 4.33Å; V70-M86 HydrophobicContact CG1-CE 3.66Å; V70-M86 HydrophobicContact CG1-SD 3.7Å
71I71.3Confident81Confident50 Ų5052.5 Ų52.526%0.25629%0.289SS..Hα-helixtrans-61.2-42.2178.4-54.5-171.9000111.3V67 S69 L73 Y74 T75 M86 T90V67-I71 WeakPolarHBondContact O-CD1 3.27Å; V67-I71 WeakPolarHBondContact O-CG1 3.13Å; S69-I71 VanDerWaalsContact C-N 3.32Å; S69-I71 PolarHBondContact O-N 3.27Å; I71-L73 VanDerWaalsContact C-N 3.27Å; I71-L73 PolarHBondContact O-N 3.15Å; I71-Y74 PolarHBondContact O-N 2.98Å; I71-Y74 VanDerWaalsContact O-N 3.09Å; I71-T75 PolarHBondContact O-N 3.5Å; I71-T75 PolarHBondContact O-OG1 3.09Å; I71-M86 HydrophobicContact CG1-CB 4.22Å; I71-T90 WeakPolarHBondContact CD1-OG1 3.16Å
72A70.3Confident80.4Confident13 Ų1354.3 Ų54.311%0.10730%0.299CS..Hα-helixtrans-66.6-26.2-17700000113.3S16 S69 V70 Y74 T75S16-A72 WeakPolarHBondContact OG-CB 3.13Å; S69-A72 PolarHBondContact O-N 3.33Å; V70-A72 VanDerWaalsContact C-N 3.32Å; V70-A72 PolarHBondContact O-N 3.14Å; A72-Y74 VanDerWaalsContact C-N 3.29Å; A72-Y74 PolarHBondContact O-N 2.94Å; A72-T75 PolarHBondContact O-OG1 3.01Å
73L68.4Low79.8Confident58 Ų5852.6 Ų52.630%0.30429%0.289SS..Hα-helixtrans-69.1-25.9173.9-66.8175.7000113.2I13 I17 I20 V70 I71I13-L73 HydrophobicContact CG1-CD2 4.35Å; I13-L73 HydrophobicContact CG2-CD2 4.41Å; I17-L73 HydrophobicContact CG1-CD2 4.48Å; I20-L73 HydrophobicContact CD1-CD1 3.78Å; V70-L73 PolarHBondContact O-N 2.87Å; I71-L73 VanDerWaalsContact C-N 3.27Å; I71-L73 PolarHBondContact O-N 3.15Å
74Y65.9Low79.4Confident96 Ų9655.8 Ų55.838%0.37630%0.302SS..Hα-helixtrans-104.1-0.7-174-64.8-64.3000114.1V70 I71 A72 Y76 P78 L82 M86V70-Y74 HydrophobicContact CG1-CD2 4.09Å; V70-Y74 HydrophobicContact CG1-CE2 3.65Å; V70-Y74 WeakPolarHBondContact O-CD2 3.27Å; I71-Y74 PolarHBondContact O-N 2.98Å; I71-Y74 VanDerWaalsContact O-N 3.09Å; A72-Y74 VanDerWaalsContact C-N 3.29Å; A72-Y74 PolarHBondContact O-N 2.94Å; Y74-Y76 PolarHBondContact O-N 3.24Å; Y74-Y76 VanDerWaalsContact O-N 3.09Å; Y74-P78 VanDerWaalsContact O-CB 3.22Å; Y74-P78 WeakPolarHBondContact O-CB 3.39Å; Y74-P78 WeakPolarHBondContact O-CD 3.23Å; Y74-P78 VanDerWaalsContact O-CG 3.24Å; Y74-P78 WeakPolarHBondContact O-CG 3.36Å; Y74-L82 HydrophobicContact CD1-CD2 3.2Å; Y74-L82 HydrophobicContact CD1-CG 4.37Å; Y74-L82 HydrophobicContact CD2-CD2 3.77Å; Y74-L82 HydrophobicContact CD2-CG 4.21Å; Y74-L82 HydrophobicContact CE1-CD2 3.27Å; Y74-L82 HydrophobicContact CE2-CD1 4.34Å; Y74-L82 HydrophobicContact CE2-CD2 3.83Å; Y74-L82 HydrophobicContact CE2-CG 4.39Å; Y74-L82 HydrophobicContact CG-CD2 3.46Å; Y74-L82 VanDerWaalsContact CG-CD2 3.46Å; Y74-L82 HydrophobicContact CG-CG 4.19Å; Y74-M86 HydrophobicContact CE2-CE 4.39Å
75T67.1Low79.1Confident83 Ų8358.7 Ų58.751%0.50932%0.319SS..THydrogen-bonded Turntrans-58.5-27.3-175.9-53.30000114.1I71 A72I71-T75 PolarHBondContact O-N 3.5Å; I71-T75 PolarHBondContact O-OG1 3.09Å; A72-T75 PolarHBondContact O-OG1 3.01Å
76Y67.9Low78.9Confident100 Ų10059.2 Ų59.239%0.39232%0.321SS..THydrogen-bonded Turntrans-101-14.4-167.2-72.9-99000115.6F9 Y74F9-Y76 HydrophobicContact CB-CE1 4Å; F9-Y76 HydrophobicContact CB-CE2 4.17Å; F9-Y76 AromaticContact CD2-CD1 3.84Å; F9-Y76 HydrophobicContact CD2-CD1 3.84Å; F9-Y76 AromaticContact CD2-CD2 3.16Å; F9-Y76 HydrophobicContact CD2-CD2 3.16Å; F9-Y76 HydrophobicContact CD2-CE1 4.01Å; F9-Y76 AromaticContact CD2-CE2 3.38Å; F9-Y76 HydrophobicContact CD2-CE2 3.38Å; F9-Y76 AromaticContact CD2-CG 3.4Å; F9-Y76 HydrophobicContact CD2-CG 3.4Å; F9-Y76 VanDerWaalsContact CD2-CG 3.4Å; F9-Y76 AromaticContact CD2-CZ 3.78Å; F9-Y76 HydrophobicContact CE2-CD1 4.27Å; F9-Y76 AromaticContact CE2-CD2 3.48Å; F9-Y76 HydrophobicContact CE2-CD2 3.48Å; F9-Y76 VanDerWaalsContact CE2-CD2 3.48Å; F9-Y76 HydrophobicContact CE2-CE2 4.17Å; F9-Y76 AromaticContact CE2-CG 3.53Å; F9-Y76 HydrophobicContact CE2-CG 3.53Å; F9-Y76 HydrophobicContact CG-CD1 4.39Å; F9-Y76 HydrophobicContact CG-CD2 4.29Å; F9-Y76 HydrophobicContact CG-CE1 4.32Å; F9-Y76 HydrophobicContact CG-CE2 4.24Å; F9-Y76 HydrophobicContact CG-CG 4.35Å; Y74-Y76 PolarHBondContact O-N 3.24Å; Y74-Y76 VanDerWaalsContact O-N 3.09Å
77S69.1Low78.9Confident114 Ų11458.8 Ų58.880%0.79732%0.317SS*.SBendtrans-163.762.8168.9-159.10000111.6
78P69Low79Confident49 Ų4964.8 Ų64.832%0.31834%0.339SS..  trans-77143.8-177.927.9-26.2000110.7Y74 M83Y74-P78 VanDerWaalsContact O-CB 3.22Å; Y74-P78 WeakPolarHBondContact O-CB 3.39Å; Y74-P78 WeakPolarHBondContact O-CD 3.23Å; Y74-P78 VanDerWaalsContact O-CG 3.24Å; Y74-P78 WeakPolarHBondContact O-CG 3.36Å; P78-M83 HydrophobicContact CB-CB 4.34Å
79S83.3Confident79.3Confident68 Ų6864.9 Ų64.948%0.47634%0.342SS..  trans-64.5143.7157.774.70000108.9Q81 L82 M83S79-Q81 PolarHBondContact O-N 2.88Å; S79-L82 PolarHBondContact O-N 3.01Å; S79-L82 VanDerWaalsContact O-N 3.07Å; S79-L82 WeakPolarHBondContact OG-CB 3.42Å; S79-L82 PolarHBondContact OG-N 3.34Å; S79-M83 PolarHBondContact O-N 3.1Å; S79-M83 VanDerWaalsContact O-N 3.08Å
80V83.9Confident79.9Confident92 Ų9265.9 Ų65.956%0.55835%0.348SS*.Hα-helixtrans-55.2-38.4178.9175.20000110.9K84V80-K84 HydrophobicContact CG1-CD 4.42Å; V80-K84 VanDerWaalsContact O-CG 3.32Å; V80-K84 WeakPolarHBondContact O-CG 3.41Å; V80-K84 PolarHBondContact O-N 3.28Å; V80-K84 VanDerWaalsContact O-N 3.14Å
81Q86.3Confident80.8Confident128 Ų12865.5 Ų65.560%0.59835%0.346SS*.Hα-helixtrans-66.2-41.1179.2-172.961.610.500112.3S79 K84 V85S79-Q81 PolarHBondContact O-N 2.88Å; Q81-K84 WeakPolarHBondContact O-CB 3.47Å; Q81-K84 PolarHBondContact O-N 2.89Å; Q81-V85 WeakPolarHBondContact O-CG2 3.36Å; Q81-V85 PolarHBondContact O-N 3.22Å
82L85.2Confident81.9Confident39 Ų3965 Ų6520%0.20435%0.345CS..Hα-helixtrans-66.1-42.5178.9-177.560000111.8Y74 S79 K84 V85 M86Y74-L82 HydrophobicContact CD1-CD2 3.2Å; Y74-L82 HydrophobicContact CD1-CG 4.37Å; Y74-L82 HydrophobicContact CD2-CD2 3.77Å; Y74-L82 HydrophobicContact CD2-CG 4.21Å; Y74-L82 HydrophobicContact CE1-CD2 3.27Å; Y74-L82 HydrophobicContact CE2-CD1 4.34Å; Y74-L82 HydrophobicContact CE2-CD2 3.83Å; Y74-L82 HydrophobicContact CE2-CG 4.39Å; Y74-L82 HydrophobicContact CG-CD2 3.46Å; Y74-L82 VanDerWaalsContact CG-CD2 3.46Å; Y74-L82 HydrophobicContact CG-CG 4.19Å; S79-L82 PolarHBondContact O-N 3.01Å; S79-L82 VanDerWaalsContact O-N 3.07Å; S79-L82 WeakPolarHBondContact OG-CB 3.42Å; S79-L82 PolarHBondContact OG-N 3.34Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 3.43Å; L82-V85 PolarHBondContact O-N 2.91Å; L82-M86 HydrophobicContact CD1-CE 3.51Å; L82-M86 HydrophobicContact CD1-CG 4.32Å; L82-M86 HydrophobicContact CG-CG 4.46Å; L82-M86 VanDerWaalsContact O-CG 3.31Å; L82-M86 WeakPolarHBondContact O-CG 3.37Å; L82-M86 PolarHBondContact O-N 3.4Å
83M84.6Confident83.2Confident74 Ų7466 Ų6637%0.36535%0.349SS..Hα-helixtrans-58.2-42.6174.3-177.9176.758.300111.6P78 S79 V85 M86 N87P78-M83 HydrophobicContact CB-CB 4.34Å; S79-M83 PolarHBondContact O-N 3.1Å; S79-M83 VanDerWaalsContact O-N 3.08Å; M83-V85 PolarHBondContact O-N 3.31Å; M83-M86 PolarHBondContact O-N 2.96Å; M83-N87 WeakPolarHBondContact O-CB 3.31Å; M83-N87 PolarHBondContact O-N 2.97Å
84K88.3Confident84.4Confident72 Ų7264.2 Ų64.231%0.31334%0.338SS..Hα-helixtrans-61-44.3175.7-70.8177.8175.8-178.70112.4V80 Q81 L82 Y88 N162V80-K84 HydrophobicContact CG1-CD 4.42Å; V80-K84 VanDerWaalsContact O-CG 3.32Å; V80-K84 WeakPolarHBondContact O-CG 3.41Å; V80-K84 PolarHBondContact O-N 3.28Å; V80-K84 VanDerWaalsContact O-N 3.14Å; Q81-K84 WeakPolarHBondContact O-CB 3.47Å; Q81-K84 PolarHBondContact O-N 2.89Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 3.43Å; K84-Y88 WeakPolarHBondContact O-CB 3.34Å; K84-Y88 PolarHBondContact O-N 2.98Å; K84-Y88 VanDerWaalsContact O-N 3.07Å; K84-N162 HydrophobicContact CB-CB 4.44Å; K84-N162 HydrophobicContact CD-CB 4.49Å; K84-N162 HydrophobicContact CG-CB 3.93Å
85V89.3Confident85.9Confident62 Ų6259.7 Ų59.738%0.37632%0.32SS..Hα-helixtrans-63.4-46.1177.2172.30000110.5Q81 L82 M83 Y88 L89Q81-V85 WeakPolarHBondContact O-CG2 3.36Å; Q81-V85 PolarHBondContact O-N 3.22Å; L82-V85 PolarHBondContact O-N 2.91Å; M83-V85 PolarHBondContact O-N 3.31Å; V85-Y88 WeakPolarHBondContact O-CB 3.25Å; V85-Y88 PolarHBondContact O-N 3.35Å; V85-L89 HydrophobicContact CG1-CD1 4.24Å; V85-L89 HydrophobicContact CG1-CG 4.48Å; V85-L89 WeakPolarHBondContact O-CG 3.3Å; V85-L89 PolarHBondContact O-N 2.91Å
86M88.9Confident87.4Confident23 Ų2358.6 Ų58.611%0.11331%0.31CS..Hα-helixtrans-63.7-43.6179.6-68.2-55.4148.300112.1V70 I71 Y74 L82 M83 Y88 L89 T90V70-M86 HydrophobicContact CB-SD 4.33Å; V70-M86 HydrophobicContact CG1-CE 3.66Å; V70-M86 HydrophobicContact CG1-SD 3.7Å; I71-M86 HydrophobicContact CG1-CB 4.22Å; Y74-M86 HydrophobicContact CE2-CE 4.39Å; L82-M86 HydrophobicContact CD1-CE 3.51Å; L82-M86 HydrophobicContact CD1-CG 4.32Å; L82-M86 HydrophobicContact CG-CG 4.46Å; L82-M86 VanDerWaalsContact O-CG 3.31Å; L82-M86 WeakPolarHBondContact O-CG 3.37Å; L82-M86 PolarHBondContact O-N 3.4Å; M83-M86 PolarHBondContact O-N 2.96Å; M86-Y88 VanDerWaalsContact C-N 3.29Å; M86-Y88 PolarHBondContact O-N 3.17Å; M86-L89 PolarHBondContact O-N 2.98Å; M86-L89 HydrophobicContact SD-CD1 4.19Å; M86-T90 PolarHBondContact O-N 3.33Å; M86-T90 PolarHBondContact O-OG1 3.49Å
87N90.9Very high88.7Confident25 Ų2553.9 Ų53.913%0.13429%0.292CS..Hα-helixtrans-60.5-39.1175.2-72.5-10.1000112.2M83 T90 V91 L158 N162 V164M83-N87 WeakPolarHBondContact O-CB 3.31Å; M83-N87 PolarHBondContact O-N 2.97Å; N87-T90 WeakPolarHBondContact O-CB 3.28Å; N87-T90 PolarHBondContact O-N 3.35Å; N87-V91 WeakPolarHBondContact O-CG2 3.35Å; N87-V91 PolarHBondContact O-N 3.18Å; N87-V91 VanDerWaalsContact O-N 3.16Å; N87-L158 HydrophobicContact CB-CD2 3.9Å; N87-N162 WeakPolarHBondContact CB-O 3.4Å; N87-N162 PolarHBondContact ND2-O 2.78Å; N87-V164 HydrophobicContact CB-CG2 3.63Å
88Y91.9Very high90Very high136 Ų13650 Ų5053%0.53326%0.262SS..Hα-helixtrans-64.8-44.6174.4179.7-94.7000112.1K84 V85 M86 T90 V91 T92 L158K84-Y88 WeakPolarHBondContact O-CB 3.34Å; K84-Y88 PolarHBondContact O-N 2.98Å; K84-Y88 VanDerWaalsContact O-N 3.07Å; V85-Y88 WeakPolarHBondContact O-CB 3.25Å; V85-Y88 PolarHBondContact O-N 3.35Å; M86-Y88 VanDerWaalsContact C-N 3.29Å; M86-Y88 PolarHBondContact O-N 3.17Å; Y88-T90 VanDerWaalsContact C-N 3.32Å; Y88-T90 PolarHBondContact O-N 3.39Å; Y88-V91 PolarHBondContact O-N 2.98Å; Y88-T92 HydrophobicContact CD1-CG2 4.38Å; Y88-T92 HydrophobicContact CD2-CG2 4.46Å; Y88-T92 HydrophobicContact CE1-CG2 3.95Å; Y88-T92 HydrophobicContact CE2-CG2 4.04Å; Y88-T92 WeakPolarHBondContact O-CB 3.49Å; Y88-T92 WeakPolarHBondContact O-CG2 3.4Å; Y88-T92 PolarHBondContact O-N 3.23Å; Y88-T92 VanDerWaalsContact O-N 3.1Å; Y88-T92 PolarHBondContact O-OG1 3.39Å; Y88-L158 HydrophobicContact CD2-CD1 4.06Å
89L92.3Very high91.4Very high47 Ų4748.7 Ų48.725%0.24625%0.252CS..Hα-helixtrans-61.6-39.1174.5-67.6178.9000111.8P66 V85 M86 T92 L93P66-L89 HydrophobicContact CB-CD1 4.5Å; V85-L89 HydrophobicContact CG1-CD1 4.24Å; V85-L89 HydrophobicContact CG1-CG 4.48Å; V85-L89 WeakPolarHBondContact O-CG 3.3Å; V85-L89 PolarHBondContact O-N 2.91Å; M86-L89 PolarHBondContact O-N 2.98Å; M86-L89 HydrophobicContact SD-CD1 4.19Å; L89-T92 WeakPolarHBondContact CA-OG1 3.43Å; L89-T92 PolarHBondContact O-N 2.93Å; L89-T92 PolarHBondContact O-OG1 3.34Å; L89-L93 HydrophobicContact CB-CD1 4.25Å; L89-L93 HydrophobicContact CD2-CD1 3.98Å; L89-L93 HydrophobicContact CD2-CG 4.39Å; L89-L93 VanDerWaalsContact O-CB 3.24Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.35Å
90T90.7Very high92.2Very high22 Ų2245.7 Ų45.714%0.13523%0.231CC..Hα-helixtrans-56-54.4173.7-55.20000111.4V67 I71 M86 N87 Y88 T92 Y94V67-T90 HydrophobicContact CG1-CG2 4.15Å; I71-T90 WeakPolarHBondContact CD1-OG1 3.16Å; M86-T90 PolarHBondContact O-N 3.33Å; M86-T90 PolarHBondContact O-OG1 3.49Å; N87-T90 WeakPolarHBondContact O-CB 3.28Å; N87-T90 PolarHBondContact O-N 3.35Å; Y88-T90 VanDerWaalsContact C-N 3.32Å; Y88-T90 PolarHBondContact O-N 3.39Å; T90-T92 VanDerWaalsContact C-N 3.25Å; T90-T92 PolarHBondContact O-N 2.97Å; T90-Y94 WeakPolarHBondContact O-CB 3.27Å; T90-Y94 PolarHBondContact O-N 3.41Å; T90-Y94 VanDerWaalsContact O-N 3.16Å
91V93.2Very high92.8Very high25 Ų2541.6 Ų41.615%0.15221%0.206CC..Hα-helixtrans-65.9-30.9-175.5175.40000111.8N87 Y88 P95 L158 V164N87-V91 WeakPolarHBondContact O-CG2 3.35Å; N87-V91 PolarHBondContact O-N 3.18Å; N87-V91 VanDerWaalsContact O-N 3.16Å; Y88-V91 PolarHBondContact O-N 2.98Å; V91-P95 WeakPolarHBondContact O-CD 3.28Å; V91-L158 HydrophobicContact CG2-CD2 3.99Å; V91-L158 HydrophobicContact CG2-CG 4.24Å; V91-V164 HydrophobicContact CG2-CG1 4.15Å; V91-V164 HydrophobicContact CG2-CG2 4.2Å
92T94Very high93.4Very high38 Ų3835.7 Ų35.723%0.23318%0.179CC..Hα-helixtrans-92.1-41.9-174.952.10000114.4Y88 L89 T90Y88-T92 HydrophobicContact CD1-CG2 4.38Å; Y88-T92 HydrophobicContact CD2-CG2 4.46Å; Y88-T92 HydrophobicContact CE1-CG2 3.95Å; Y88-T92 HydrophobicContact CE2-CG2 4.04Å; Y88-T92 WeakPolarHBondContact O-CB 3.49Å; Y88-T92 WeakPolarHBondContact O-CG2 3.4Å; Y88-T92 PolarHBondContact O-N 3.23Å; Y88-T92 VanDerWaalsContact O-N 3.1Å; Y88-T92 PolarHBondContact O-OG1 3.39Å; L89-T92 WeakPolarHBondContact CA-OG1 3.43Å; L89-T92 PolarHBondContact O-N 2.93Å; L89-T92 PolarHBondContact O-OG1 3.34Å; T90-T92 VanDerWaalsContact C-N 3.25Å; T90-T92 PolarHBondContact O-N 2.97Å
93L96.1Very high94Very high36 Ų3634.3 Ų34.319%0.18817%0.173CC..Hα-helixtrans-89.6-25.6-175.5-63.1-178.3000113.3S63 P66 V67 L89 I96 S97S63-L93 WeakPolarHBondContact O-CB 3.35Å; P66-L93 HydrophobicContact CB-CD1 3.98Å; P66-L93 HydrophobicContact CG-CD1 4.06Å; V67-L93 HydrophobicContact CG2-CB 3.64Å; L89-L93 HydrophobicContact CB-CD1 4.25Å; L89-L93 HydrophobicContact CD2-CD1 3.98Å; L89-L93 HydrophobicContact CD2-CG 4.39Å; L89-L93 VanDerWaalsContact O-CB 3.24Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.35Å; L93-I96 HydrophobicContact CD2-CD1 4.19Å; L93-I96 WeakPolarHBondContact O-CB 3.5Å; L93-I96 PolarHBondContact O-N 3.07Å; L93-I96 VanDerWaalsContact O-N 3.11Å; L93-S97 PolarHBondContact O-N 3.49Å
94Y94.6Very high94.7Very high20 Ų2031 Ų318%0.07816%0.157CC..Hα-helixtrans-56.4-46.4177.8166.1-97.9000113.4F68 T90 I96 S97 M98 R152 E155 Y156F68-Y94 HydrophobicContact CE1-CD2 4.24Å; F68-Y94 HydrophobicContact CZ-CD2 4.05Å; F68-Y94 HydrophobicContact CZ-CE2 4.45Å; T90-Y94 WeakPolarHBondContact O-CB 3.27Å; T90-Y94 PolarHBondContact O-N 3.41Å; T90-Y94 VanDerWaalsContact O-N 3.16Å; Y94-I96 VanDerWaalsContact C-N 3.29Å; Y94-I96 PolarHBondContact O-N 2.88Å; Y94-S97 PolarHBondContact O-N 3.16Å; Y94-S97 PolarHBondContact O-OG 3.24Å; Y94-M98 HydrophobicContact CD2-CG 4.47Å; Y94-M98 HydrophobicContact CE1-CG 4.42Å; Y94-M98 HydrophobicContact CE2-CE 3.77Å; Y94-M98 HydrophobicContact CE2-CG 3.99Å; Y94-M98 WeakPolarHBondContact O-CG 3.33Å; Y94-M98 PolarHBondContact O-N 3.5Å; Y94-M98 VanDerWaalsContact O-N 3.12Å; Y94-M98 VanDerWaalsContact OH-CE 3.26Å; Y94-M98 WeakPolarHBondContact OH-CE 3.34Å; Y94-R152 HydrophobicContact CE1-CB 4.43Å; Y94-R152 PolarHBondContact OH-NH1 3.3Å; Y94-E155 WeakPolarHBondContact CE1-OE2 3.44Å; Y94-E155 PolarHBondContact OH-OE2 2.88Å; Y94-Y156 HydrophobicContact CD1-CD2 4.3Å; Y94-Y156 HydrophobicContact CD1-CE2 4.19Å; Y94-Y156 HydrophobicContact CE1-CD2 4.44Å; Y94-Y156 AromaticContact CE1-CE2 3.98Å; Y94-Y156 HydrophobicContact CE1-CE2 3.98Å
95P97.1Very high95.2Very high1 Ų127.6 Ų27.61%0.00614%0.142CC..Hα-helixtrans-62.8-37.8175.9-24.637.3000112.1V91 M98 M99 R152 F153V91-P95 WeakPolarHBondContact O-CD 3.28Å; P95-M98 PolarHBondContact O-N 3.42Å; P95-M99 VanDerWaalsContact O-CG 3.25Å; P95-M99 WeakPolarHBondContact O-CG 3.31Å; P95-M99 PolarHBondContact O-N 3.13Å; P95-R152 HydrophobicContact CB-CB 3.92Å; P95-R152 HydrophobicContact CG-CB 4.2Å; P95-F153 HydrophobicContact CB-CD1 3.92Å; P95-F153 HydrophobicContact CB-CD2 4.03Å; P95-F153 HydrophobicContact CB-CE1 3.88Å; P95-F153 HydrophobicContact CB-CE2 4.02Å; P95-F153 HydrophobicContact CB-CG 3.98Å; P95-F153 HydrophobicContact CB-CZ 3.93Å; P95-F153 HydrophobicContact CG-CD1 3.67Å; P95-F153 HydrophobicContact CG-CE1 3.94Å; P95-F153 HydrophobicContact CG-CG 4Å; P95-F153 HydrophobicContact CG-CZ 4.49Å
96I98Very high95.6Very high59 Ų5928.4 Ų28.430%0.30314%0.139SC..Hα-helixtrans-65.7-41.6179.4-60.8174.8000110.7V59 L93 Y94 M98 M99 A100 F153V59-I96 HydrophobicContact CG1-CG2 3.92Å; L93-I96 HydrophobicContact CD2-CD1 4.19Å; L93-I96 WeakPolarHBondContact O-CB 3.5Å; L93-I96 PolarHBondContact O-N 3.07Å; L93-I96 VanDerWaalsContact O-N 3.11Å; Y94-I96 VanDerWaalsContact C-N 3.29Å; Y94-I96 PolarHBondContact O-N 2.88Å; I96-M98 VanDerWaalsContact C-N 3.33Å; I96-M98 PolarHBondContact O-N 2.99Å; I96-M99 WeakPolarHBondContact O-CB 3.41Å; I96-M99 PolarHBondContact O-N 3.43Å; I96-A100 WeakPolarHBondContact O-CB 3.31Å; I96-A100 PolarHBondContact O-N 3.46Å; I96-F153 HydrophobicContact CG1-CZ 4.12Å
97S97Very high96.1Very high1 Ų127.5 Ų27.51%0.00713%0.134CC..Hα-helixtrans-64.7-39.7176.770.50000111.3L60 S63 L93 Y94 M99 A100 H101L60-S97 WeakPolarHBondContact CD1-O 3.41Å; S63-S97 WeakPolarHBondContact OG-CA 3.45Å; S63-S97 VanDerWaalsContact OG-CB 3.32Å; S63-S97 WeakPolarHBondContact OG-CB 3.3Å; S63-S97 PolarHBondContact OG-N 3.18Å; L93-S97 PolarHBondContact O-N 3.49Å; Y94-S97 PolarHBondContact O-N 3.16Å; Y94-S97 PolarHBondContact O-OG 3.24Å; S97-M99 PolarHBondContact O-N 3.18Å; S97-A100 PolarHBondContact O-N 2.84Å; S97-H101 VanDerWaalsContact O-CB 3.31Å; S97-H101 WeakPolarHBondContact O-CB 3.38Å; S97-H101 PolarHBondContact O-N 3.42Å
98M96.6Very high96.4Very high33 Ų3326.8 Ų26.816%0.16313%0.13CC..Hα-helixtrans-65.4-38.1174.3-70.8-61.4-145.800113.3Y94 P95 I96 C102 N149 Y183Y94-M98 HydrophobicContact CD2-CG 4.47Å; Y94-M98 HydrophobicContact CE1-CG 4.42Å; Y94-M98 HydrophobicContact CE2-CE 3.77Å; Y94-M98 HydrophobicContact CE2-CG 3.99Å; Y94-M98 WeakPolarHBondContact O-CG 3.33Å; Y94-M98 PolarHBondContact O-N 3.5Å; Y94-M98 VanDerWaalsContact O-N 3.12Å; Y94-M98 VanDerWaalsContact OH-CE 3.26Å; Y94-M98 WeakPolarHBondContact OH-CE 3.34Å; P95-M98 PolarHBondContact O-N 3.42Å; I96-M98 VanDerWaalsContact C-N 3.33Å; I96-M98 PolarHBondContact O-N 2.99Å; M98-C102 WeakPolarHBondContact O-CB 3.42Å; M98-C102 PolarHBondContact O-N 3.36Å; M98-N149 PolarHBondContact O-ND2 2.99Å; M98-Y183 HydrophobicContact CE-CE2 4.37Å
99M98.4Very high96.7Very high21 Ų2120.7 Ų20.710%0.10311%0.107CC..Hα-helixtrans-62.1-48.2172.6-70.2171.1-173.300111.5P95 I96 S97 C102 A103 V146 N149 F150 F153P95-M99 VanDerWaalsContact O-CG 3.25Å; P95-M99 WeakPolarHBondContact O-CG 3.31Å; P95-M99 PolarHBondContact O-N 3.13Å; I96-M99 WeakPolarHBondContact O-CB 3.41Å; I96-M99 PolarHBondContact O-N 3.43Å; S97-M99 PolarHBondContact O-N 3.18Å; M99-C102 PolarHBondContact O-N 3.22Å; M99-A103 WeakPolarHBondContact O-CB 3.28Å; M99-A103 PolarHBondContact O-N 3.27Å; M99-V146 HydrophobicContact CE-CG1 4.47Å; M99-V146 HydrophobicContact SD-CB 4.4Å; M99-V146 HydrophobicContact SD-CG1 4.24Å; M99-V146 HydrophobicContact SD-CG2 4.13Å; M99-N149 HydrophobicContact CE-CB 4.18Å; M99-N149 HydrophobicContact CG-CB 3.54Å; M99-F150 HydrophobicContact CE-CD2 4.3Å; M99-F153 HydrophobicContact CE-CD2 4.09Å; M99-F153 HydrophobicContact CE-CE2 3.55Å; M99-F153 HydrophobicContact CE-CZ 4.45Å; M99-F153 HydrophobicContact SD-CE2 4.47Å
100A98.5Very high96.9Very high6 Ų619.7 Ų19.75%0.0510%0.104CC..Hα-helixtrans-65.5-40.5-179.700000112.1V59 L60 I96 S97 A103 S104V59-A100 HydrophobicContact CB-CB 3.89Å; V59-A100 HydrophobicContact CG1-CB 3.72Å; L60-A100 HydrophobicContact CB-CB 3.81Å; I96-A100 WeakPolarHBondContact O-CB 3.31Å; I96-A100 PolarHBondContact O-N 3.46Å; S97-A100 PolarHBondContact O-N 2.84Å; A100-A103 PolarHBondContact O-N 3.12Å; A100-S104 WeakPolarHBondContact O-CB 3.18Å; A100-S104 PolarHBondContact O-N 3.15Å
101H97.8Very high97.2Very high5 Ų518.7 Ų18.72%0.02310%0.098CC..Hα-helixtrans-59.6-50.3173.9-176-133.7000111.3L60 S97 A103 S104 V105 V187 N241L60-H101 HydrophobicContact CD1-CB 4.07Å; L60-H101 HydrophobicContact CD2-CB 4.12Å; S97-H101 VanDerWaalsContact O-CB 3.31Å; S97-H101 WeakPolarHBondContact O-CB 3.38Å; S97-H101 PolarHBondContact O-N 3.42Å; H101-A103 VanDerWaalsContact C-N 3.31Å; H101-A103 PolarHBondContact O-N 3.48Å; H101-S104 WeakPolarHBondContact O-CB 3.37Å; H101-S104 PolarHBondContact O-N 2.95Å; H101-V105 WeakPolarHBondContact O-CG2 3.48Å; H101-V105 PolarHBondContact O-N 3.46Å; H101-V187 WeakPolarHBondContact CE1-CG1 3.39Å; H101-N241 PolarHBondContact CE1-OD1 3Å
102C98.1Very high97.3Very high5 Ų517.7 Ų17.73%0.0349%0.092CC..Hα-helixtrans-58-43.9176.4-176.80000111.7M98 M99 S104 V105 W106 S145M98-C102 WeakPolarHBondContact O-CB 3.42Å; M98-C102 PolarHBondContact O-N 3.36Å; M99-C102 PolarHBondContact O-N 3.22Å; C102-S104 PolarHBondContact O-N 3.19Å; C102-V105 PolarHBondContact O-N 3.06Å; C102-W106 VanDerWaalsContact O-CD1 3.31Å; C102-W106 PolarHBondContact O-N 2.79Å; C102-W106 VanDerWaalsContact O-N 3.09Å; C102-S145 PolarHBondContact SG-OG 2.57Å; C102-S145 VanDerWaalsContact SG-OG 3.34Å
103A98.7Very high97.4Very high9 Ų918.4 Ų18.47%0.07410%0.096CC..Hα-helixtrans-63.6-40.4177.700000112.5A56 M99 A100 H101 T107 I141 S145A56-A103 HydrophobicContact CB-CB 4.16Å; M99-A103 WeakPolarHBondContact O-CB 3.28Å; M99-A103 PolarHBondContact O-N 3.27Å; A100-A103 PolarHBondContact O-N 3.12Å; H101-A103 VanDerWaalsContact C-N 3.31Å; H101-A103 PolarHBondContact O-N 3.48Å; A103-T107 VanDerWaalsContact O-CB 3.25Å; A103-T107 WeakPolarHBondContact O-CB 3.4Å; A103-T107 PolarHBondContact O-N 3.14Å; A103-T107 PolarHBondContact O-OG1 3.17Å; A103-I141 HydrophobicContact CB-CG2 4.27Å; A103-S145 WeakPolarHBondContact CA-OG 3.25Å; A103-S145 PolarHBondContact N-OG 3.49Å
104S98.4Very high97.4Very high4 Ų417.4 Ų17.43%0.0289%0.091CC..Hα-helixtrans-60.8-49.9175.5174.90000111.2L53 D57 A100 H101 C102 W106 T107 M108L53-S104 VanDerWaalsContact CD1-O 3.3Å; L53-S104 WeakPolarHBondContact CD1-O 3.43Å; L53-S104 WeakPolarHBondContact CD1-OG 3.37Å; D57-S104 VanDerWaalsContact OD1-CB 3.28Å; D57-S104 WeakPolarHBondContact OD1-CB 3.2Å; D57-S104 PolarHBondContact OD1-OG 3.12Å; A100-S104 WeakPolarHBondContact O-CB 3.18Å; A100-S104 PolarHBondContact O-N 3.15Å; H101-S104 WeakPolarHBondContact O-CB 3.37Å; H101-S104 PolarHBondContact O-N 2.95Å; C102-S104 PolarHBondContact O-N 3.19Å; S104-W106 PolarHBondContact O-N 2.68Å; S104-T107 PolarHBondContact O-N 3.11Å; S104-M108 WeakPolarHBondContact O-CB 3.26Å; S104-M108 PolarHBondContact O-N 3.37Å
105V98.1Very high97.4Very high1 Ų116.9 Ų16.91%0.0069%0.089CC..Hα-helixtrans-57.7-51.6179.5173.50000111.9H101 C102 T107 M108 V109 V187 P191 F237H101-V105 WeakPolarHBondContact O-CG2 3.48Å; H101-V105 PolarHBondContact O-N 3.46Å; C102-V105 PolarHBondContact O-N 3.06Å; V105-T107 VanDerWaalsContact C-N 3.33Å; V105-T107 PolarHBondContact O-N 2.9Å; V105-M108 PolarHBondContact O-N 2.98Å; V105-V109 WeakPolarHBondContact O-CG2 3.22Å; V105-V109 PolarHBondContact O-N 3.06Å; V105-V187 HydrophobicContact CG2-CG1 4.32Å; V105-P191 HydrophobicContact CG1-CB 3.43Å; V105-P191 VanDerWaalsContact CG1-CB 3.43Å; V105-P191 HydrophobicContact CG1-CG 3.5Å; V105-P191 VanDerWaalsContact CG1-CG 3.5Å; V105-F237 HydrophobicContact CB-CE2 4.34Å; V105-F237 HydrophobicContact CG1-CE2 3.81Å; V105-F237 HydrophobicContact CG1-CZ 3.96Å; V105-F237 HydrophobicContact CG2-CE2 3.73Å
106W98.6Very high97.3Very high80 Ų8020 Ų2030%0.30310%0.101SC..Hα-helixtrans-70.2-29.8-179.2-77.399.9000113C102 S104 V109 S110 I141 T186 I190 P191C102-W106 VanDerWaalsContact O-CD1 3.31Å; C102-W106 PolarHBondContact O-N 2.79Å; C102-W106 VanDerWaalsContact O-N 3.09Å; S104-W106 PolarHBondContact O-N 2.68Å; W106-V109 HydrophobicContact CE3-CB 4.43Å; W106-V109 HydrophobicContact CE3-CG1 4.4Å; W106-V109 PolarHBondContact O-N 3.34Å; W106-S110 PolarHBondContact O-N 3.29Å; W106-S110 PolarHBondContact O-OG 2.96Å; W106-I141 HydrophobicContact CB-CD1 4.45Å; W106-I141 HydrophobicContact CB-CG1 4.23Å; W106-I141 HydrophobicContact CB-CG2 3.83Å; W106-T186 PolarHBondContact NE1-O 3.35Å; W106-I190 HydrophobicContact CH2-CG2 3.83Å; W106-P191 HydrophobicContact CZ2-CG 4.37Å
107T98.3Very high97.1Very high3 Ų318.3 Ų18.32%0.0189%0.092CC..Hα-helixtrans-67.5-40.2172.2-56.80000111.2L49 L53 A103 S104 V105 V109 S110 V111 L138L49-T107 VanDerWaalsContact O-CG2 3.31Å; L49-T107 WeakPolarHBondContact O-CG2 3.47Å; L53-T107 HydrophobicContact CB-CG2 3.79Å; L53-T107 HydrophobicContact CD1-CG2 4.46Å; A103-T107 VanDerWaalsContact O-CB 3.25Å; A103-T107 WeakPolarHBondContact O-CB 3.4Å; A103-T107 PolarHBondContact O-N 3.14Å; A103-T107 PolarHBondContact O-OG1 3.17Å; S104-T107 PolarHBondContact O-N 3.11Å; V105-T107 VanDerWaalsContact C-N 3.33Å; V105-T107 PolarHBondContact O-N 2.9Å; T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 PolarHBondContact O-N 3.38Å; T107-S110 WeakPolarHBondContact O-CB 3.4Å; T107-S110 PolarHBondContact O-N 3.32Å; T107-V111 WeakPolarHBondContact O-CG2 3.37Å; T107-V111 PolarHBondContact O-N 2.85Å; T107-L138 HydrophobicContact CG2-CD2 3.59Å
108M97.2Very high96.9Very high11 Ų1118.8 Ų18.85%0.05410%0.096CC..Hα-helixtrans-65.2-36.9175-178.4-174.560.600112.3L53 S104 V105 V111 S112 L195 F237L53-M108 HydrophobicContact CD1-CB 4.28Å; L53-M108 HydrophobicContact CD2-CB 4.46Å; S104-M108 WeakPolarHBondContact O-CB 3.26Å; S104-M108 PolarHBondContact O-N 3.37Å; V105-M108 PolarHBondContact O-N 2.98Å; M108-V111 PolarHBondContact O-N 3.15Å; M108-S112 PolarHBondContact O-N 2.89Å; M108-S112 PolarHBondContact O-OG 3.49Å; M108-L195 HydrophobicContact CE-CD1 3.4Å; M108-L195 HydrophobicContact CG-CD2 4.44Å; M108-F237 HydrophobicContact CE-CB 3.6Å; M108-F237 HydrophobicContact CE-CD1 4.02Å; M108-F237 HydrophobicContact CE-CD2 3.09Å; M108-F237 HydrophobicContact CE-CE2 3.69Å; M108-F237 HydrophobicContact CE-CG 3.28Å; M108-F237 HydrophobicContact CE-CZ 4.35Å; M108-F237 HydrophobicContact SD-CB 3.99Å; M108-F237 HydrophobicContact SD-CD2 4.32Å; M108-F237 HydrophobicContact SD-CG 4.33Å
109V98.2Very high96.7Very high8 Ų818.4 Ų18.45%0.04810%0.096CC..Hα-helixtrans-58.2-49.81691720000110.3V105 W106 T107 V111 S112 V113 P191 T194 L195V105-V109 WeakPolarHBondContact O-CG2 3.22Å; V105-V109 PolarHBondContact O-N 3.06Å; W106-V109 HydrophobicContact CE3-CB 4.43Å; W106-V109 HydrophobicContact CE3-CG1 4.4Å; W106-V109 PolarHBondContact O-N 3.34Å; T107-V109 VanDerWaalsContact C-N 3.34Å; T107-V109 PolarHBondContact O-N 3.38Å; V109-V111 PolarHBondContact O-N 3.33Å; V109-S112 WeakPolarHBondContact O-CB 3.3Å; V109-S112 PolarHBondContact O-N 2.91Å; V109-S112 VanDerWaalsContact O-N 3.1Å; V109-V113 HydrophobicContact CG1-CG2 4.32Å; V109-V113 WeakPolarHBondContact O-CG2 3.43Å; V109-V113 PolarHBondContact O-N 3.27Å; V109-P191 HydrophobicContact CG2-CB 3.9Å; V109-T194 HydrophobicContact CG1-CG2 3.69Å; V109-L195 HydrophobicContact CG2-CD1 4.44Å; V109-L195 HydrophobicContact CG2-CD2 4.28Å; V109-L195 HydrophobicContact CG2-CG 4.1Å
110S97.9Very high96.4Very high25 Ų2518.7 Ų18.718%0.17510%0.099CC..Hα-helixtrans-60.1-40.7177.3-72.20000113.5W106 T107 S112 V113 E114 C137W106-S110 PolarHBondContact O-N 3.29Å; W106-S110 PolarHBondContact O-OG 2.96Å; T107-S110 WeakPolarHBondContact O-CB 3.4Å; T107-S110 PolarHBondContact O-N 3.32Å; S110-S112 VanDerWaalsContact C-N 3.3Å; S110-S112 PolarHBondContact O-N 3.03Å; S110-V113 PolarHBondContact O-N 3.01Å; S110-E114 WeakPolarHBondContact O-CB 3.15Å; S110-E114 PolarHBondContact O-N 2.96Å; S110-C137 PolarHBondContact OG-SG 3.37Å; S110-C137 VanDerWaalsContact OG-SG 3.35Å
111V95.8Very high96.1Very high2 Ų222.6 Ų22.61%0.01212%0.116CC..Hα-helixtrans-58.2-44.4173.7167.30000110.6M46 L49 L50 T107 M108 V109 R115 M230M46-V111 HydrophobicContact CE-CB 4.44Å; M46-V111 HydrophobicContact CE-CG1 3.81Å; M46-V111 WeakPolarHBondContact CE-O 3.16Å; M46-V111 HydrophobicContact SD-CG1 4.41Å; L49-V111 HydrophobicContact CB-CG2 3.74Å; L49-V111 HydrophobicContact CD1-CG2 4.43Å; L50-V111 HydrophobicContact CD2-CG1 4.13Å; L50-V111 HydrophobicContact CD2-CG2 4.1Å; T107-V111 WeakPolarHBondContact O-CG2 3.37Å; T107-V111 PolarHBondContact O-N 2.85Å; M108-V111 PolarHBondContact O-N 3.15Å; V109-V111 PolarHBondContact O-N 3.33Å; V111-R115 WeakPolarHBondContact O-CG 3.26Å; V111-R115 PolarHBondContact O-N 2.94Å; V111-M230 HydrophobicContact CG1-CE 4.01Å; V111-M230 HydrophobicContact CG1-SD 4.41Å
112S96.2Very high95.7Very high4 Ų425.8 Ų25.83%0.02814%0.138CC..Hα-helixtrans-69.1-41.7179.8-64.90000112.3M108 V109 S110 R115 Y116 L195 V198M108-S112 PolarHBondContact O-N 2.89Å; M108-S112 PolarHBondContact O-OG 3.49Å; V109-S112 WeakPolarHBondContact O-CB 3.3Å; V109-S112 PolarHBondContact O-N 2.91Å; V109-S112 VanDerWaalsContact O-N 3.1Å; S110-S112 VanDerWaalsContact C-N 3.3Å; S110-S112 PolarHBondContact O-N 3.03Å; S112-R115 WeakPolarHBondContact O-CB 3.17Å; S112-R115 PolarHBondContact O-N 2.68Å; S112-Y116 PolarHBondContact O-N 3.33Å; S112-L195 WeakPolarHBondContact OG-CD2 3.49Å; S112-V198 VanDerWaalsContact O-CG1 3.28Å; S112-V198 WeakPolarHBondContact O-CG1 3.4Å
113V96.4Very high95.4Very high53 Ų5333.5 Ų33.532%0.32118%0.178SC..Hα-helixtrans-62.2-44175.6171.10000110.8V109 S110 R115 Y116 I117 T194 V198V109-V113 HydrophobicContact CG1-CG2 4.32Å; V109-V113 WeakPolarHBondContact O-CG2 3.43Å; V109-V113 PolarHBondContact O-N 3.27Å; S110-V113 PolarHBondContact O-N 3.01Å; V113-R115 VanDerWaalsContact C-N 3.33Å; V113-R115 PolarHBondContact O-N 3.24Å; V113-Y116 WeakPolarHBondContact O-CB 3.48Å; V113-Y116 PolarHBondContact O-N 2.76Å; V113-I117 HydrophobicContact CG1-CD1 3.98Å; V113-I117 WeakPolarHBondContact O-CG1 3.28Å; V113-I117 PolarHBondContact O-N 3.4Å; V113-T194 HydrophobicContact CG2-CG2 4.41Å; V113-V198 HydrophobicContact CG2-CG2 4.29Å
114E95.7Very high95Very high15 Ų1534.8 Ų34.87%0.0719%0.188CC..Hα-helixtrans-62.8-39.2175.3-177171140.500111.9S45 M46 L49 S110 Y116 I117 A118 C129S45-E114 VanDerWaalsContact CB-OE1 3.25Å; S45-E114 WeakPolarHBondContact CB-OE1 3.28Å; S45-E114 WeakPolarHBondContact CB-OE2 3.47Å; S45-E114 PolarHBondContact OG-OE1 3.19Å; M46-E114 WeakPolarHBondContact CA-OE1 3.35Å; M46-E114 WeakPolarHBondContact CB-OE1 3.45Å; M46-E114 HydrophobicContact CE-CB 4.19Å; M46-E114 HydrophobicContact CE-CG 4.25Å; M46-E114 PolarHBondContact N-OE1 3.08Å; L49-E114 HydrophobicContact CD1-CB 4.11Å; L49-E114 WeakPolarHBondContact CD1-OE2 3.39Å; S110-E114 WeakPolarHBondContact O-CB 3.15Å; S110-E114 PolarHBondContact O-N 2.96Å; E114-Y116 VanDerWaalsContact C-N 3.33Å; E114-Y116 PolarHBondContact O-N 3.46Å; E114-I117 PolarHBondContact O-N 3.18Å; E114-A118 WeakPolarHBondContact O-CB 3.23Å; E114-A118 PolarHBondContact O-N 3.03Å; E114-C129 HydrophobicContact CG-CB 4.25Å
115R94.2Very high94.6Very high9 Ų934.7 Ų34.73%0.03419%0.187CC..Hα-helixtrans-60.1-44.2172.5-78.9-58.7108.8-128.8-4.8111.9M46 V111 S112 V113 A118 V119 I202 M230 F315M46-R115 HydrophobicContact CE-CG 4Å; M46-R115 VanDerWaalsContact CE-CZ 3.42Å; M46-R115 PolarHBondContact SD-NE 3.39Å; M46-R115 PolarHBondContact SD-NH2 2.85Å; V111-R115 WeakPolarHBondContact O-CG 3.26Å; V111-R115 PolarHBondContact O-N 2.94Å; S112-R115 WeakPolarHBondContact O-CB 3.17Å; S112-R115 PolarHBondContact O-N 2.68Å; V113-R115 VanDerWaalsContact C-N 3.33Å; V113-R115 PolarHBondContact O-N 3.24Å; R115-A118 PolarHBondContact O-N 2.94Å; R115-V119 WeakPolarHBondContact O-CG2 3.41Å; R115-V119 PolarHBondContact O-N 3.45Å; R115-I202 HydrophobicContact CB-CD1 4Å; R115-M230 HydrophobicContact CG-CE 3.39Å; R115-M230 HydrophobicContact CG-CG 4.02Å; R115-M230 HydrophobicContact CG-SD 3.76Å; R115-F315 VanDerWaalsContact NH2-CE1 3.32Å
116Y95.2Very high94Very high66 Ų6642.2 Ų42.226%0.25922%0.215SC..Hα-helixtrans-60.5-47.8177.5164.2-93.8000111.7S112 V113 E114 A118 V119 C120 H121 V198 C201 I202S112-Y116 PolarHBondContact O-N 3.33Å; V113-Y116 WeakPolarHBondContact O-CB 3.48Å; V113-Y116 PolarHBondContact O-N 2.76Å; E114-Y116 VanDerWaalsContact C-N 3.33Å; E114-Y116 PolarHBondContact O-N 3.46Å; Y116-A118 VanDerWaalsContact C-N 3.27Å; Y116-A118 PolarHBondContact O-N 3.25Å; Y116-V119 PolarHBondContact O-N 2.89Å; Y116-V119 VanDerWaalsContact O-N 3.1Å; Y116-C120 HydrophobicContact CD2-CB 4.05Å; Y116-C120 WeakPolarHBondContact CD2-SG 3.45Å; Y116-C120 HydrophobicContact CE2-CB 3.68Å; Y116-C120 WeakPolarHBondContact CE2-SG 3.46Å; Y116-C120 WeakPolarHBondContact O-CB 3.33Å; Y116-C120 PolarHBondContact O-N 3.38Å; Y116-H121 AromaticContact CE1-CD2 3.95Å; Y116-H121 AromaticContact CE1-NE2 3.89Å; Y116-H121 AromaticContact CZ-NE2 3.88Å; Y116-H121 PolarHBondContact OH-NE2 2.92Å; Y116-V198 VanDerWaalsContact CB-CG1 3.47Å; Y116-V198 HydrophobicContact CG-CG1 4.19Å; Y116-C201 HydrophobicContact CD2-CB 3.86Å; Y116-C201 HydrophobicContact CE2-CB 3.57Å; Y116-I202 HydrophobicContact CD2-CG1 4.27Å
117I95.2Very high93.7Very high24 Ų2442.3 Ų42.312%0.12323%0.229CC..Hα-helixtrans-57.9-43.4175.8-64.2159.6000110.3V113 E114 V119 H121 V125 I128V113-I117 HydrophobicContact CG1-CD1 3.98Å; V113-I117 WeakPolarHBondContact O-CG1 3.28Å; V113-I117 PolarHBondContact O-N 3.4Å; E114-I117 PolarHBondContact O-N 3.18Å; I117-V119 VanDerWaalsContact C-N 3.29Å; I117-V119 PolarHBondContact O-N 3.49Å; I117-H121 HydrophobicContact CG2-CB 4.44Å; I117-H121 CarbonylContact O-C 3.46Å; I117-H121 VanDerWaalsContact O-CA 3.27Å; I117-H121 WeakPolarHBondContact O-CA 3.5Å; I117-H121 WeakPolarHBondContact O-CB 3.36Å; I117-H121 PolarHBondContact O-N 2.99Å; I117-V125 HydrophobicContact CG2-CB 4.2Å; I117-V125 HydrophobicContact CG2-CG2 4.21Å; I117-I128 HydrophobicContact CD1-CG2 3.89Å; I117-I128 HydrophobicContact CG2-CB 4.27Å; I117-I128 HydrophobicContact CG2-CD1 4.1Å; I117-I128 HydrophobicContact CG2-CG2 4.21Å
118A92.7Very high93.3Very high11 Ų1145.7 Ų45.79%0.09125%0.246CC..Hα-helixtrans-66.3-26.3179.500000114.5E114 R115 Y116 V125E114-A118 WeakPolarHBondContact O-CB 3.23Å; E114-A118 PolarHBondContact O-N 3.03Å; R115-A118 PolarHBondContact O-N 2.94Å; Y116-A118 VanDerWaalsContact C-N 3.27Å; Y116-A118 PolarHBondContact O-N 3.25Å; A118-V125 HydrophobicContact CB-CG2 4.08Å
119V92.1Very high93.2Very high25 Ų2546 Ų4615%0.15225%0.249CC..Hα-helixtrans-94.1-48-179.3172.80000111.6R115 Y116 I117 I202 T205 I206R115-V119 WeakPolarHBondContact O-CG2 3.41Å; R115-V119 PolarHBondContact O-N 3.45Å; Y116-V119 PolarHBondContact O-N 2.89Å; Y116-V119 VanDerWaalsContact O-N 3.1Å; I117-V119 VanDerWaalsContact C-N 3.29Å; I117-V119 PolarHBondContact O-N 3.49Å; V119-I202 HydrophobicContact CG1-CG2 4.39Å; V119-I202 HydrophobicContact CG2-CG2 4.42Å; V119-T205 HydrophobicContact CG1-CG2 4.01Å; V119-I206 HydrophobicContact CG1-CD1 4.39Å; V119-I206 HydrophobicContact CG1-CG1 4.1Å
120C91.8Very high93Very high27 Ų2747.2 Ų47.218%0.18226%0.258CS..Hα-helixtrans-87.4-26.6-173.6-60.30000112.7Y116 P122 T205Y116-C120 HydrophobicContact CD2-CB 4.05Å; Y116-C120 WeakPolarHBondContact CD2-SG 3.45Å; Y116-C120 HydrophobicContact CE2-CB 3.68Å; Y116-C120 WeakPolarHBondContact CE2-SG 3.46Å; Y116-C120 WeakPolarHBondContact O-CB 3.33Å; Y116-C120 PolarHBondContact O-N 3.38Å; C120-P122 VanDerWaalsContact C-CD 3.42Å; C120-P122 WeakPolarHBondContact O-CD 3.16Å; C120-T205 PolarHBondContact SG-OG1 2.91Å
121H92.2Very high92.8Very high87 Ų8748.6 Ų48.640%0.40327%0.266SS..  trans-128.357.5-179.2-56.4-71.5000112.8Y116 I117 L123 A124 V125Y116-H121 AromaticContact CE1-CD2 3.95Å; Y116-H121 AromaticContact CE1-NE2 3.89Å; Y116-H121 AromaticContact CZ-NE2 3.88Å; Y116-H121 PolarHBondContact OH-NE2 2.92Å; I117-H121 HydrophobicContact CG2-CB 4.44Å; I117-H121 CarbonylContact O-C 3.46Å; I117-H121 VanDerWaalsContact O-CA 3.27Å; I117-H121 WeakPolarHBondContact O-CA 3.5Å; I117-H121 WeakPolarHBondContact O-CB 3.36Å; I117-H121 PolarHBondContact O-N 2.99Å; H121-L123 PolarHBondContact O-N 3.43Å; H121-L123 VanDerWaalsContact O-N 3.08Å; H121-A124 HydrophobicContact CB-CB 4.35Å; H121-A124 PolarHBondContact O-N 2.88Å; H121-A124 VanDerWaalsContact O-N 3.09Å; H121-V125 PolarHBondContact O-N 3.1Å; H121-V125 VanDerWaalsContact O-N 3.12Å
122P89.5Confident92.8Very high73 Ų7358.7 Ų58.747%0.47430%0.304SS..THydrogen-bonded Turntrans-65-18.5-170.627.7-37000114.9C120 V125C120-P122 VanDerWaalsContact C-CD 3.42Å; C120-P122 WeakPolarHBondContact O-CD 3.16Å; P122-V125 WeakPolarHBondContact O-CG1 3.44Å
123L91.1Very high92.8Very high167 Ų16763.7 Ų63.787%0.87433%0.325SS*.THydrogen-bonded Turntrans-86.4-29.3176.6-60.1179.1000112.6H121H121-L123 PolarHBondContact O-N 3.43Å; H121-L123 VanDerWaalsContact O-N 3.08Å
124A90.6Very high92.9Very high35 Ų3561.4 Ų61.429%0.28931%0.311SS..THydrogen-bonded Turntrans-92-19-177.500000113H121 R126 S127 I128H121-A124 HydrophobicContact CB-CB 4.35Å; H121-A124 PolarHBondContact O-N 2.88Å; H121-A124 VanDerWaalsContact O-N 3.09Å; A124-R126 PolarHBondContact O-N 2.86Å; A124-R126 VanDerWaalsContact O-N 3.09Å; A124-S127 PolarHBondContact O-N 3.25Å; A124-S127 PolarHBondContact O-OG 3.35Å; A124-I128 HydrophobicContact CB-CD1 3.61Å; A124-I128 HydrophobicContact CB-CG1 4.33Å; A124-I128 WeakPolarHBondContact O-CG1 3.17Å; A124-I128 PolarHBondContact O-N 3.48Å
125V90.2Very high92.9Very high2 Ų264 Ų641%0.01233%0.328CS..Hα-helixtrans-52.1-33.8-179.265.90000115.1I117 A118 H121 P122 S127 I128 C129 F317I117-V125 HydrophobicContact CG2-CB 4.2Å; I117-V125 HydrophobicContact CG2-CG2 4.21Å; A118-V125 HydrophobicContact CB-CG2 4.08Å; H121-V125 PolarHBondContact O-N 3.1Å; H121-V125 VanDerWaalsContact O-N 3.12Å; P122-V125 WeakPolarHBondContact O-CG1 3.44Å; V125-S127 VanDerWaalsContact C-N 3.33Å; V125-S127 PolarHBondContact O-N 3.03Å; V125-I128 PolarHBondContact O-N 3.41Å; V125-C129 HydrophobicContact CG2-CB 4.08Å; V125-C129 WeakPolarHBondContact O-CA 3.34Å; V125-C129 WeakPolarHBondContact O-CB 3.46Å; V125-C129 PolarHBondContact O-N 3.49Å; V125-F317 HydrophobicContact CB-CE1 3.91Å; V125-F317 HydrophobicContact CB-CZ 3.8Å; V125-F317 HydrophobicContact CG1-CD1 3.54Å; V125-F317 HydrophobicContact CG1-CD2 4.46Å; V125-F317 HydrophobicContact CG1-CE1 2.98Å; V125-F317 HydrophobicContact CG1-CE2 3.95Å; V125-F317 HydrophobicContact CG1-CG 4.3Å; V125-F317 HydrophobicContact CG1-CZ 3.22Å; V125-F317 HydrophobicContact CG2-CE1 3.8Å; V125-F317 HydrophobicContact CG2-CE2 4.07Å; V125-F317 HydrophobicContact CG2-CZ 3.23Å
126R85.9Confident93.1Very high159 Ų15967.5 Ų67.560%0.635%0.351SS*.Hα-helixtrans-69.3-30.1178.3-73.5-173.7177.7-133.54.5112.9A124 F317A124-R126 PolarHBondContact O-N 2.86Å; A124-R126 VanDerWaalsContact O-N 3.09Å; R126-F317 HydrophobicContact CG-CD2 3.97Å; R126-F317 HydrophobicContact CG-CG 4.17Å; R126-F317 PolarHBondContact NH2-O 3.45Å; R126-F317 VanDerWaalsContact NH2-O 3.14Å
127S90.7Very high93.3Very high83 Ų8366.1 Ų66.158%0.5835%0.35SS*.Hα-helixtrans-87.7-31.8176.360.90000111.7A124 V125 K133A124-S127 PolarHBondContact O-N 3.25Å; A124-S127 PolarHBondContact O-OG 3.35Å; V125-S127 VanDerWaalsContact C-N 3.33Å; V125-S127 PolarHBondContact O-N 3.03Å; S127-K133 PolarHBondContact O-NZ 3.43Å
128I91.2Very high93.5Very high73 Ų7366.2 Ų66.237%0.37435%0.351SS..Hα-helixtrans-82.2-50.8-177.6-60.7170.3000111.5I117 A124 V125 K133I117-I128 HydrophobicContact CD1-CG2 3.89Å; I117-I128 HydrophobicContact CG2-CB 4.27Å; I117-I128 HydrophobicContact CG2-CD1 4.1Å; I117-I128 HydrophobicContact CG2-CG2 4.21Å; A124-I128 HydrophobicContact CB-CD1 3.61Å; A124-I128 HydrophobicContact CB-CG1 4.33Å; A124-I128 WeakPolarHBondContact O-CG1 3.17Å; A124-I128 PolarHBondContact O-N 3.48Å; V125-I128 PolarHBondContact O-N 3.41Å; I128-K133 WeakPolarHBondContact O-CD 3.08Å; I128-K133 PolarHBondContact O-NZ 3.31Å
129C93.5Very high93.7Very high18 Ų1869.8 Ų69.812%0.12237%0.371CS..  trans-101.3118.7-173.9-54.50000110E114 V125E114-C129 HydrophobicContact CG-CB 4.25Å; V125-C129 HydrophobicContact CG2-CB 4.08Å; V125-C129 WeakPolarHBondContact O-CA 3.34Å; V125-C129 WeakPolarHBondContact O-CB 3.46Å; V125-C129 PolarHBondContact O-N 3.49Å
130S94.7Very high94.1Very high34 Ų3472.8 Ų72.824%0.23839%0.385CS..  trans-144.1153.2175.977.20000111.1R132 K133 S134S130-R132 VanDerWaalsContact C-N 3.27Å; S130-R132 PolarHBondContact O-N 3.38Å; S130-K133 PolarHBondContact O-N 2.84Å; S130-K133 WeakPolarHBondContact OG-CG 3.33Å; S130-K133 PolarHBondContact OG-N 2.94Å; S130-S134 PolarHBondContact O-N 3Å; S130-S134 PolarHBondContact O-OG 3.42Å
131P94.4Very high94.4Very high53 Ų5372.2 Ų72.234%0.34438%0.381SS..Hα-helixtrans-50.2-44.4178.8-33.239.1000113.9P43 I48 K133 S134 V135P43-P131 VanDerWaalsContact O-CG 3.28Å; P43-P131 WeakPolarHBondContact O-CG 3.5Å; I48-P131 HydrophobicContact CD1-CB 3.49Å; I48-P131 VanDerWaalsContact CD1-CB 3.49Å; I48-P131 HydrophobicContact CD1-CG 4.49Å; I48-P131 WeakPolarHBondContact CD1-O 3.31Å; P131-K133 PolarHBondContact O-N 2.94Å; P131-S134 PolarHBondContact O-N 3.42Å; P131-V135 WeakPolarHBondContact O-CG2 3.22Å; P131-V135 PolarHBondContact O-N 3.47Å
132R95.1Very high94.7Very high214 Ų21471.7 Ų71.781%0.80838%0.383SS*.Hα-helixtrans-62.1-44178.7-64.5-178.4-174.7162.30.6111.9S130 S134 V135 T136S130-R132 VanDerWaalsContact C-N 3.27Å; S130-R132 PolarHBondContact O-N 3.38Å; R132-S134 VanDerWaalsContact C-N 3.34Å; R132-S134 PolarHBondContact O-N 2.94Å; R132-V135 PolarHBondContact O-N 3.33Å; R132-T136 PolarHBondContact O-N 2.95Å; R132-T136 PolarHBondContact O-OG1 3.39Å; R132-T136 VanDerWaalsContact O-OG1 3.14Å
133K96.3Very high95.1Very high109 Ų10972.4 Ų72.447%0.47439%0.386SS..Hα-helixtrans-66-36.8178-71176.9174.8-175.10111.9S127 I128 S130 P131 T136 C137S127-K133 PolarHBondContact O-NZ 3.43Å; I128-K133 WeakPolarHBondContact O-CD 3.08Å; I128-K133 PolarHBondContact O-NZ 3.31Å; S130-K133 PolarHBondContact O-N 2.84Å; S130-K133 WeakPolarHBondContact OG-CG 3.33Å; S130-K133 PolarHBondContact OG-N 2.94Å; P131-K133 PolarHBondContact O-N 2.94Å; K133-T136 PolarHBondContact O-N 2.79Å; K133-C137 WeakPolarHBondContact O-CB 3.48Å; K133-C137 PolarHBondContact O-N 3.35Å
134S97.5Very high95.5Very high5 Ų569.7 Ų69.74%0.03537%0.372CS..Hα-helixtrans-64.6-40.4174.7-58.30000112S45 S130 P131 R132 C137 L138S45-S134 VanDerWaalsContact CA-OG 3.27Å; S45-S134 WeakPolarHBondContact CA-OG 3.46Å; S45-S134 WeakPolarHBondContact CB-OG 3.35Å; S45-S134 WeakPolarHBondContact O-CB 3.33Å; S45-S134 PolarHBondContact O-OG 3.48Å; S45-S134 VanDerWaalsContact O-OG 3.12Å; S130-S134 PolarHBondContact O-N 3Å; S130-S134 PolarHBondContact O-OG 3.42Å; P131-S134 PolarHBondContact O-N 3.42Å; R132-S134 VanDerWaalsContact C-N 3.34Å; R132-S134 PolarHBondContact O-N 2.94Å; S134-C137 WeakPolarHBondContact O-CB 3.35Å; S134-C137 PolarHBondContact O-N 3.29Å; S134-L138 WeakPolarHBondContact O-CG 3.3Å; S134-L138 PolarHBondContact O-N 2.87Å
135V97.6Very high95.9Very high71 Ų7168.2 Ų68.243%0.4336%0.36SS..Hα-helixtrans-61.8-48.6172.91750000110.9I48 P131 R132 C137 L138 V139I48-V135 HydrophobicContact CD1-CG2 4.16Å; I48-V135 HydrophobicContact CG2-CG2 3.83Å; P131-V135 WeakPolarHBondContact O-CG2 3.22Å; P131-V135 PolarHBondContact O-N 3.47Å; R132-V135 PolarHBondContact O-N 3.33Å; V135-C137 VanDerWaalsContact C-N 3.27Å; V135-C137 PolarHBondContact O-N 2.81Å; V135-L138 PolarHBondContact O-N 3.31Å; V135-V139 HydrophobicContact CG1-CG2 4.49Å; V135-V139 WeakPolarHBondContact O-CG2 3.48Å; V135-V139 PolarHBondContact O-N 3.19Å
136T98.2Very high96.3Very high82 Ų8270.9 Ų70.950%0.50338%0.376SS..Hα-helixtrans-57.9-41.8176.4-55.40000111.7R132 K133 V139 I140R132-T136 PolarHBondContact O-N 2.95Å; R132-T136 PolarHBondContact O-OG1 3.39Å; R132-T136 VanDerWaalsContact O-OG1 3.14Å; K133-T136 PolarHBondContact O-N 2.79Å; T136-V139 PolarHBondContact O-N 3.01Å; T136-I140 HydrophobicContact CG2-CD1 3.93Å; T136-I140 VanDerWaalsContact O-CG1 3.3Å; T136-I140 WeakPolarHBondContact O-CG1 3.28Å; T136-I140 PolarHBondContact O-N 3.47Å
137C98.4Very high96.9Very high36 Ų3666.4 Ų66.424%0.24337%0.373CS..Hα-helixtrans-59.9-46.1176179.30000111.9S110 K133 S134 V135 I140 I141S110-C137 PolarHBondContact OG-SG 3.37Å; S110-C137 VanDerWaalsContact OG-SG 3.35Å; K133-C137 WeakPolarHBondContact O-CB 3.48Å; K133-C137 PolarHBondContact O-N 3.35Å; S134-C137 WeakPolarHBondContact O-CB 3.35Å; S134-C137 PolarHBondContact O-N 3.29Å; V135-C137 VanDerWaalsContact C-N 3.27Å; V135-C137 PolarHBondContact O-N 2.81Å; C137-I140 PolarHBondContact O-N 3.08Å; C137-I141 VanDerWaalsContact O-CG1 3.29Å; C137-I141 WeakPolarHBondContact O-CG1 3.27Å; C137-I141 PolarHBondContact O-N 3.02Å
138L98.6Very high97.2Very high26 Ų2664.4 Ų64.414%0.13635%0.353CS..Hα-helixtrans-62.4-44.2176.9-70.3175.3000111.9I48 L49 T107 S134 V135 I140 I141 T142I48-L138 HydrophobicContact CG2-CD1 3.69Å; L49-L138 HydrophobicContact CD2-CD2 4.04Å; L49-L138 HydrophobicContact CD2-CG 4.08Å; T107-L138 HydrophobicContact CG2-CD2 3.59Å; S134-L138 WeakPolarHBondContact O-CG 3.3Å; S134-L138 PolarHBondContact O-N 2.87Å; V135-L138 PolarHBondContact O-N 3.31Å; L138-I140 VanDerWaalsContact C-N 3.33Å; L138-I140 PolarHBondContact O-N 2.92Å; L138-I141 PolarHBondContact O-N 2.99Å; L138-T142 WeakPolarHBondContact O-CB 3.49Å; L138-T142 PolarHBondContact O-N 3.34Å; L138-T142 PolarHBondContact O-OG1 2.93Å
139V98.7Very high97.5Very high86 Ų8661.1 Ų61.152%0.52134%0.336SS..Hα-helixtrans-59.4-45.3176.9172.60000110.9V135 T136 T142 V143V135-V139 HydrophobicContact CG1-CG2 4.49Å; V135-V139 WeakPolarHBondContact O-CG2 3.48Å; V135-V139 PolarHBondContact O-N 3.19Å; T136-V139 PolarHBondContact O-N 3.01Å; V139-T142 PolarHBondContact O-N 2.91Å; V139-V143 HydrophobicContact CG1-CG2 4.38Å; V139-V143 WeakPolarHBondContact O-CB 3.47Å; V139-V143 VanDerWaalsContact O-CG2 3.27Å; V139-V143 WeakPolarHBondContact O-CG2 3.2Å; V139-V143 PolarHBondContact O-N 3.46Å
140I98.7Very high97.7Very high88 Ų8865.3 Ų65.345%0.45135%0.352SS..Hα-helixtrans-61.1-47.5176.9-69.2167.2000110.8T136 C137 L138 T142 V143 L144T136-I140 HydrophobicContact CG2-CD1 3.93Å; T136-I140 VanDerWaalsContact O-CG1 3.3Å; T136-I140 WeakPolarHBondContact O-CG1 3.28Å; T136-I140 PolarHBondContact O-N 3.47Å; C137-I140 PolarHBondContact O-N 3.08Å; L138-I140 VanDerWaalsContact C-N 3.33Å; L138-I140 PolarHBondContact O-N 2.92Å; I140-T142 PolarHBondContact O-N 2.92Å; I140-V143 PolarHBondContact O-N 3.39Å; I140-L144 HydrophobicContact CG2-CD1 3.73Å; I140-L144 HydrophobicContact CG2-CG 4.28Å; I140-L144 WeakPolarHBondContact O-CB 3.29Å; I140-L144 VanDerWaalsContact O-CG 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.43Å; I140-L144 PolarHBondContact O-N 3.48Å
141I98.8Very high97.8Very high16 Ų1665.6 Ų65.68%0.08235%0.354CS..Hα-helixtrans-57.9-51.3178.1-71.8164.8000110.1A103 W106 C137 L138 V143 L144 S145A103-I141 HydrophobicContact CB-CG2 4.27Å; W106-I141 HydrophobicContact CB-CD1 4.45Å; W106-I141 HydrophobicContact CB-CG1 4.23Å; W106-I141 HydrophobicContact CB-CG2 3.83Å; C137-I141 VanDerWaalsContact O-CG1 3.29Å; C137-I141 WeakPolarHBondContact O-CG1 3.27Å; C137-I141 PolarHBondContact O-N 3.02Å; L138-I141 PolarHBondContact O-N 2.99Å; I141-V143 PolarHBondContact O-N 2.9Å; I141-L144 PolarHBondContact O-N 2.89Å; I141-S145 WeakPolarHBondContact O-CB 3.32Å; I141-S145 PolarHBondContact O-N 3.43Å; I141-S145 PolarHBondContact O-OG 3.18Å
142T98.7Very high97.9Very high75 Ų7563.2 Ų63.246%0.4634%0.338SS..Hα-helixtrans-59.4-46.9-179.7-57.60000111.7L138 V139 I140 L144 S145 V146L138-T142 WeakPolarHBondContact O-CB 3.49Å; L138-T142 PolarHBondContact O-N 3.34Å; L138-T142 PolarHBondContact O-OG1 2.93Å; V139-T142 PolarHBondContact O-N 2.91Å; I140-T142 PolarHBondContact O-N 2.92Å; T142-L144 PolarHBondContact O-N 3.28Å; T142-S145 PolarHBondContact O-N 3.24Å; T142-V146 HydrophobicContact CG2-CG2 4.47Å; T142-V146 WeakPolarHBondContact O-CB 3.41Å; T142-V146 VanDerWaalsContact O-CG2 3.28Å; T142-V146 WeakPolarHBondContact O-CG2 3.2Å; T142-V146 PolarHBondContact O-N 2.93Å
143V98.7Very high97.9Very high88 Ų8856.5 Ų56.553%0.53332%0.315SS..Hα-helixtrans-61.3-45.7179.2169.30000111.2V139 I140 I141 V146 A147V139-V143 HydrophobicContact CG1-CG2 4.38Å; V139-V143 WeakPolarHBondContact O-CB 3.47Å; V139-V143 VanDerWaalsContact O-CG2 3.27Å; V139-V143 WeakPolarHBondContact O-CG2 3.2Å; V139-V143 PolarHBondContact O-N 3.46Å; I140-V143 PolarHBondContact O-N 3.39Å; I141-V143 PolarHBondContact O-N 2.9Å; V143-V146 PolarHBondContact O-N 2.88Å; V143-A147 VanDerWaalsContact O-CB 3.27Å; V143-A147 WeakPolarHBondContact O-CB 3.24Å; V143-A147 PolarHBondContact O-N 2.88Å
144L98.6Very high97.9Very high111 Ų11157.5 Ų57.558%0.58132%0.316SS*.Hα-helixtrans-67.8-40.2179.2-68.9177.3000112.2I140 I141 T142 V146 A147 Y148I140-L144 HydrophobicContact CG2-CD1 3.73Å; I140-L144 HydrophobicContact CG2-CG 4.28Å; I140-L144 WeakPolarHBondContact O-CB 3.29Å; I140-L144 VanDerWaalsContact O-CG 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.43Å; I140-L144 PolarHBondContact O-N 3.48Å; I141-L144 PolarHBondContact O-N 2.89Å; T142-L144 PolarHBondContact O-N 3.28Å; L144-V146 VanDerWaalsContact C-N 3.35Å; L144-A147 PolarHBondContact O-N 3.45Å; L144-Y148 WeakPolarHBondContact O-CB 3.48Å; L144-Y148 PolarHBondContact O-N 3.22Å
145S98.7Very high97.8Very high3 Ų357.2 Ų57.22%0.02131%0.314CS..Hα-helixtrans-64.8-38.4177-64.40000112.3C102 A103 I141 T142 N149C102-S145 PolarHBondContact SG-OG 2.57Å; C102-S145 VanDerWaalsContact SG-OG 3.34Å; A103-S145 WeakPolarHBondContact CA-OG 3.25Å; A103-S145 PolarHBondContact N-OG 3.49Å; I141-S145 WeakPolarHBondContact O-CB 3.32Å; I141-S145 PolarHBondContact O-N 3.43Å; I141-S145 PolarHBondContact O-OG 3.18Å; T142-S145 PolarHBondContact O-N 3.24Å; S145-N149 WeakPolarHBondContact O-CB 3.33Å; S145-N149 PolarHBondContact O-N 3.46Å; S145-N149 PolarHBondContact O-ND2 3.39Å
146V98.5Very high97.7Very high58 Ų5856.4 Ų56.435%0.35230%0.303SS..Hα-helixtrans-67.2-51.5173171.20000110.3M99 T142 V143 L144 Y148 N149 F150M99-V146 HydrophobicContact CE-CG1 4.47Å; M99-V146 HydrophobicContact SD-CB 4.4Å; M99-V146 HydrophobicContact SD-CG1 4.24Å; M99-V146 HydrophobicContact SD-CG2 4.13Å; T142-V146 HydrophobicContact CG2-CG2 4.47Å; T142-V146 WeakPolarHBondContact O-CB 3.41Å; T142-V146 VanDerWaalsContact O-CG2 3.28Å; T142-V146 WeakPolarHBondContact O-CG2 3.2Å; T142-V146 PolarHBondContact O-N 2.93Å; V143-V146 PolarHBondContact O-N 2.88Å; L144-V146 VanDerWaalsContact C-N 3.35Å; V146-Y148 PolarHBondContact O-N 3.31Å; V146-N149 CarbonylContact O-C 3.14Å; V146-N149 PolarHBondContact O-N 2.89Å; V146-F150 HydrophobicContact CG1-CD2 4.41Å; V146-F150 WeakPolarHBondContact O-CA 3.42Å; V146-F150 WeakPolarHBondContact O-CB 3.31Å; V146-F150 PolarHBondContact O-N 3.33Å
147A98.4Very high97.5Very high65 Ų6557.3 Ų57.354%0.53730%0.3SS..Hα-helixtrans-59.5-44.9-178.500000112.3V143 L144 N149 F150V143-A147 VanDerWaalsContact O-CB 3.27Å; V143-A147 WeakPolarHBondContact O-CB 3.24Å; V143-A147 PolarHBondContact O-N 2.88Å; L144-A147 PolarHBondContact O-N 3.45Å; A147-N149 PolarHBondContact O-N 2.62Å; A147-F150 PolarHBondContact O-N 3.44Å
148Y97.9Very high97.3Very high41 Ų4158.1 Ų58.116%0.16130%0.302CS..Hα-helixtrans-61.5-43.9178.5169.9-113.4000112.3L144 V146 F178 M182 Y183 T186L144-Y148 WeakPolarHBondContact O-CB 3.48Å; L144-Y148 PolarHBondContact O-N 3.22Å; V146-Y148 PolarHBondContact O-N 3.31Å; Y148-F178 HydrophobicContact CD2-CE2 4.08Å; Y148-F178 HydrophobicContact CE2-CD2 4.31Å; Y148-F178 AromaticContact CE2-CE2 3.55Å; Y148-F178 HydrophobicContact CE2-CE2 3.55Å; Y148-F178 HydrophobicContact CE2-CZ 4.07Å; Y148-F178 WeakPolarHBondContact O-CZ 3.26Å; Y148-M182 HydrophobicContact CE2-CB 4.1Å; Y148-M182 HydrophobicContact CE2-CE 4.07Å; Y148-M182 HydrophobicContact CE2-SD 4.45Å; Y148-Y183 PolarHBondContact OH-N 3.19Å; Y148-T186 HydrophobicContact CE1-CG2 4.38Å; Y148-T186 WeakPolarHBondContact CE1-OG1 3.37Å; Y148-T186 HydrophobicContact CE2-CG2 4.12Å; Y148-T186 PolarHBondContact OH-OG1 3.23Å
149N98Very high97Very high4 Ų459 Ų592%0.02131%0.307CS..Hα-helixtrans-91.71.2-177.3-70.9-73.7000113.7M98 M99 S145 V146 A147 C151 R152M98-N149 PolarHBondContact O-ND2 2.99Å; M99-N149 HydrophobicContact CE-CB 4.18Å; M99-N149 HydrophobicContact CG-CB 3.54Å; S145-N149 WeakPolarHBondContact O-CB 3.33Å; S145-N149 PolarHBondContact O-N 3.46Å; S145-N149 PolarHBondContact O-ND2 3.39Å; V146-N149 CarbonylContact O-C 3.14Å; V146-N149 PolarHBondContact O-N 2.89Å; A147-N149 PolarHBondContact O-N 2.62Å; N149-C151 VanDerWaalsContact C-N 3.26Å; N149-C151 PolarHBondContact O-N 3.29Å; N149-R152 HydrophobicContact CB-CG 4.39Å; N149-R152 WeakPolarHBondContact O-CB 3.33Å; N149-R152 WeakPolarHBondContact O-CG 3.14Å; N149-R152 PolarHBondContact O-N 2.86Å; N149-R152 WeakPolarHBondContact OD1-CD 3.16Å; N149-R152 PolarHBondContact OD1-NE 3.41Å
150F97.5Very high96.8Very high106 Ų10661.2 Ų61.247%0.46533%0.326SS..G310 helixtrans-61.3-36.6-173.7-164-101.9000112.4M99 V146 A147 R152 F153 W154M99-F150 HydrophobicContact CE-CD2 4.3Å; V146-F150 HydrophobicContact CG1-CD2 4.41Å; V146-F150 WeakPolarHBondContact O-CA 3.42Å; V146-F150 WeakPolarHBondContact O-CB 3.31Å; V146-F150 PolarHBondContact O-N 3.33Å; A147-F150 PolarHBondContact O-N 3.44Å; F150-R152 PolarHBondContact O-N 3.18Å; F150-R152 VanDerWaalsContact O-N 3.12Å; F150-F153 HydrophobicContact CD2-CD2 4.39Å; F150-F153 HydrophobicContact CD2-CE2 4.48Å; F150-F153 HydrophobicContact CE2-CD2 4.46Å; F150-F153 HydrophobicContact CE2-CE2 4.5Å; F150-F153 WeakPolarHBondContact O-CD2 3.3Å; F150-F153 PolarHBondContact O-N 3.47Å; F150-W154 HydrophobicContact CD1-CH2 4.43Å; F150-W154 AromaticContact CD1-CZ3 3.86Å; F150-W154 HydrophobicContact CD1-CZ3 3.86Å; F150-W154 AromaticContact CE1-CH2 3.82Å; F150-W154 HydrophobicContact CE1-CH2 3.82Å; F150-W154 AromaticContact CE1-CZ3 3.7Å; F150-W154 HydrophobicContact CE1-CZ3 3.7Å
151C96.1Very high96.4Very high40 Ų4066 Ų6627%0.2734%0.339SS..G310 helixtrans-63-18176.966.30000113.3N149 F153 W154 F178N149-C151 VanDerWaalsContact C-N 3.26Å; N149-C151 PolarHBondContact O-N 3.29Å; C151-F153 PolarHBondContact O-N 3.48Å; C151-W154 PolarHBondContact O-N 3.46Å; C151-F178 VanDerWaalsContact SG-CE1 3.58Å; C151-F178 WeakPolarHBondContact SG-CZ 3.31Å
152R96.1Very high96Very high3 Ų368.3 Ų68.31%0.01135%0.351CS..G310 helixtrans-63.4-22.4178.8-64.6-171.1171.3-72.9-13.7113.5Y94 P95 N149 F150 W154 E155 F178Y94-R152 HydrophobicContact CE1-CB 4.43Å; Y94-R152 PolarHBondContact OH-NH1 3.3Å; P95-R152 HydrophobicContact CB-CB 3.92Å; P95-R152 HydrophobicContact CG-CB 4.2Å; N149-R152 HydrophobicContact CB-CG 4.39Å; N149-R152 WeakPolarHBondContact O-CB 3.33Å; N149-R152 WeakPolarHBondContact O-CG 3.14Å; N149-R152 PolarHBondContact O-N 2.86Å; N149-R152 WeakPolarHBondContact OD1-CD 3.16Å; N149-R152 PolarHBondContact OD1-NE 3.41Å; F150-R152 PolarHBondContact O-N 3.18Å; F150-R152 VanDerWaalsContact O-N 3.12Å; R152-W154 PolarHBondContact O-N 3.38Å; R152-W154 VanDerWaalsContact O-N 3.12Å; R152-E155 IonicContact CZ-OE1 3.47Å; R152-E155 VanDerWaalsContact NH1-CD 3.32Å; R152-E155 IonicContact NH1-OE1 2.67Å; R152-E155 PolarHBondContact NH1-OE1 2.83Å; R152-E155 IonicContact NH1-OE2 3.25Å; R152-E155 PolarHBondContact NH1-OE2 2.95Å; R152-E155 WeakPolarHBondContact O-CB 3.46Å; R152-E155 PolarHBondContact O-N 2.99Å; R152-F178 HydrophobicContact CG-CE1 3.94Å; R152-F178 HydrophobicContact CG-CZ 4.42Å
153F96.4Very high95.5Very high74 Ų7467.2 Ų67.233%0.32534%0.342SS..G310 helixtrans-59.9-19171.1-79.2-70.1000113.5P95 I96 M99 F150 C151P95-F153 HydrophobicContact CB-CD1 3.92Å; P95-F153 HydrophobicContact CB-CD2 4.03Å; P95-F153 HydrophobicContact CB-CE1 3.88Å; P95-F153 HydrophobicContact CB-CE2 4.02Å; P95-F153 HydrophobicContact CB-CG 3.98Å; P95-F153 HydrophobicContact CB-CZ 3.93Å; P95-F153 HydrophobicContact CG-CD1 3.67Å; P95-F153 HydrophobicContact CG-CE1 3.94Å; P95-F153 HydrophobicContact CG-CG 4Å; P95-F153 HydrophobicContact CG-CZ 4.49Å; I96-F153 HydrophobicContact CG1-CZ 4.12Å; M99-F153 HydrophobicContact CE-CD2 4.09Å; M99-F153 HydrophobicContact CE-CE2 3.55Å; M99-F153 HydrophobicContact CE-CZ 4.45Å; M99-F153 HydrophobicContact SD-CE2 4.47Å; F150-F153 HydrophobicContact CD2-CD2 4.39Å; F150-F153 HydrophobicContact CD2-CE2 4.48Å; F150-F153 HydrophobicContact CE2-CD2 4.46Å; F150-F153 HydrophobicContact CE2-CE2 4.5Å; F150-F153 WeakPolarHBondContact O-CD2 3.3Å; F150-F153 PolarHBondContact O-N 3.47Å; C151-F153 PolarHBondContact O-N 3.48Å
154W96.5Very high95.2Very high129 Ų12965.3 Ų65.349%0.48933%0.331SS..G310 helixtrans-106.310.5175.3-70.2-87.2000113.1F150 C151 R152 F167 L168F150-W154 HydrophobicContact CD1-CH2 4.43Å; F150-W154 AromaticContact CD1-CZ3 3.86Å; F150-W154 HydrophobicContact CD1-CZ3 3.86Å; F150-W154 AromaticContact CE1-CH2 3.82Å; F150-W154 HydrophobicContact CE1-CH2 3.82Å; F150-W154 AromaticContact CE1-CZ3 3.7Å; F150-W154 HydrophobicContact CE1-CZ3 3.7Å; C151-W154 PolarHBondContact O-N 3.46Å; R152-W154 PolarHBondContact O-N 3.38Å; R152-W154 VanDerWaalsContact O-N 3.12Å; W154-F167 HydrophobicContact CB-CD1 4.03Å; W154-F167 HydrophobicContact CB-CE1 4.38Å; W154-F167 AromaticContact CD1-CE1 3.98Å; W154-F167 WeakPolarHBondContact O-CB 3.24Å; W154-F167 VanDerWaalsContact O-CD1 3.29Å; W154-F167 WeakPolarHBondContact O-CD1 3.29Å; W154-L168 HydrophobicContact CB-CD1 3.52Å; W154-L168 HydrophobicContact CB-CG 3.85Å; W154-L168 VanDerWaalsContact O-CB 3.31Å; W154-L168 WeakPolarHBondContact O-CB 3.46Å; W154-L168 VanDerWaalsContact O-CG 3.27Å; W154-L168 WeakPolarHBondContact O-CG 3.42Å; W154-L168 PolarHBondContact O-N 3.06Å
155E95.1Very high94.9Very high0 Ų062.3 Ų62.30%032%0.317CS..THydrogen-bonded Turntrans-68.5-37.9173.7-82.8-174.6-173.600112.3Y94 R152 F167 Y174Y94-E155 WeakPolarHBondContact CE1-OE2 3.44Å; Y94-E155 PolarHBondContact OH-OE2 2.88Å; R152-E155 IonicContact CZ-OE1 3.47Å; R152-E155 VanDerWaalsContact NH1-CD 3.32Å; R152-E155 IonicContact NH1-OE1 2.67Å; R152-E155 PolarHBondContact NH1-OE1 2.83Å; R152-E155 IonicContact NH1-OE2 3.25Å; R152-E155 PolarHBondContact NH1-OE2 2.95Å; R152-E155 WeakPolarHBondContact O-CB 3.46Å; R152-E155 PolarHBondContact O-N 2.99Å; E155-F167 PolarHBondContact O-N 2.96Å; E155-Y174 HydrophobicContact CG-CE1 3.63Å; E155-Y174 VanDerWaalsContact CG-OH 3.26Å; E155-Y174 WeakPolarHBondContact CG-OH 3.46Å; E155-Y174 PolarHBondContact OE1-OH 3.41Å
156Y94.6Very high94.6Very high53 Ų5365.1 Ų65.121%0.20834%0.337CS..EExtended strand (participates in β ladder)trans-131153.1-177.9-56.4-74.6000111.1Y94 V164 V165 R169Y94-Y156 HydrophobicContact CD1-CD2 4.3Å; Y94-Y156 HydrophobicContact CD1-CE2 4.19Å; Y94-Y156 HydrophobicContact CE1-CD2 4.44Å; Y94-Y156 AromaticContact CE1-CE2 3.98Å; Y94-Y156 HydrophobicContact CE1-CE2 3.98Å; Y156-V164 HydrophobicContact CD1-CG1 3.92Å; Y156-V164 HydrophobicContact CG-CG1 4.02Å; Y156-V165 WeakPolarHBondContact CA-O 3.24Å; Y156-R169 WeakPolarHBondContact OH-CD 3.38Å
157K94.6Very high94.4Very high101 Ų10166.7 Ų66.744%0.43934%0.339SS..EExtended strand (participates in β ladder)trans-139.4163.3172.565.5-177.8177.1-179.50110.5V165 F167K157-V165 HydrophobicContact CD-CG2 4.3Å; K157-V165 HydrophobicContact CG-CG2 3.5Å; K157-V165 PolarHBondContact N-O 3.48Å; K157-V165 WeakPolarHBondContact O-CG2 3.32Å; K157-V165 PolarHBondContact O-N 2.98Å; K157-F167 HydrophobicContact CD-CB 4.12Å; K157-F167 HydrophobicContact CD-CD2 4.16Å; K157-F167 HydrophobicContact CD-CG 4.25Å; K157-F167 HydrophobicContact CG-CB 4.22Å
158L94.4Very high94.3Very high54 Ų5466.1 Ų66.128%0.28333%0.326SS..EExtended strand (participates in β ladder)trans-90131.6170.5-62.5177.7000109.8N87 Y88 V91 D163 V164N87-L158 HydrophobicContact CB-CD2 3.9Å; Y88-L158 HydrophobicContact CD2-CD1 4.06Å; V91-L158 HydrophobicContact CG2-CD2 3.99Å; V91-L158 HydrophobicContact CG2-CG 4.24Å; L158-D163 WeakPolarHBondContact CA-O 3.42Å; L158-V164 HydrophobicContact CD2-CG2 4.19Å
159N93.2Very high94Very high45 Ų4566.6 Ų66.624%0.24133%0.328CS..  trans-80.2-178.6170.973.58000111.1R161 N162 D163 V165N159-R161 PolarHBondContact O-N 3.46Å; N159-R161 VanDerWaalsContact OD1-CA 3.32Å; N159-R161 WeakPolarHBondContact OD1-CA 3.13Å; N159-R161 WeakPolarHBondContact OD1-CB 3.31Å; N159-R161 PolarHBondContact OD1-N 2.97Å; N159-N162 WeakPolarHBondContact O-CA 3.37Å; N159-N162 PolarHBondContact O-N 3.32Å; N159-N162 PolarHBondContact OD1-N 3.03Å; N159-N162 VanDerWaalsContact OD1-N 3.09Å; N159-D163 PolarHBondContact N-O 3.19Å; N159-D163 WeakPolarHBondContact ND2-CB 3.3Å; N159-D163 PolarHBondContact ND2-OD2 3.38Å; N159-D163 PolarHBondContact OD1-N 2.96Å; N159-V165 HydrophobicContact CB-CG1 4.12Å; N159-V165 HydrophobicContact CB-CG2 4.27Å
160S92.6Very high93.8Very high132 Ų13270.8 Ų70.892%0.92336%0.357SS*.THydrogen-bonded Turntrans-61.3-16.9178.6-44.70000114.8
161R90.1Very high93.6Very high189 Ų18969.7 Ų69.771%0.71336%0.356SS*.THydrogen-bonded Turntrans-94.82174.7-69.2-168.9-73.2-114.61.6113N159 D163N159-R161 PolarHBondContact O-N 3.46Å; N159-R161 VanDerWaalsContact OD1-CA 3.32Å; N159-R161 WeakPolarHBondContact OD1-CA 3.13Å; N159-R161 WeakPolarHBondContact OD1-CB 3.31Å; N159-R161 PolarHBondContact OD1-N 2.97Å; R161-D163 WeakPolarHBondContact CB-OD2 3.48Å; R161-D163 IonicContact NE-OD2 3.46Å; R161-D163 PolarHBondContact NE-OD2 3.34Å
162N90.3Very high93.4Very high64 Ų6475.6 Ų75.634%0.34238%0.38SS..  trans60.729-170.6-62.1-12.1000113.8K84 N87 N159K84-N162 HydrophobicContact CB-CB 4.44Å; K84-N162 HydrophobicContact CD-CB 4.49Å; K84-N162 HydrophobicContact CG-CB 3.93Å; N87-N162 WeakPolarHBondContact CB-O 3.4Å; N87-N162 PolarHBondContact ND2-O 2.78Å; N159-N162 WeakPolarHBondContact O-CA 3.37Å; N159-N162 PolarHBondContact O-N 3.32Å; N159-N162 PolarHBondContact OD1-N 3.03Å; N159-N162 VanDerWaalsContact OD1-N 3.09Å
163D89.8Confident93.3Very high51 Ų5181.3 Ų81.327%0.27341%0.41SS..  trans-83.2143.4168.2-46.5-46.8000109.5L158 N159 R161 V165L158-D163 WeakPolarHBondContact CA-O 3.42Å; N159-D163 PolarHBondContact N-O 3.19Å; N159-D163 WeakPolarHBondContact ND2-CB 3.3Å; N159-D163 PolarHBondContact ND2-OD2 3.38Å; N159-D163 PolarHBondContact OD1-N 2.96Å; R161-D163 WeakPolarHBondContact CB-OD2 3.48Å; R161-D163 IonicContact NE-OD2 3.46Å; R161-D163 PolarHBondContact NE-OD2 3.34Å; D163-V165 PolarHBondContact O-N 2.92Å
164V90.8Very high93.2Very high49 Ų4979.3 Ų79.330%0.29740%0.401SS..EExtended strand (participates in β ladder)trans-71.4121.4173-174.50000109.1N87 V91 Y156 L158N87-V164 HydrophobicContact CB-CG2 3.63Å; V91-V164 HydrophobicContact CG2-CG1 4.15Å; V91-V164 HydrophobicContact CG2-CG2 4.2Å; Y156-V164 HydrophobicContact CD1-CG1 3.92Å; Y156-V164 HydrophobicContact CG-CG1 4.02Å; L158-V164 HydrophobicContact CD2-CG2 4.19Å
165V93.2Very high93Very high47 Ų4774.1 Ų74.129%0.28538%0.383SS..EExtended strand (participates in β ladder)trans-125.7144.7175.4-60.50000110.6Y156 K157 N159 D163Y156-V165 WeakPolarHBondContact CA-O 3.24Å; K157-V165 HydrophobicContact CD-CG2 4.3Å; K157-V165 HydrophobicContact CG-CG2 3.5Å; K157-V165 PolarHBondContact N-O 3.48Å; K157-V165 WeakPolarHBondContact O-CG2 3.32Å; K157-V165 PolarHBondContact O-N 2.98Å; N159-V165 HydrophobicContact CB-CG1 4.12Å; N159-V165 HydrophobicContact CB-CG2 4.27Å; D163-V165 PolarHBondContact O-N 2.92Å
166S93.2Very high92.9Very high62 Ų6277.5 Ų77.543%0.43440%0.399SS..EExtended strand (participates in β ladder)trans-63139176.2-58.30000111.3
167F94.3Very high92.8Very high91 Ų9178.3 Ų78.340%0.39941%0.409SS..SBendtrans-119.1-85.1170.7-175.7-122.5000111W154 E155 K157 R169 S170W154-F167 HydrophobicContact CB-CD1 4.03Å; W154-F167 HydrophobicContact CB-CE1 4.38Å; W154-F167 AromaticContact CD1-CE1 3.98Å; W154-F167 WeakPolarHBondContact O-CB 3.24Å; W154-F167 VanDerWaalsContact O-CD1 3.29Å; W154-F167 WeakPolarHBondContact O-CD1 3.29Å; E155-F167 PolarHBondContact O-N 2.96Å; K157-F167 HydrophobicContact CD-CB 4.12Å; K157-F167 HydrophobicContact CD-CD2 4.16Å; K157-F167 HydrophobicContact CD-CG 4.25Å; K157-F167 HydrophobicContact CG-CB 4.22Å; F167-R169 PolarHBondContact O-N 2.74Å; F167-S170 WeakPolarHBondContact O-CB 3.49Å; F167-S170 PolarHBondContact O-N 3.09Å; F167-S170 VanDerWaalsContact O-N 3.1Å; F167-S170 PolarHBondContact O-OG 3.3Å
168L94.9Very high92.8Very high53 Ų5374.4 Ų74.428%0.27739%0.392SS..G310 helixtrans-62.8-30.6172.9-72.2176.8000112.2W154 S170 N171 Y174W154-L168 HydrophobicContact CB-CD1 3.52Å; W154-L168 HydrophobicContact CB-CG 3.85Å; W154-L168 VanDerWaalsContact O-CB 3.31Å; W154-L168 WeakPolarHBondContact O-CB 3.46Å; W154-L168 VanDerWaalsContact O-CG 3.27Å; W154-L168 WeakPolarHBondContact O-CG 3.42Å; W154-L168 PolarHBondContact O-N 3.06Å; L168-S170 PolarHBondContact O-N 2.88Å; L168-S170 VanDerWaalsContact O-N 3.16Å; L168-N171 WeakPolarHBondContact O-CB 3.25Å; L168-N171 PolarHBondContact O-N 3.41Å; L168-Y174 HydrophobicContact CB-CD1 4.07Å; L168-Y174 HydrophobicContact CB-CD2 4.29Å; L168-Y174 HydrophobicContact CB-CE1 4.03Å; L168-Y174 HydrophobicContact CB-CE2 4.23Å; L168-Y174 HydrophobicContact CB-CG 4.2Å; L168-Y174 HydrophobicContact CD1-CE2 3.97Å
169R92.6Very high92.7Very high52 Ų5272.1 Ų72.120%0.19638%0.381CS..G310 helixtrans-68-9.4177.2-152.2-179176.2104.60.9113.4Y156 F167 N171 V175 E251Y156-R169 WeakPolarHBondContact OH-CD 3.38Å; F167-R169 PolarHBondContact O-N 2.74Å; R169-N171 VanDerWaalsContact C-N 3.25Å; R169-V175 HydrophobicContact CB-CG2 4.46Å; R169-V175 HydrophobicContact CG-CG2 3.67Å; R169-V175 VanDerWaalsContact O-CG2 3.3Å; R169-V175 WeakPolarHBondContact O-CG2 3.42Å; R169-E251 IonicContact NH2-OE1 2.97Å; R169-E251 PolarHBondContact NH2-OE1 3.4Å; R169-E251 IonicContact NH2-OE2 3.66Å
170S93Very high92.6Very high91 Ų9170.5 Ų70.564%0.63637%0.372SS*.G310 helixtrans-78.2-11.4170.775.40000113F167 L168F167-S170 WeakPolarHBondContact O-CB 3.49Å; F167-S170 PolarHBondContact O-N 3.09Å; F167-S170 VanDerWaalsContact O-N 3.1Å; F167-S170 PolarHBondContact O-OG 3.3Å; L168-S170 PolarHBondContact O-N 2.88Å; L168-S170 VanDerWaalsContact O-N 3.16Å
171N94.2Very high92.7Very high83 Ų8371.5 Ų71.544%0.44436%0.355SS..  trans-91.3114.6176.1-177.6-43.5000109.6L168 R169 L173 Y174 V175L168-N171 WeakPolarHBondContact O-CB 3.25Å; L168-N171 PolarHBondContact O-N 3.41Å; R169-N171 VanDerWaalsContact C-N 3.25Å; N171-L173 VanDerWaalsContact C-N 3.29Å; N171-L173 PolarHBondContact O-N 3.4Å; N171-L173 WeakPolarHBondContact OD1-CA 3.49Å; N171-L173 VanDerWaalsContact OD1-CB 3.26Å; N171-L173 WeakPolarHBondContact OD1-CB 3.23Å; N171-L173 PolarHBondContact OD1-N 2.87Å; N171-Y174 WeakPolarHBondContact O-CB 3.25Å; N171-Y174 PolarHBondContact O-N 3.47Å; N171-Y174 VanDerWaalsContact O-N 3.11Å; N171-Y174 PolarHBondContact OD1-N 3.28Å; N171-Y174 VanDerWaalsContact OD1-N 3.16Å; N171-V175 PolarHBondContact O-N 2.82Å; N171-V175 VanDerWaalsContact O-N 3.08Å
172E91.4Very high92.9Very high165 Ų16566.3 Ų66.377%0.77134%0.34SS*.Hα-helixtrans-59.2-37-178.7-66.2-178.7178.800113.1Y174 V175 Q176E172-Y174 VanDerWaalsContact C-N 3.34Å; E172-Y174 PolarHBondContact O-N 2.86Å; E172-V175 PolarHBondContact O-N 3.21Å; E172-Q176 WeakPolarHBondContact O-CB 3.4Å; E172-Q176 WeakPolarHBondContact O-CG 3.44Å; E172-Q176 PolarHBondContact O-N 3.28Å
173L94Very high93.1Very high122 Ų12264 Ų6464%0.63933%0.327SS*.Hα-helixtrans-64.2-41.1176.8-178.169000111N171 V177N171-L173 VanDerWaalsContact C-N 3.29Å; N171-L173 PolarHBondContact O-N 3.4Å; N171-L173 WeakPolarHBondContact OD1-CA 3.49Å; N171-L173 VanDerWaalsContact OD1-CB 3.26Å; N171-L173 WeakPolarHBondContact OD1-CB 3.23Å; N171-L173 PolarHBondContact OD1-N 2.87Å; L173-V177 HydrophobicContact CD1-CG2 3.75Å; L173-V177 HydrophobicContact CG-CG2 4.29Å; L173-V177 VanDerWaalsContact O-CB 3.31Å; L173-V177 WeakPolarHBondContact O-CB 3.34Å; L173-V177 WeakPolarHBondContact O-CG2 3.28Å; L173-V177 PolarHBondContact O-N 2.88Å
174Y95.1Very high93.3Very high32 Ų3264 Ų6413%0.12532%0.324CS..Hα-helixtrans-62.1-46.4175.4178.3-90.9000111E155 L168 N171 E172 F178 V179E155-Y174 HydrophobicContact CG-CE1 3.63Å; E155-Y174 VanDerWaalsContact CG-OH 3.26Å; E155-Y174 WeakPolarHBondContact CG-OH 3.46Å; E155-Y174 PolarHBondContact OE1-OH 3.41Å; L168-Y174 HydrophobicContact CB-CD1 4.07Å; L168-Y174 HydrophobicContact CB-CD2 4.29Å; L168-Y174 HydrophobicContact CB-CE1 4.03Å; L168-Y174 HydrophobicContact CB-CE2 4.23Å; L168-Y174 HydrophobicContact CB-CG 4.2Å; L168-Y174 HydrophobicContact CD1-CE2 3.97Å; N171-Y174 WeakPolarHBondContact O-CB 3.25Å; N171-Y174 PolarHBondContact O-N 3.47Å; N171-Y174 VanDerWaalsContact O-N 3.11Å; N171-Y174 PolarHBondContact OD1-N 3.28Å; N171-Y174 VanDerWaalsContact OD1-N 3.16Å; E172-Y174 VanDerWaalsContact C-N 3.34Å; E172-Y174 PolarHBondContact O-N 2.86Å; Y174-F178 HydrophobicContact CD2-CB 4.11Å; Y174-F178 HydrophobicContact CE1-CD1 4.03Å; Y174-F178 HydrophobicContact CE2-CB 3.97Å; Y174-F178 AromaticContact CE2-CD1 3.82Å; Y174-F178 HydrophobicContact CE2-CD1 3.82Å; Y174-F178 AromaticContact CE2-CG 3.91Å; Y174-F178 HydrophobicContact CE2-CG 3.91Å; Y174-F178 HydrophobicContact CG-CB 4.48Å; Y174-F178 AromaticContact CZ-CD1 3.42Å; Y174-F178 VanDerWaalsContact CZ-CD1 3.42Å; Y174-F178 AromaticContact CZ-CG 3.99Å; Y174-F178 WeakPolarHBondContact O-CA 3.33Å; Y174-F178 VanDerWaalsContact O-CB 3.23Å; Y174-F178 WeakPolarHBondContact O-CB 3.49Å; Y174-F178 PolarHBondContact O-N 3.45Å; Y174-F178 WeakPolarHBondContact OH-CD1 3.38Å; Y174-F178 WeakPolarHBondContact OH-CE1 3.19Å; Y174-V179 HydrophobicContact CD1-CG2 4.18Å; Y174-V179 HydrophobicContact CE1-CG2 3.84Å; Y174-V179 PolarHBondContact O-N 3.39Å
175V92.3Very high93.5Very high20 Ų2066.4 Ų66.412%0.12133%0.331CS..Iπ-helixtrans-61.3-51.7178.8177.90000110.6R169 N171 E172 V179 H180R169-V175 HydrophobicContact CB-CG2 4.46Å; R169-V175 HydrophobicContact CG-CG2 3.67Å; R169-V175 VanDerWaalsContact O-CG2 3.3Å; R169-V175 WeakPolarHBondContact O-CG2 3.42Å; N171-V175 PolarHBondContact O-N 2.82Å; N171-V175 VanDerWaalsContact O-N 3.08Å; E172-V175 PolarHBondContact O-N 3.21Å; V175-V179 HydrophobicContact CG1-CB 4.45Å; V175-V179 WeakPolarHBondContact O-CA 3.21Å; V175-V179 VanDerWaalsContact O-CB 3.26Å; V175-V179 WeakPolarHBondContact O-CB 3.34Å; V175-V179 PolarHBondContact O-N 3.28Å; V175-V179 VanDerWaalsContact O-N 3.13Å; V175-H180 VanDerWaalsContact CG1-CE1 3.49Å; V175-H180 WeakPolarHBondContact CG1-CE1 3.35Å; V175-H180 PolarHBondContact O-N 2.98Å
176Q91.8Very high93.6Very high72 Ų7265.6 Ų65.634%0.33633%0.326SS..Iπ-helixtrans-62.6-51.5-178.8-70-65.3-8.900112.2E172 H180 W181E172-Q176 WeakPolarHBondContact O-CB 3.4Å; E172-Q176 WeakPolarHBondContact O-CG 3.44Å; E172-Q176 PolarHBondContact O-N 3.28Å; Q176-H180 WeakPolarHBondContact O-CB 3.25Å; Q176-H180 PolarHBondContact OE1-ND1 2.7Å; Q176-H180 VanDerWaalsContact OE1-ND1 3.14Å; Q176-W181 PolarHBondContact O-N 2.96Å
177V93.4Very high93.7Very high69 Ų6962.8 Ų62.842%0.41831%0.307SS..Iπ-helixtrans-74.7-53.9-175.1177.20000111.6L173 W181 M182L173-V177 HydrophobicContact CD1-CG2 3.75Å; L173-V177 HydrophobicContact CG-CG2 4.29Å; L173-V177 VanDerWaalsContact O-CB 3.31Å; L173-V177 WeakPolarHBondContact O-CB 3.34Å; L173-V177 WeakPolarHBondContact O-CG2 3.28Å; L173-V177 PolarHBondContact O-N 2.88Å; V177-W181 WeakPolarHBondContact O-CB 3.28Å; V177-W181 PolarHBondContact O-N 2.74Å; V177-M182 HydrophobicContact CG1-CG 4.45Å; V177-M182 WeakPolarHBondContact O-CG 3.44Å; V177-M182 PolarHBondContact O-N 2.9Å
178F94.6Very high93.7Very high19 Ų1959.3 Ų59.38%0.08329%0.291CS..Iπ-helixtrans-84.9-47.9-169.5-174.1-96.4000112.6Y148 C151 R152 Y174 M182 Y183Y148-F178 HydrophobicContact CD2-CE2 4.08Å; Y148-F178 HydrophobicContact CE2-CD2 4.31Å; Y148-F178 AromaticContact CE2-CE2 3.55Å; Y148-F178 HydrophobicContact CE2-CE2 3.55Å; Y148-F178 HydrophobicContact CE2-CZ 4.07Å; Y148-F178 WeakPolarHBondContact O-CZ 3.26Å; C151-F178 VanDerWaalsContact SG-CE1 3.58Å; C151-F178 WeakPolarHBondContact SG-CZ 3.31Å; R152-F178 HydrophobicContact CG-CE1 3.94Å; R152-F178 HydrophobicContact CG-CZ 4.42Å; Y174-F178 HydrophobicContact CD2-CB 4.11Å; Y174-F178 HydrophobicContact CE1-CD1 4.03Å; Y174-F178 HydrophobicContact CE2-CB 3.97Å; Y174-F178 AromaticContact CE2-CD1 3.82Å; Y174-F178 HydrophobicContact CE2-CD1 3.82Å; Y174-F178 AromaticContact CE2-CG 3.91Å; Y174-F178 HydrophobicContact CE2-CG 3.91Å; Y174-F178 HydrophobicContact CG-CB 4.48Å; Y174-F178 AromaticContact CZ-CD1 3.42Å; Y174-F178 VanDerWaalsContact CZ-CD1 3.42Å; Y174-F178 AromaticContact CZ-CG 3.99Å; Y174-F178 WeakPolarHBondContact O-CA 3.33Å; Y174-F178 VanDerWaalsContact O-CB 3.23Å; Y174-F178 WeakPolarHBondContact O-CB 3.49Å; Y174-F178 PolarHBondContact O-N 3.45Å; Y174-F178 WeakPolarHBondContact OH-CD1 3.38Å; Y174-F178 WeakPolarHBondContact OH-CE1 3.19Å; F178-M182 HydrophobicContact CD2-SD 3.65Å; F178-M182 HydrophobicContact CE2-SD 4.35Å; F178-Y183 PolarHBondContact O-N 3.47Å
179V92Very high93.7Very high7 Ų757.6 Ų57.64%0.04229%0.286CS..Iπ-helixtrans-75.7-38.7-175.3-179.30000111.6Y174 V175 Y183Y174-V179 HydrophobicContact CD1-CG2 4.18Å; Y174-V179 HydrophobicContact CE1-CG2 3.84Å; Y174-V179 PolarHBondContact O-N 3.39Å; V175-V179 HydrophobicContact CG1-CB 4.45Å; V175-V179 WeakPolarHBondContact O-CA 3.21Å; V175-V179 VanDerWaalsContact O-CB 3.26Å; V175-V179 WeakPolarHBondContact O-CB 3.34Å; V175-V179 PolarHBondContact O-N 3.28Å; V175-V179 VanDerWaalsContact O-N 3.13Å; V179-Y183 WeakPolarHBondContact O-CB 3.42Å
180H91.5Very high93.9Very high10 Ų1058.7 Ų58.75%0.04630%0.296CS..Iπ-helixtrans-91.9-67179.1-51.1144.2000112.5V175 Q176 F184 E251 A252V175-H180 VanDerWaalsContact CG1-CE1 3.49Å; V175-H180 WeakPolarHBondContact CG1-CE1 3.35Å; V175-H180 PolarHBondContact O-N 2.98Å; Q176-H180 WeakPolarHBondContact O-CB 3.25Å; Q176-H180 PolarHBondContact OE1-ND1 2.7Å; Q176-H180 VanDerWaalsContact OE1-ND1 3.14Å; H180-F184 WeakPolarHBondContact O-CB 3.29Å; H180-F184 PolarHBondContact O-N 2.96Å; H180-E251 IonicContact NE2-OE2 3.86Å; H180-A252 HydrophobicContact CB-CB 4.16Å; H180-A252 WeakPolarHBondContact ND1-CB 3.46Å
181W93.8Very high94.1Very high153 Ų15354.4 Ų54.458%0.5827%0.265SS*.Iπ-helixtrans-71.2-49.3-169.3-73.1109000113.9Q176 V177 Y183 F184 F185Q176-W181 PolarHBondContact O-N 2.96Å; V177-W181 WeakPolarHBondContact O-CB 3.28Å; V177-W181 PolarHBondContact O-N 2.74Å; W181-Y183 PolarHBondContact O-N 2.94Å; W181-F184 WeakPolarHBondContact O-CB 3.49Å; W181-F184 PolarHBondContact O-N 3.35Å; W181-F185 AromaticContact CE3-CE2 3.96Å; W181-F185 HydrophobicContact CE3-CE2 3.96Å; W181-F185 HydrophobicContact CE3-CZ 4.48Å; W181-F185 WeakPolarHBondContact O-CD2 3.34Å; W181-F185 PolarHBondContact O-N 3.42Å; W181-F185 VanDerWaalsContact O-N 3.08Å
182M95.2Very high94.2Very high80 Ų8051.9 Ų51.939%0.39425%0.252SS..Iπ-helixtrans-65.8-39.9179.3-67.7-17490.200111.4Y148 V177 F178 F184 F185 T186Y148-M182 HydrophobicContact CE2-CB 4.1Å; Y148-M182 HydrophobicContact CE2-CE 4.07Å; Y148-M182 HydrophobicContact CE2-SD 4.45Å; V177-M182 HydrophobicContact CG1-CG 4.45Å; V177-M182 WeakPolarHBondContact O-CG 3.44Å; V177-M182 PolarHBondContact O-N 2.9Å; F178-M182 HydrophobicContact CD2-SD 3.65Å; F178-M182 HydrophobicContact CE2-SD 4.35Å; M182-F184 VanDerWaalsContact C-N 3.34Å; M182-F184 PolarHBondContact O-N 2.88Å; M182-F185 PolarHBondContact O-N 3.47Å; M182-T186 WeakPolarHBondContact O-CB 3.32Å; M182-T186 VanDerWaalsContact O-CG2 3.28Å; M182-T186 WeakPolarHBondContact O-CG2 3.48Å; M182-T186 PolarHBondContact O-N 3.4Å; M182-T186 PolarHBondContact O-OG1 2.89Å
183Y93.8Very high94.4Very high15 Ų1550 Ų506%0.05925%0.247CC..Hα-helixtrans-58.8-46.6173.5-178.9-88.6000111.2M98 Y148 F178 V179 W181 F185 T186 V187 A244 N248M98-Y183 HydrophobicContact CE-CE2 4.37Å; Y148-Y183 PolarHBondContact OH-N 3.19Å; F178-Y183 PolarHBondContact O-N 3.47Å; V179-Y183 WeakPolarHBondContact O-CB 3.42Å; W181-Y183 PolarHBondContact O-N 2.94Å; Y183-F185 PolarHBondContact O-N 3.31Å; Y183-T186 PolarHBondContact O-N 3.1Å; Y183-V187 HydrophobicContact CD2-CB 4.26Å; Y183-V187 HydrophobicContact CD2-CG2 3.92Å; Y183-V187 HydrophobicContact CE1-CB 4.29Å; Y183-V187 HydrophobicContact CE1-CG1 4.32Å; Y183-V187 HydrophobicContact CE2-CB 4.03Å; Y183-V187 HydrophobicContact CE2-CG1 4.02Å; Y183-V187 HydrophobicContact CE2-CG2 3.87Å; Y183-V187 HydrophobicContact CG-CB 4.5Å; Y183-V187 HydrophobicContact CG-CG2 4.49Å; Y183-V187 WeakPolarHBondContact O-CB 3.46Å; Y183-V187 PolarHBondContact O-N 3.38Å; Y183-A244 HydrophobicContact CE1-CB 4.33Å; Y183-N248 WeakPolarHBondContact CD1-ND2 3.37Å; Y183-N248 WeakPolarHBondContact CE1-ND2 3.15Å
184F93.8Very high94.6Very high52 Ų5246 Ų4623%0.22823%0.227CC..Iπ-helixtrans-52.7-55.3176167.4-102.7000110.9H180 W181 M182 T186 F188 G189 F245H180-F184 WeakPolarHBondContact O-CB 3.29Å; H180-F184 PolarHBondContact O-N 2.96Å; W181-F184 WeakPolarHBondContact O-CB 3.49Å; W181-F184 PolarHBondContact O-N 3.35Å; M182-F184 VanDerWaalsContact C-N 3.34Å; M182-F184 PolarHBondContact O-N 2.88Å; F184-T186 PolarHBondContact O-N 3.33Å; F184-F188 AromaticContact CD2-CD1 3.78Å; F184-F188 HydrophobicContact CD2-CD1 3.78Å; F184-F188 AromaticContact CE2-CD1 3.64Å; F184-F188 HydrophobicContact CE2-CD1 3.64Å; F184-F188 HydrophobicContact CE2-CE1 4.17Å; F184-F188 CarbonylContact O-C 3.45Å; F184-F188 WeakPolarHBondContact O-CA 3.29Å; F184-F188 WeakPolarHBondContact O-CB 3.41Å; F184-F188 PolarHBondContact O-N 3.2Å; F184-G189 PolarHBondContact O-N 2.94Å; F184-F245 AromaticContact CD2-CD2 3.42Å; F184-F245 HydrophobicContact CD2-CD2 3.42Å; F184-F245 VanDerWaalsContact CD2-CD2 3.42Å; F184-F245 AromaticContact CD2-CE2 3.49Å; F184-F245 HydrophobicContact CD2-CE2 3.49Å; F184-F245 VanDerWaalsContact CD2-CE2 3.49Å; F184-F245 HydrophobicContact CD2-CG 4.45Å; F184-F245 AromaticContact CE2-CD2 3.73Å; F184-F245 HydrophobicContact CE2-CD2 3.73Å; F184-F245 AromaticContact CE2-CE2 3.46Å; F184-F245 HydrophobicContact CE2-CE2 3.46Å; F184-F245 VanDerWaalsContact CE2-CE2 3.46Å; F184-F245 HydrophobicContact CE2-CZ 4.18Å
185F95.5Very high94.7Very high99 Ų9944.5 Ų44.543%0.43422%0.221SC..Iπ-helixtrans-67.5-40.1-176.7-71.7-67000113.1W181 M182 Y183 I190 P191W181-F185 AromaticContact CE3-CE2 3.96Å; W181-F185 HydrophobicContact CE3-CE2 3.96Å; W181-F185 HydrophobicContact CE3-CZ 4.48Å; W181-F185 WeakPolarHBondContact O-CD2 3.34Å; W181-F185 PolarHBondContact O-N 3.42Å; W181-F185 VanDerWaalsContact O-N 3.08Å; M182-F185 PolarHBondContact O-N 3.47Å; Y183-F185 PolarHBondContact O-N 3.31Å; F185-I190 HydrophobicContact CB-CD1 4.19Å; F185-I190 HydrophobicContact CB-CG1 4.48Å; F185-I190 WeakPolarHBondContact O-CB 3.49Å; F185-I190 VanDerWaalsContact O-CG1 3.31Å; F185-I190 WeakPolarHBondContact O-CG1 3.13Å; F185-I190 PolarHBondContact O-N 3.5Å; F185-I190 VanDerWaalsContact O-N 3.09Å; F185-P191 WeakPolarHBondContact O-CD 3.43Å
186T95.6Very high94.9Very high30 Ų3045.8 Ų45.818%0.18423%0.234CC..Iπ-helixtrans-82.4-32-171.556.40000114.3W106 Y148 M182 Y183 F184 P191W106-T186 PolarHBondContact NE1-O 3.35Å; Y148-T186 HydrophobicContact CE1-CG2 4.38Å; Y148-T186 WeakPolarHBondContact CE1-OG1 3.37Å; Y148-T186 HydrophobicContact CE2-CG2 4.12Å; Y148-T186 PolarHBondContact OH-OG1 3.23Å; M182-T186 WeakPolarHBondContact O-CB 3.32Å; M182-T186 VanDerWaalsContact O-CG2 3.28Å; M182-T186 WeakPolarHBondContact O-CG2 3.48Å; M182-T186 PolarHBondContact O-N 3.4Å; M182-T186 PolarHBondContact O-OG1 2.89Å; Y183-T186 PolarHBondContact O-N 3.1Å; F184-T186 PolarHBondContact O-N 3.33Å; T186-P191 VanDerWaalsContact O-CG 3.23Å; T186-P191 WeakPolarHBondContact O-CG 3.42Å
187V94.8Very high95.1Very high4 Ų445.1 Ų45.12%0.02424%0.237CC..Iπ-helixtrans-108.8-30.3-174.1179.80000111.8H101 V105 Y183 F237H101-V187 WeakPolarHBondContact CE1-CG1 3.39Å; V105-V187 HydrophobicContact CG2-CG1 4.32Å; Y183-V187 HydrophobicContact CD2-CB 4.26Å; Y183-V187 HydrophobicContact CD2-CG2 3.92Å; Y183-V187 HydrophobicContact CE1-CB 4.29Å; Y183-V187 HydrophobicContact CE1-CG1 4.32Å; Y183-V187 HydrophobicContact CE2-CB 4.03Å; Y183-V187 HydrophobicContact CE2-CG1 4.02Å; Y183-V187 HydrophobicContact CE2-CG2 3.87Å; Y183-V187 HydrophobicContact CG-CB 4.5Å; Y183-V187 HydrophobicContact CG-CG2 4.49Å; Y183-V187 WeakPolarHBondContact O-CB 3.46Å; Y183-V187 PolarHBondContact O-N 3.38Å; V187-F237 WeakPolarHBondContact O-CZ 3.34Å
188F94.1Very high95.3Very high17 Ų1742.7 Ų42.78%0.07522%0.222CC..Iπ-helixtrans-113.9-70.6-176.7-175.7-113.8000113.6F184 P191 L192 F238 N241 F245F184-F188 AromaticContact CD2-CD1 3.78Å; F184-F188 HydrophobicContact CD2-CD1 3.78Å; F184-F188 AromaticContact CE2-CD1 3.64Å; F184-F188 HydrophobicContact CE2-CD1 3.64Å; F184-F188 HydrophobicContact CE2-CE1 4.17Å; F184-F188 CarbonylContact O-C 3.45Å; F184-F188 WeakPolarHBondContact O-CA 3.29Å; F184-F188 WeakPolarHBondContact O-CB 3.41Å; F184-F188 PolarHBondContact O-N 3.2Å; F188-P191 WeakPolarHBondContact O-CD 3.17Å; F188-L192 HydrophobicContact CD2-CD2 4.47Å; F188-L192 HydrophobicContact CE1-CD2 4.28Å; F188-L192 HydrophobicContact CE2-CD2 3.8Å; F188-L192 HydrophobicContact CZ-CD2 3.7Å; F188-L192 WeakPolarHBondContact O-CB 3.2Å; F188-L192 PolarHBondContact O-N 3.27Å; F188-F238 HydrophobicContact CE2-CD2 4.45Å; F188-F238 HydrophobicContact CZ-CE2 4.4Å; F188-N241 HydrophobicContact CD2-CB 3.73Å; F188-N241 HydrophobicContact CE2-CB 4.25Å; F188-F245 HydrophobicContact CD1-CB 3.67Å; F188-F245 HydrophobicContact CD1-CD1 4.31Å; F188-F245 AromaticContact CD1-CD2 3.96Å; F188-F245 HydrophobicContact CD1-CD2 3.96Å; F188-F245 AromaticContact CD1-CG 3.7Å; F188-F245 HydrophobicContact CD1-CG 3.7Å; F188-F245 HydrophobicContact CD2-CB 4.38Å; F188-F245 HydrophobicContact CE1-CB 3.68Å; F188-F245 AromaticContact CE1-CD1 3.63Å; F188-F245 HydrophobicContact CE1-CD1 3.63Å; F188-F245 HydrophobicContact CE1-CD2 4.08Å; F188-F245 HydrophobicContact CE1-CE1 4.29Å; F188-F245 AromaticContact CE1-CG 3.49Å; F188-F245 HydrophobicContact CE1-CG 3.49Å; F188-F245 VanDerWaalsContact CE1-CG 3.49Å; F188-F245 HydrophobicContact CE2-CB 4.37Å; F188-F245 HydrophobicContact CG-CB 4.02Å; F188-F245 HydrophobicContact CZ-CB 4.04Å; F188-F245 HydrophobicContact CZ-CD1 4.12Å; F188-F245 HydrophobicContact CZ-CG 4.18Å
189G94.5Very high95.4Very high17 Ų1742.1 Ų42.118%0.17522%0.22CC..Iπ-helixtrans-55.6-60.5-169.800000114.4F184 L193F184-G189 PolarHBondContact O-N 2.94Å; G189-L193 VanDerWaalsContact O-CB 3.25Å; G189-L193 WeakPolarHBondContact O-CB 3.26Å; G189-L193 PolarHBondContact O-N 2.74Å
190I97.2Very high95.6Very high76 Ų7645 Ų4539%0.3924%0.24SC..Hα-helixtrans-67.4-47.3-178.6-60.7170.6000111.4W106 F185 L192 L193 T194W106-I190 HydrophobicContact CH2-CG2 3.83Å; F185-I190 HydrophobicContact CB-CD1 4.19Å; F185-I190 HydrophobicContact CB-CG1 4.48Å; F185-I190 WeakPolarHBondContact O-CB 3.49Å; F185-I190 VanDerWaalsContact O-CG1 3.31Å; F185-I190 WeakPolarHBondContact O-CG1 3.13Å; F185-I190 PolarHBondContact O-N 3.5Å; F185-I190 VanDerWaalsContact O-N 3.09Å; I190-L192 PolarHBondContact O-N 2.95Å; I190-L193 PolarHBondContact O-N 3.48Å; I190-T194 WeakPolarHBondContact O-CB 3.43Å; I190-T194 PolarHBondContact O-N 2.87Å; I190-T194 PolarHBondContact O-OG1 2.87Å
191P97.7Very high95.8Very high0 Ų047.1 Ų47.10%026%0.255CS..Hα-helixtrans-58.1-47.3176.5-28.537.6000113.1V105 W106 V109 F185 T186 F188 T194 L195 F237V105-P191 HydrophobicContact CG1-CB 3.43Å; V105-P191 VanDerWaalsContact CG1-CB 3.43Å; V105-P191 HydrophobicContact CG1-CG 3.5Å; V105-P191 VanDerWaalsContact CG1-CG 3.5Å; W106-P191 HydrophobicContact CZ2-CG 4.37Å; V109-P191 HydrophobicContact CG2-CB 3.9Å; F185-P191 WeakPolarHBondContact O-CD 3.43Å; T186-P191 VanDerWaalsContact O-CG 3.23Å; T186-P191 WeakPolarHBondContact O-CG 3.42Å; F188-P191 WeakPolarHBondContact O-CD 3.17Å; P191-T194 PolarHBondContact O-N 3.44Å; P191-L195 WeakPolarHBondContact O-CB 3.46Å; P191-L195 WeakPolarHBondContact O-CG 3.49Å; P191-L195 PolarHBondContact O-N 2.87Å; P191-F237 HydrophobicContact CB-CE1 4.29Å; P191-F237 HydrophobicContact CB-CZ 3.86Å
192L95.9Very high95.8Very high31 Ų3140 Ų4016%0.16223%0.228CC..Hα-helixtrans-62.2-47.9179.8-179.863.4000111.7F188 I190 T194 L195 A196 F237 F238F188-L192 HydrophobicContact CD2-CD2 4.47Å; F188-L192 HydrophobicContact CE1-CD2 4.28Å; F188-L192 HydrophobicContact CE2-CD2 3.8Å; F188-L192 HydrophobicContact CZ-CD2 3.7Å; F188-L192 WeakPolarHBondContact O-CB 3.2Å; F188-L192 PolarHBondContact O-N 3.27Å; I190-L192 PolarHBondContact O-N 2.95Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 3.39Å; L192-L195 PolarHBondContact O-N 3.27Å; L192-A196 VanDerWaalsContact O-CB 3.24Å; L192-A196 WeakPolarHBondContact O-CB 3.42Å; L192-A196 PolarHBondContact O-N 3.17Å; L192-F237 HydrophobicContact CB-CE1 4.07Å; L192-F237 HydrophobicContact CD1-CD1 4.3Å; L192-F237 HydrophobicContact CD1-CE1 4.31Å; L192-F238 HydrophobicContact CD1-CB 3.95Å; L192-F238 HydrophobicContact CD1-CD2 3.57Å; L192-F238 HydrophobicContact CD1-CG 4.18Å; L192-F238 HydrophobicContact CD2-CD2 3.55Å; L192-F238 HydrophobicContact CD2-CE2 3.79Å; L192-F238 HydrophobicContact CG-CD2 4.21Å
193L96.6Very high95.8Very high126 Ų12638 Ų3866%0.6622%0.22SC*.Hα-helixtrans-59.9-42.7178.4-178.962.5000111.2G189 I190 S197G189-L193 VanDerWaalsContact O-CB 3.25Å; G189-L193 WeakPolarHBondContact O-CB 3.26Å; G189-L193 PolarHBondContact O-N 2.74Å; I190-L193 PolarHBondContact O-N 3.48Å; L193-S197 VanDerWaalsContact O-CB 3.29Å; L193-S197 WeakPolarHBondContact O-CB 3.39Å; L193-S197 PolarHBondContact O-N 3.36Å; L193-S197 PolarHBondContact O-OG 2.84Å
194T97.9Very high95.9Very high38 Ų3841.8 Ų41.823%0.23324%0.242CC..Hα-helixtrans-63.9-49.3176.9-53.60000110.9V109 V113 I190 P191 L192 A196 S197 V198V109-T194 HydrophobicContact CG1-CG2 3.69Å; V113-T194 HydrophobicContact CG2-CG2 4.41Å; I190-T194 WeakPolarHBondContact O-CB 3.43Å; I190-T194 PolarHBondContact O-N 2.87Å; I190-T194 PolarHBondContact O-OG1 2.87Å; P191-T194 PolarHBondContact O-N 3.44Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 3.39Å; T194-A196 PolarHBondContact O-N 2.94Å; T194-S197 PolarHBondContact O-N 3.45Å; T194-S197 PolarHBondContact O-OG 3.11Å; T194-V198 HydrophobicContact CG2-CG2 4.13Å; T194-V198 WeakPolarHBondContact O-CB 3.45Å; T194-V198 WeakPolarHBondContact O-CG2 3.5Å; T194-V198 PolarHBondContact O-N 2.83Å
195L97.3Very high95.8Very high0 Ų041.8 Ų41.80%025%0.246CC..Hα-helixtrans-61.6-45.2-180-72.3168.9000112.1M108 V109 S112 P191 L192 N199 V234 F237M108-L195 HydrophobicContact CE-CD1 3.4Å; M108-L195 HydrophobicContact CG-CD2 4.44Å; V109-L195 HydrophobicContact CG2-CD1 4.44Å; V109-L195 HydrophobicContact CG2-CD2 4.28Å; V109-L195 HydrophobicContact CG2-CG 4.1Å; S112-L195 WeakPolarHBondContact OG-CD2 3.49Å; P191-L195 WeakPolarHBondContact O-CB 3.46Å; P191-L195 WeakPolarHBondContact O-CG 3.49Å; P191-L195 PolarHBondContact O-N 2.87Å; L192-L195 PolarHBondContact O-N 3.27Å; L195-N199 VanDerWaalsContact O-CB 3.26Å; L195-N199 WeakPolarHBondContact O-CB 3.04Å; L195-N199 PolarHBondContact O-N 3.5Å; L195-N199 PolarHBondContact O-ND2 3.45Å; L195-V234 HydrophobicContact CB-CG1 4.21Å; L195-V234 HydrophobicContact CB-CG2 3.91Å; L195-V234 HydrophobicContact CD2-CG2 4.39Å; L195-F237 HydrophobicContact CD1-CD1 3.47Å; L195-F237 VanDerWaalsContact CD1-CD1 3.47Å; L195-F237 HydrophobicContact CD1-CE1 3.68Å; L195-F237 HydrophobicContact CD1-CG 3.98Å; L195-F237 HydrophobicContact CD1-CZ 4.34Å
196A96.3Very high95.5Very high46 Ų4637.9 Ų37.938%0.3823%0.23SC..Hα-helixtrans-65.3-47.5179.900000111.7L192 T194 N199 C200L192-A196 VanDerWaalsContact O-CB 3.24Å; L192-A196 WeakPolarHBondContact O-CB 3.42Å; L192-A196 PolarHBondContact O-N 3.17Å; T194-A196 PolarHBondContact O-N 2.94Å; A196-N199 PolarHBondContact O-N 3.45Å; A196-C200 VanDerWaalsContact O-CB 3.23Å; A196-C200 WeakPolarHBondContact O-CB 3.44Å; A196-C200 PolarHBondContact O-N 3.4Å
197S96.8Very high95.3Very high59 Ų5941.7 Ų41.741%0.41324%0.244SC..Hα-helixtrans-63.2-47.9178.857.70000111.9L193 T194 N199 C200 C201L193-S197 VanDerWaalsContact O-CB 3.29Å; L193-S197 WeakPolarHBondContact O-CB 3.39Å; L193-S197 PolarHBondContact O-N 3.36Å; L193-S197 PolarHBondContact O-OG 2.84Å; T194-S197 PolarHBondContact O-N 3.45Å; T194-S197 PolarHBondContact O-OG 3.11Å; S197-N199 PolarHBondContact O-N 3.36Å; S197-C200 PolarHBondContact O-N 2.84Å; S197-C201 PolarHBondContact O-N 3.31Å; S197-C201 PolarHBondContact O-SG 2.74Å; S197-C201 VanDerWaalsContact O-SG 3.32Å
198V96.8Very high95.1Very high17 Ų1750.6 Ų50.610%0.10328%0.277CS..Hα-helixtrans-60.5-45.7178.4170.40000111.1S112 V113 Y116 T194 C201 I202S112-V198 VanDerWaalsContact O-CG1 3.28Å; S112-V198 WeakPolarHBondContact O-CG1 3.4Å; V113-V198 HydrophobicContact CG2-CG2 4.29Å; Y116-V198 VanDerWaalsContact CB-CG1 3.47Å; Y116-V198 HydrophobicContact CG-CG1 4.19Å; T194-V198 HydrophobicContact CG2-CG2 4.13Å; T194-V198 WeakPolarHBondContact O-CB 3.45Å; T194-V198 WeakPolarHBondContact O-CG2 3.5Å; T194-V198 PolarHBondContact O-N 2.83Å; V198-C201 PolarHBondContact O-N 3.34Å; V198-I202 HydrophobicContact CG1-CD1 4.14Å; V198-I202 VanDerWaalsContact O-CG1 3.31Å; V198-I202 WeakPolarHBondContact O-CG1 3.21Å; V198-I202 PolarHBondContact O-N 3.27Å
199N95.5Very high94.8Very high7 Ų751.8 Ų51.84%0.03729%0.29CS..Hα-helixtrans-70.4-36.4178.9-82.9-89.1000112.9L195 A196 S197 C201 I202 V203 M230 V234L195-N199 VanDerWaalsContact O-CB 3.26Å; L195-N199 WeakPolarHBondContact O-CB 3.04Å; L195-N199 PolarHBondContact O-N 3.5Å; L195-N199 PolarHBondContact O-ND2 3.45Å; A196-N199 PolarHBondContact O-N 3.45Å; S197-N199 PolarHBondContact O-N 3.36Å; N199-C201 VanDerWaalsContact C-N 3.32Å; N199-C201 PolarHBondContact O-N 3.01Å; N199-I202 PolarHBondContact O-N 2.95Å; N199-V203 WeakPolarHBondContact O-CB 3.26Å; N199-V203 VanDerWaalsContact O-CG2 3.22Å; N199-V203 WeakPolarHBondContact O-CG2 3.39Å; N199-V203 PolarHBondContact O-N 3.39Å; N199-M230 WeakPolarHBondContact OD1-CB 3.48Å; N199-V234 HydrophobicContact CB-CG2 4.28Å; N199-V234 WeakPolarHBondContact ND2-CG2 3.32Å
200C96.2Very high94.5Very high69 Ų6955.1 Ų55.147%0.46630%0.297SS..Hα-helixtrans-58-46.4172.5-173.90000110.8A196 S197 I202 V203 N204A196-C200 VanDerWaalsContact O-CB 3.23Å; A196-C200 WeakPolarHBondContact O-CB 3.44Å; A196-C200 PolarHBondContact O-N 3.4Å; S197-C200 PolarHBondContact O-N 2.84Å; C200-I202 PolarHBondContact O-N 3.48Å; C200-V203 PolarHBondContact O-N 3.4Å; C200-N204 WeakPolarHBondContact O-CB 2.97Å; C200-N204 PolarHBondContact O-N 2.82Å; C200-N204 PolarHBondContact O-ND2 3.47Å
201C96Very high94Very high54 Ų5462.7 Ų62.737%0.36532%0.321SS..Hα-helixtrans-63-42176.2-67.80000113.3Y116 S197 V198 N199 T205Y116-C201 HydrophobicContact CD2-CB 3.86Å; Y116-C201 HydrophobicContact CE2-CB 3.57Å; S197-C201 PolarHBondContact O-N 3.31Å; S197-C201 PolarHBondContact O-SG 2.74Å; S197-C201 VanDerWaalsContact O-SG 3.32Å; V198-C201 PolarHBondContact O-N 3.34Å; N199-C201 VanDerWaalsContact C-N 3.32Å; N199-C201 PolarHBondContact O-N 3.01Å; C201-T205 WeakPolarHBondContact O-CB 3.46Å; C201-T205 PolarHBondContact O-N 2.97Å; C201-T205 PolarHBondContact O-OG1 2.78Å
202I95.1Very high93.5Very high3 Ų369.2 Ų69.22%0.01536%0.356CS..Hα-helixtrans-58.2-50.3175-71.7167.3000110.1R115 Y116 V119 V198 N199 C200 T205 I206 A227R115-I202 HydrophobicContact CB-CD1 4Å; Y116-I202 HydrophobicContact CD2-CG1 4.27Å; V119-I202 HydrophobicContact CG1-CG2 4.39Å; V119-I202 HydrophobicContact CG2-CG2 4.42Å; V198-I202 HydrophobicContact CG1-CD1 4.14Å; V198-I202 VanDerWaalsContact O-CG1 3.31Å; V198-I202 WeakPolarHBondContact O-CG1 3.21Å; V198-I202 PolarHBondContact O-N 3.27Å; N199-I202 PolarHBondContact O-N 2.95Å; C200-I202 PolarHBondContact O-N 3.48Å; I202-T205 PolarHBondContact O-N 3.34Å; I202-I206 HydrophobicContact CG2-CD1 3.88Å; I202-I206 WeakPolarHBondContact O-CG1 3.08Å; I202-I206 PolarHBondContact O-N 3.12Å; I202-A227 HydrophobicContact CG2-CB 3.79Å
203V94.8Very high92.9Very high37 Ų3775 Ų7522%0.22438%0.375CS..Hα-helixtrans-61.8-48.8-177.9169.50000110.5N199 C200 T205 I206 F207 V231N199-V203 WeakPolarHBondContact O-CB 3.26Å; N199-V203 VanDerWaalsContact O-CG2 3.22Å; N199-V203 WeakPolarHBondContact O-CG2 3.39Å; N199-V203 PolarHBondContact O-N 3.39Å; C200-V203 PolarHBondContact O-N 3.4Å; V203-T205 VanDerWaalsContact C-N 3.33Å; V203-T205 PolarHBondContact O-N 2.97Å; V203-I206 PolarHBondContact O-N 3.04Å; V203-I206 VanDerWaalsContact O-N 3.17Å; V203-F207 HydrophobicContact CG1-CD2 3.44Å; V203-F207 VanDerWaalsContact CG1-CD2 3.44Å; V203-F207 HydrophobicContact CG1-CE2 3.33Å; V203-F207 VanDerWaalsContact O-CD2 3.23Å; V203-F207 WeakPolarHBondContact O-CD2 3.4Å; V203-F207 PolarHBondContact O-N 3.12Å; V203-V231 HydrophobicContact CG2-CG2 3.71Å
204N94.6Very high91.9Very high95 Ų9575.3 Ų75.351%0.50839%0.388SS..Hα-helixtrans-59.6-41.8177.7-71.9-19.1000112.4C200 I206 F207 R208C200-N204 WeakPolarHBondContact O-CB 2.97Å; C200-N204 PolarHBondContact O-N 2.82Å; C200-N204 PolarHBondContact O-ND2 3.47Å; N204-I206 VanDerWaalsContact C-N 3.33Å; N204-I206 PolarHBondContact O-N 2.94Å; N204-F207 PolarHBondContact O-N 3.31Å; N204-R208 WeakPolarHBondContact O-CB 3.19Å; N204-R208 PolarHBondContact O-N 3.41Å
205T92.1Very high91.2Very high52 Ų5278.9 Ų78.932%0.31941%0.409SS..Hα-helixtrans-62.7-42177.5-59.30000111.2V119 C120 C201 I202 V203 A209V119-T205 HydrophobicContact CG1-CG2 4.01Å; C120-T205 PolarHBondContact SG-OG1 2.91Å; C201-T205 WeakPolarHBondContact O-CB 3.46Å; C201-T205 PolarHBondContact O-N 2.97Å; C201-T205 PolarHBondContact O-OG1 2.78Å; I202-T205 PolarHBondContact O-N 3.34Å; V203-T205 VanDerWaalsContact C-N 3.33Å; V203-T205 PolarHBondContact O-N 2.97Å; T205-A209 WeakPolarHBondContact O-CB 3.43Å; T205-A209 PolarHBondContact O-N 3.26Å
206I90.8Very high90.4Very high17 Ų1781.6 Ų81.69%0.08742%0.423CS..Hα-helixtrans-68.7-42.8178.2-71.2168.5000111.2V119 I202 V203 N204 A209 R210 Q223 A227V119-I206 HydrophobicContact CG1-CD1 4.39Å; V119-I206 HydrophobicContact CG1-CG1 4.1Å; I202-I206 HydrophobicContact CG2-CD1 3.88Å; I202-I206 WeakPolarHBondContact O-CG1 3.08Å; I202-I206 PolarHBondContact O-N 3.12Å; V203-I206 PolarHBondContact O-N 3.04Å; V203-I206 VanDerWaalsContact O-N 3.17Å; N204-I206 VanDerWaalsContact C-N 3.33Å; N204-I206 PolarHBondContact O-N 2.94Å; I206-A209 PolarHBondContact O-N 3.49Å; I206-R210 WeakPolarHBondContact O-CG 3.26Å; I206-R210 PolarHBondContact O-N 3.38Å; I206-Q223 HydrophobicContact CD1-CB 4.43Å; I206-A227 HydrophobicContact CD1-CB 3.2Å
207F90.2Very high90Very high111 Ų11181.5 Ų81.549%0.48742%0.42SS..Hα-helixtrans-64.6-42.1176.9-82-65.3000112.3V203 N204 A209 R210 R211V203-F207 HydrophobicContact CG1-CD2 3.44Å; V203-F207 VanDerWaalsContact CG1-CD2 3.44Å; V203-F207 HydrophobicContact CG1-CE2 3.33Å; V203-F207 VanDerWaalsContact O-CD2 3.23Å; V203-F207 WeakPolarHBondContact O-CD2 3.4Å; V203-F207 PolarHBondContact O-N 3.12Å; N204-F207 PolarHBondContact O-N 3.31Å; F207-A209 VanDerWaalsContact C-N 3.35Å; F207-A209 PolarHBondContact O-N 3.04Å; F207-R210 WeakPolarHBondContact O-CB 3.44Å; F207-R210 PolarHBondContact O-N 3.5Å; F207-R210 VanDerWaalsContact O-N 3.16Å; F207-R211 PolarHBondContact O-N 2.91Å
208R91.2Very high89.5Confident190 Ų19088 Ų8872%0.71744%0.435SS*.Hα-helixtrans-59.7-44.9173.5-179.6178.7164.3-167.6-3.5111.7N204 R210 R211 L212N204-R208 WeakPolarHBondContact O-CB 3.19Å; N204-R208 PolarHBondContact O-N 3.41Å; R208-R210 PolarHBondContact O-N 3.48Å; R208-R211 PolarHBondContact O-N 2.96Å; R208-L212 PolarHBondContact O-N 3.38Å
209A87.9Confident89Confident43 Ų4389.8 Ų89.836%0.35545%0.448SS..Hα-helixtrans-65.4-26.7177.700000113.3T205 I206 F207 Q220T205-A209 WeakPolarHBondContact O-CB 3.43Å; T205-A209 PolarHBondContact O-N 3.26Å; I206-A209 PolarHBondContact O-N 3.49Å; F207-A209 VanDerWaalsContact C-N 3.35Å; F207-A209 PolarHBondContact O-N 3.04Å; A209-Q220 PolarHBondContact O-NE2 2.89Å
210R87.2Confident88.5Confident86 Ų8690.5 Ų90.533%0.32545%0.451SS..Hα-helixtrans-75.1-43.4172.8-72.7174.269-172.32111.8I206 F207 R208 L212 R213 M216I206-R210 WeakPolarHBondContact O-CG 3.26Å; I206-R210 PolarHBondContact O-N 3.38Å; F207-R210 WeakPolarHBondContact O-CB 3.44Å; F207-R210 PolarHBondContact O-N 3.5Å; F207-R210 VanDerWaalsContact O-N 3.16Å; R208-R210 PolarHBondContact O-N 3.48Å; R210-L212 PolarHBondContact O-N 3.35Å; R210-R213 CarbonylContact O-C 3.6Å; R210-R213 PolarHBondContact O-N 2.95Å; R210-M216 HydrophobicContact CG-CE 4.12Å
211R87.4Confident88.2Confident235 Ų23589.8 Ų89.889%0.88744%0.443SS*.Hα-helixtrans-59-31.8-179.9-170.5175.7179.4-176-0.1112.8F207 R208 R213F207-R211 PolarHBondContact O-N 2.91Å; R208-R211 PolarHBondContact O-N 2.96Å; R211-R213 VanDerWaalsContact C-N 3.3Å; R211-R213 PolarHBondContact O-N 3.46Å
212L86.5Confident87.8Confident138 Ų13890.2 Ų90.272%0.72344%0.437SS*.THydrogen-bonded Turntrans-76.8-8.5177.7-64.7173.6000114.3R208 R210R208-L212 PolarHBondContact O-N 3.38Å; R210-L212 PolarHBondContact O-N 3.35Å
213R82.8Confident87.6Confident153 Ų15392.9 Ų92.958%0.57745%0.449SS*.  trans-140.4116.7-175.7-65.7-176.5-176.8169.20111R210 R211 T215R210-R213 CarbonylContact O-C 3.6Å; R210-R213 PolarHBondContact O-N 2.95Å; R211-R213 VanDerWaalsContact C-N 3.3Å; R211-R213 PolarHBondContact O-N 3.46Å; R213-T215 VanDerWaalsContact C-N 3.29Å; R213-T215 PolarHBondContact O-N 2.61Å
214S76.2Confident87.4Confident132 Ų13294 Ų9492%0.92345%0.451SS*.SBendtrans-64.9-28.8-178.957.20000113.8
215T84.2Confident87.3Confident112 Ų11292.1 Ų92.169%0.68744%0.437SS*.SBendtrans-113.3131177.958.40000111.4R213 S217R213-T215 VanDerWaalsContact C-N 3.29Å; R213-T215 PolarHBondContact O-N 2.61Å; T215-S217 PolarHBondContact O-N 2.97Å
216M79.4Confident87.3Confident58 Ų5890.1 Ų90.129%0.28643%0.425SS..  trans-82.3116.6179-66.7-173.973.200110.7R210 Q220 L221 H224R210-M216 HydrophobicContact CG-CE 4.12Å; M216-Q220 HydrophobicContact CE-CB 4.35Å; M216-L221 HydrophobicContact CB-CD2 4.05Å; M216-L221 HydrophobicContact CB-CG 4Å; M216-L221 HydrophobicContact CE-CD2 3.83Å; M216-L221 HydrophobicContact CE-CG 4.38Å; M216-L221 HydrophobicContact SD-CD2 3.92Å; M216-H224 HydrophobicContact CE-CB 4.17Å
217S88.1Confident87.4Confident44 Ų4489.7 Ų89.731%0.30842%0.424SS..  trans-66.4159.9172.177.60000111.6T215 S219 Q220 L221T215-S217 PolarHBondContact O-N 2.97Å; S217-S219 PolarHBondContact O-N 3.15Å; S217-S219 VanDerWaalsContact O-N 3.14Å; S217-S219 PolarHBondContact OG-OG 3.45Å; S217-Q220 PolarHBondContact O-N 2.91Å; S217-Q220 PolarHBondContact OG-N 3.35Å; S217-Q220 PolarHBondContact OG-OE1 3.36Å; S217-L221 PolarHBondContact O-N 2.97Å
218R86.8Confident87.6Confident195 Ų19587 Ų8774%0.73642%0.416SS*.Hα-helixtrans-57-29.5175.8-66.1-65.2-170-173.83.4113R222R218-R222 PolarHBondContact O-N 3.4Å
219S85.7Confident87.8Confident55 Ų5577.9 Ų77.939%0.38538%0.382SS..Hα-helixtrans-74.1-39.3175.661.60000112.2S217 R222 Q223S217-S219 PolarHBondContact O-N 3.15Å; S217-S219 VanDerWaalsContact O-N 3.14Å; S217-S219 PolarHBondContact OG-OG 3.45Å; S219-R222 WeakPolarHBondContact O-CB 3.24Å; S219-R222 PolarHBondContact O-N 3.39Å; S219-Q223 WeakPolarHBondContact O-CG 3.32Å; S219-Q223 PolarHBondContact O-N 3.01Å
220Q85.7Confident88Confident21 Ų2176 Ų7610%0.09837%0.366CS..Hα-helixtrans-66.5-43.2175.3-71.9172-64.600111.7A209 M216 S217 R222 Q223 H224A209-Q220 PolarHBondContact O-NE2 2.89Å; M216-Q220 HydrophobicContact CE-CB 4.35Å; S217-Q220 PolarHBondContact O-N 2.91Å; S217-Q220 PolarHBondContact OG-N 3.35Å; S217-Q220 PolarHBondContact OG-OE1 3.36Å; Q220-R222 PolarHBondContact O-N 3.26Å; Q220-Q223 PolarHBondContact O-N 3.05Å; Q220-Q223 VanDerWaalsContact O-N 3.12Å; Q220-H224 WeakPolarHBondContact O-CB 3.2Å; Q220-H224 PolarHBondContact O-N 2.89Å
221L88.5Confident88.4Confident54 Ų5474.4 Ų74.428%0.28337%0.366SS..Hα-helixtrans-58.3-34.2173.3-72.4171.6000112.1M216 S217 R225M216-L221 HydrophobicContact CB-CD2 4.05Å; M216-L221 HydrophobicContact CB-CG 4Å; M216-L221 HydrophobicContact CE-CD2 3.83Å; M216-L221 HydrophobicContact CE-CG 4.38Å; M216-L221 HydrophobicContact SD-CD2 3.92Å; S217-L221 PolarHBondContact O-N 2.97Å; L221-R225 WeakPolarHBondContact O-CG 3.33Å; L221-R225 PolarHBondContact O-N 2.9Å; L221-R225 PolarHBondContact O-NH1 3Å
222R89.1Confident88.9Confident64 Ų6465.3 Ų65.324%0.24234%0.336CS..Hα-helixtrans-69.3-46.5174.4-178.3178.563.1-109.91.7111.5R218 S219 Q220 H224 R225 L226R218-R222 PolarHBondContact O-N 3.4Å; S219-R222 WeakPolarHBondContact O-CB 3.24Å; S219-R222 PolarHBondContact O-N 3.39Å; Q220-R222 PolarHBondContact O-N 3.26Å; R222-H224 VanDerWaalsContact C-N 3.32Å; R222-H224 PolarHBondContact O-N 2.99Å; R222-R225 PolarHBondContact O-N 3.22Å; R222-L226 HydrophobicContact CG-CD1 4.09Å; R222-L226 WeakPolarHBondContact O-CG 3.16Å; R222-L226 PolarHBondContact O-N 2.98Å; R222-L226 VanDerWaalsContact O-N 3.08Å
223Q89.7Confident89.3Confident58 Ų5859.1 Ų59.127%0.27130%0.303SS..Hα-helixtrans-62.2-40.6177.4-66.6-60.3-3.300112I206 S219 Q220 R225 L226 A227I206-Q223 HydrophobicContact CD1-CB 4.43Å; S219-Q223 WeakPolarHBondContact O-CG 3.32Å; S219-Q223 PolarHBondContact O-N 3.01Å; Q220-Q223 PolarHBondContact O-N 3.05Å; Q220-Q223 VanDerWaalsContact O-N 3.12Å; Q223-R225 PolarHBondContact O-N 3.42Å; Q223-L226 PolarHBondContact O-N 3.41Å; Q223-A227 WeakPolarHBondContact O-CB 3.37Å; Q223-A227 PolarHBondContact O-N 3.48Å
224H90.3Very high89.9Confident60 Ų6052.6 Ų52.628%0.27828%0.281SS..Hα-helixtrans-57.2-51.3174.5-179.1-80.8000112M216 Q220 R222 L226 A227 V228M216-H224 HydrophobicContact CE-CB 4.17Å; Q220-H224 WeakPolarHBondContact O-CB 3.2Å; Q220-H224 PolarHBondContact O-N 2.89Å; R222-H224 VanDerWaalsContact C-N 3.32Å; R222-H224 PolarHBondContact O-N 2.99Å; H224-L226 VanDerWaalsContact C-N 3.3Å; H224-L226 PolarHBondContact O-N 3.41Å; H224-A227 PolarHBondContact O-N 3.03Å; H224-V228 WeakPolarHBondContact O-CG2 3.34Å; H224-V228 PolarHBondContact O-N 3.49Å
225R92.9Very high90.8Very high57 Ų5751 Ų5122%0.21526%0.261CS..Hα-helixtrans-59.7-40.4178.1-74.8-170.5-60.8-89-4.3112.6L221 R222 Q223 M229L221-R225 WeakPolarHBondContact O-CG 3.33Å; L221-R225 PolarHBondContact O-N 2.9Å; L221-R225 PolarHBondContact O-NH1 3Å; R222-R225 PolarHBondContact O-N 3.22Å; Q223-R225 PolarHBondContact O-N 3.42Å; R225-M229 WeakPolarHBondContact O-CB 3.46Å; R225-M229 PolarHBondContact O-N 2.59Å
226L92.4Very high91.4Very high9 Ų947.1 Ų47.15%0.04724%0.237CC..Hα-helixtrans-68.9-34.3177.9-68.1170.4000112.3R222 Q223 H224 M229 M230 C292 F315R222-L226 HydrophobicContact CG-CD1 4.09Å; R222-L226 WeakPolarHBondContact O-CG 3.16Å; R222-L226 PolarHBondContact O-N 2.98Å; R222-L226 VanDerWaalsContact O-N 3.08Å; Q223-L226 PolarHBondContact O-N 3.41Å; H224-L226 VanDerWaalsContact C-N 3.3Å; H224-L226 PolarHBondContact O-N 3.41Å; L226-M229 HydrophobicContact CD2-CE 4.01Å; L226-M229 HydrophobicContact CD2-SD 4.28Å; L226-M229 WeakPolarHBondContact O-CB 3.39Å; L226-M229 PolarHBondContact O-N 3.23Å; L226-M230 VanDerWaalsContact O-CG 3.27Å; L226-M230 WeakPolarHBondContact O-CG 3.38Å; L226-M230 PolarHBondContact O-N 3.37Å; L226-M230 VanDerWaalsContact O-N 3.11Å; L226-C292 HydrophobicContact CD2-CB 4.43Å; L226-F315 HydrophobicContact CD1-CD1 4.47Å; L226-F315 HydrophobicContact CD1-CE1 3.93Å
227A93.2Very high92.2Very high9 Ų944.3 Ų44.37%0.07422%0.224CC..Hα-helixtrans-71-41.2174.900000112.3I202 I206 Q223 H224 M229 M230 V231I202-A227 HydrophobicContact CG2-CB 3.79Å; I206-A227 HydrophobicContact CD1-CB 3.2Å; Q223-A227 WeakPolarHBondContact O-CB 3.37Å; Q223-A227 PolarHBondContact O-N 3.48Å; H224-A227 PolarHBondContact O-N 3.03Å; A227-M229 VanDerWaalsContact C-N 3.29Å; A227-M229 PolarHBondContact O-N 3.07Å; A227-M230 PolarHBondContact O-N 2.94Å; A227-M230 VanDerWaalsContact O-N 3.14Å; A227-V231 WeakPolarHBondContact O-CG2 3.16Å; A227-V231 PolarHBondContact O-N 3.41Å
228V94.1Very high92.5Very high53 Ų5346.5 Ų46.532%0.32123%0.227SC..Hα-helixtrans-58.6-44.2172.2174.30000110.4H224 M230 V231 V232 F291H224-V228 WeakPolarHBondContact O-CG2 3.34Å; H224-V228 PolarHBondContact O-N 3.49Å; V228-M230 VanDerWaalsContact C-N 3.3Å; V228-M230 PolarHBondContact O-N 3.5Å; V228-V231 PolarHBondContact O-N 3.46Å; V228-V232 HydrophobicContact CG1-CG2 4.42Å; V228-V232 VanDerWaalsContact O-CG2 3.31Å; V228-V232 WeakPolarHBondContact O-CG2 3.18Å; V228-V232 PolarHBondContact O-N 3.32Å; V228-F291 HydrophobicContact CB-CE1 4.35Å; V228-F291 HydrophobicContact CG1-CD1 4.29Å; V228-F291 HydrophobicContact CG1-CE1 3.61Å; V228-F291 HydrophobicContact CG1-CZ 4Å
229M95.1Very high92.9Very high0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-54.3-45174.1-171-174.977.200112.4R225 L226 A227 V232 L233 I287 Y288 F291 C292R225-M229 WeakPolarHBondContact O-CB 3.46Å; R225-M229 PolarHBondContact O-N 2.59Å; L226-M229 HydrophobicContact CD2-CE 4.01Å; L226-M229 HydrophobicContact CD2-SD 4.28Å; L226-M229 WeakPolarHBondContact O-CB 3.39Å; L226-M229 PolarHBondContact O-N 3.23Å; A227-M229 VanDerWaalsContact C-N 3.29Å; A227-M229 PolarHBondContact O-N 3.07Å; M229-V232 PolarHBondContact O-N 2.79Å; M229-L233 WeakPolarHBondContact O-CG 3.41Å; M229-L233 PolarHBondContact O-N 3.16Å; M229-I287 HydrophobicContact CG-CG2 3.7Å; M229-Y288 HydrophobicContact CE-CD1 3.67Å; M229-Y288 HydrophobicContact CE-CE1 3.27Å; M229-Y288 HydrophobicContact SD-CD1 3.53Å; M229-Y288 VanDerWaalsContact SD-CD1 3.53Å; M229-Y288 HydrophobicContact SD-CE1 3.8Å; M229-Y288 HydrophobicContact SD-CG 4.06Å; M229-F291 HydrophobicContact CB-CB 3.58Å; M229-F291 HydrophobicContact CB-CD2 3.93Å; M229-F291 HydrophobicContact CB-CG 3.8Å; M229-F291 HydrophobicContact CG-CB 3.75Å; M229-F291 HydrophobicContact CG-CD2 3.95Å; M229-F291 HydrophobicContact CG-CG 4.14Å; M229-F291 HydrophobicContact SD-CB 3.94Å; M229-C292 HydrophobicContact SD-CB 4.28Å
230M93.6Very high93.4Very high3 Ų338.7 Ų38.72%0.01520%0.199CC..Hα-helixtrans-69-39.9179.8-66-71.4159.600112V111 R115 N199 L226 A227 V228 V232 L233 V234 Y288V111-M230 HydrophobicContact CG1-CE 4.01Å; V111-M230 HydrophobicContact CG1-SD 4.41Å; R115-M230 HydrophobicContact CG-CE 3.39Å; R115-M230 HydrophobicContact CG-CG 4.02Å; R115-M230 HydrophobicContact CG-SD 3.76Å; N199-M230 WeakPolarHBondContact OD1-CB 3.48Å; L226-M230 VanDerWaalsContact O-CG 3.27Å; L226-M230 WeakPolarHBondContact O-CG 3.38Å; L226-M230 PolarHBondContact O-N 3.37Å; L226-M230 VanDerWaalsContact O-N 3.11Å; A227-M230 PolarHBondContact O-N 2.94Å; A227-M230 VanDerWaalsContact O-N 3.14Å; V228-M230 VanDerWaalsContact C-N 3.3Å; V228-M230 PolarHBondContact O-N 3.5Å; M230-V232 VanDerWaalsContact C-N 3.31Å; M230-V232 PolarHBondContact O-N 3.17Å; M230-L233 PolarHBondContact O-N 3.1Å; M230-L233 HydrophobicContact SD-CD1 4.17Å; M230-V234 WeakPolarHBondContact O-CG2 3.15Å; M230-V234 PolarHBondContact O-N 2.84Å; M230-Y288 HydrophobicContact CE-CE1 4.43Å
231V95.3Very high93.8Very high53 Ų5337.7 Ų37.732%0.32120%0.195SC..Hα-helixtrans-59-43.9172.3171.70000110.8V203 A227 V228 L233 V234 L235V203-V231 HydrophobicContact CG2-CG2 3.71Å; A227-V231 WeakPolarHBondContact O-CG2 3.16Å; A227-V231 PolarHBondContact O-N 3.41Å; V228-V231 PolarHBondContact O-N 3.46Å; V231-L233 PolarHBondContact O-N 3.31Å; V231-V234 PolarHBondContact O-N 3.36Å; V231-L235 HydrophobicContact CG1-CD1 4.1Å; V231-L235 HydrophobicContact CG1-CG 4.42Å; V231-L235 VanDerWaalsContact O-CG 3.31Å; V231-L235 WeakPolarHBondContact O-CG 3.31Å; V231-L235 PolarHBondContact O-N 3.35Å
232V96.8Very high94.1Very high44 Ų4436.3 Ų36.327%0.26719%0.189SC..Hα-helixtrans-59.7-45.8175.8174.10000110.7V228 M229 M230 V234 L235 V236 I287 F291V228-V232 HydrophobicContact CG1-CG2 4.42Å; V228-V232 VanDerWaalsContact O-CG2 3.31Å; V228-V232 WeakPolarHBondContact O-CG2 3.18Å; V228-V232 PolarHBondContact O-N 3.32Å; M229-V232 PolarHBondContact O-N 2.79Å; M230-V232 VanDerWaalsContact C-N 3.31Å; M230-V232 PolarHBondContact O-N 3.17Å; V232-V234 PolarHBondContact O-N 2.97Å; V232-L235 PolarHBondContact O-N 2.91Å; V232-V236 HydrophobicContact CG1-CG2 4.39Å; V232-V236 WeakPolarHBondContact O-CG2 2.96Å; V232-V236 PolarHBondContact O-N 3.38Å; V232-I287 HydrophobicContact CG1-CD1 3.96Å; V232-I287 HydrophobicContact CG1-CG1 4.29Å; V232-I287 HydrophobicContact CG1-CG2 4.36Å; V232-F291 HydrophobicContact CG2-CE2 4.18Å; V232-F291 HydrophobicContact CG2-CZ 4.19Å
233L95Very high94.3Very high7 Ų735 Ų354%0.03719%0.187CC..Hα-helixtrans-61.2-40.9176.9-68.7173.2000112.6M229 M230 V231 L235 V236 F237 N284 I287 Y288M229-L233 WeakPolarHBondContact O-CG 3.41Å; M229-L233 PolarHBondContact O-N 3.16Å; M230-L233 PolarHBondContact O-N 3.1Å; M230-L233 HydrophobicContact SD-CD1 4.17Å; V231-L233 PolarHBondContact O-N 3.31Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.25Å; L233-V236 PolarHBondContact O-N 3.42Å; L233-F237 WeakPolarHBondContact O-CB 3.38Å; L233-F237 PolarHBondContact O-N 2.97Å; L233-N284 VanDerWaalsContact CD2-OD1 3.26Å; L233-N284 WeakPolarHBondContact CD2-OD1 3.49Å; L233-I287 HydrophobicContact CD2-CB 4.33Å; L233-I287 HydrophobicContact CD2-CD1 3.67Å; L233-I287 HydrophobicContact CD2-CG2 4.01Å; L233-I287 HydrophobicContact CG-CG2 4.15Å; L233-Y288 HydrophobicContact CD1-CE2 3.91Å
234V95.3Very high94.4Very high17 Ų1732.4 Ų32.410%0.10318%0.175CC..Hα-helixtrans-63.2-41174.8174.40000111.7L195 N199 M230 V231 V232 F237 F238L195-V234 HydrophobicContact CB-CG1 4.21Å; L195-V234 HydrophobicContact CB-CG2 3.91Å; L195-V234 HydrophobicContact CD2-CG2 4.39Å; N199-V234 HydrophobicContact CB-CG2 4.28Å; N199-V234 WeakPolarHBondContact ND2-CG2 3.32Å; M230-V234 WeakPolarHBondContact O-CG2 3.15Å; M230-V234 PolarHBondContact O-N 2.84Å; V231-V234 PolarHBondContact O-N 3.36Å; V232-V234 PolarHBondContact O-N 2.97Å; V234-F237 PolarHBondContact O-N 3.49Å; V234-F238 VanDerWaalsContact O-CB 3.3Å; V234-F238 WeakPolarHBondContact O-CB 3.49Å; V234-F238 PolarHBondContact O-N 3.09Å
235L96.4Very high94.5Very high99 Ų9933.2 Ų33.252%0.51818%0.178SC..Hα-helixtrans-65.9-42.2177-69.2174000111.7V231 V232 L233 F238 V239V231-L235 HydrophobicContact CG1-CD1 4.1Å; V231-L235 HydrophobicContact CG1-CG 4.42Å; V231-L235 VanDerWaalsContact O-CG 3.31Å; V231-L235 WeakPolarHBondContact O-CG 3.31Å; V231-L235 PolarHBondContact O-N 3.35Å; V232-L235 PolarHBondContact O-N 2.91Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.25Å; L235-F238 PolarHBondContact O-N 2.67Å; L235-V239 WeakPolarHBondContact O-CB 3.37Å; L235-V239 VanDerWaalsContact O-CG2 3.29Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 2.89Å
236V96.6Very high94.5Very high29 Ų2933.7 Ų33.718%0.17619%0.187CC..Hα-helixtrans-59.3-49.9174.5173.40000110.1V232 L233 F238 V239 S240 N280 I283 I287V232-V236 HydrophobicContact CG1-CG2 4.39Å; V232-V236 WeakPolarHBondContact O-CG2 2.96Å; V232-V236 PolarHBondContact O-N 3.38Å; L233-V236 PolarHBondContact O-N 3.42Å; V236-F238 VanDerWaalsContact C-N 3.34Å; V236-F238 PolarHBondContact O-N 2.69Å; V236-V239 PolarHBondContact O-N 3.05Å; V236-S240 WeakPolarHBondContact O-CB 3.36Å; V236-S240 PolarHBondContact O-N 3.49Å; V236-S240 PolarHBondContact O-OG 3.27Å; V236-N280 HydrophobicContact CG1-CB 4.01Å; V236-N280 VanDerWaalsContact CG1-OD1 3.25Å; V236-N280 WeakPolarHBondContact CG1-OD1 3.11Å; V236-I283 HydrophobicContact CG1-CG2 3.76Å; V236-I287 HydrophobicContact CG2-CD1 4.09Å
237F94.9Very high94.4Very high0 Ų033.4 Ų33.40%019%0.186CC..Hα-helixtrans-59-44.1177.4170.4-101000112.8V105 M108 V187 P191 L192 L195 L233 V234 S240 N241V105-F237 HydrophobicContact CB-CE2 4.34Å; V105-F237 HydrophobicContact CG1-CE2 3.81Å; V105-F237 HydrophobicContact CG1-CZ 3.96Å; V105-F237 HydrophobicContact CG2-CE2 3.73Å; M108-F237 HydrophobicContact CE-CB 3.6Å; M108-F237 HydrophobicContact CE-CD1 4.02Å; M108-F237 HydrophobicContact CE-CD2 3.09Å; M108-F237 HydrophobicContact CE-CE2 3.69Å; M108-F237 HydrophobicContact CE-CG 3.28Å; M108-F237 HydrophobicContact CE-CZ 4.35Å; M108-F237 HydrophobicContact SD-CB 3.99Å; M108-F237 HydrophobicContact SD-CD2 4.32Å; M108-F237 HydrophobicContact SD-CG 4.33Å; V187-F237 WeakPolarHBondContact O-CZ 3.34Å; P191-F237 HydrophobicContact CB-CE1 4.29Å; P191-F237 HydrophobicContact CB-CZ 3.86Å; L192-F237 HydrophobicContact CB-CE1 4.07Å; L192-F237 HydrophobicContact CD1-CD1 4.3Å; L192-F237 HydrophobicContact CD1-CE1 4.31Å; L195-F237 HydrophobicContact CD1-CD1 3.47Å; L195-F237 VanDerWaalsContact CD1-CD1 3.47Å; L195-F237 HydrophobicContact CD1-CE1 3.68Å; L195-F237 HydrophobicContact CD1-CG 3.98Å; L195-F237 HydrophobicContact CD1-CZ 4.34Å; L233-F237 WeakPolarHBondContact O-CB 3.38Å; L233-F237 PolarHBondContact O-N 2.97Å; V234-F237 PolarHBondContact O-N 3.49Å; F237-S240 PolarHBondContact O-N 2.97Å; F237-S240 PolarHBondContact O-OG 2.93Å; F237-S240 VanDerWaalsContact O-OG 3.05Å; F237-N241 WeakPolarHBondContact CD2-ND2 3.34Å; F237-N241 HydrophobicContact CE2-CB 4.42Å; F237-N241 WeakPolarHBondContact CE2-ND2 3.47Å; F237-N241 HydrophobicContact CZ-CB 4.45Å; F237-N241 WeakPolarHBondContact O-CB 3.31Å; F237-N241 PolarHBondContact O-N 2.68Å; F237-N241 PolarHBondContact O-ND2 3.36Å
238F95.3Very high94.3Very high89 Ų8934.5 Ų34.539%0.3919%0.19SC..Hα-helixtrans-61.3-50.8178.5174.2-109.8000110.5F188 L192 V234 L235 V236 S240 N241 S242F188-F238 HydrophobicContact CE2-CD2 4.45Å; F188-F238 HydrophobicContact CZ-CE2 4.4Å; L192-F238 HydrophobicContact CD1-CB 3.95Å; L192-F238 HydrophobicContact CD1-CD2 3.57Å; L192-F238 HydrophobicContact CD1-CG 4.18Å; L192-F238 HydrophobicContact CD2-CD2 3.55Å; L192-F238 HydrophobicContact CD2-CE2 3.79Å; L192-F238 HydrophobicContact CG-CD2 4.21Å; V234-F238 VanDerWaalsContact O-CB 3.3Å; V234-F238 WeakPolarHBondContact O-CB 3.49Å; V234-F238 PolarHBondContact O-N 3.09Å; L235-F238 PolarHBondContact O-N 2.67Å; V236-F238 VanDerWaalsContact C-N 3.34Å; V236-F238 PolarHBondContact O-N 2.69Å; F238-S240 VanDerWaalsContact C-N 3.31Å; F238-S240 PolarHBondContact O-N 3.2Å; F238-N241 PolarHBondContact O-N 3.29Å; F238-S242 WeakPolarHBondContact CD2-OG 3.33Å; F238-S242 VanDerWaalsContact CE2-OG 3.26Å; F238-S242 WeakPolarHBondContact CE2-OG 3.46Å; F238-S242 WeakPolarHBondContact CZ-OG 3.44Å; F238-S242 WeakPolarHBondContact O-CB 3.48Å; F238-S242 PolarHBondContact O-N 3.48Å; F238-S242 PolarHBondContact O-OG 3.12Å
239V95.9Very high94Very high83 Ų8334.1 Ų34.150%0.50319%0.192SC..Hα-helixtrans-60.4-43178.6171.40000110.7L235 V236 N241L235-V239 WeakPolarHBondContact O-CB 3.37Å; L235-V239 VanDerWaalsContact O-CG2 3.29Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 2.89Å; V236-V239 PolarHBondContact O-N 3.05Å; V239-N241 PolarHBondContact O-N 3.32Å
240S95.6Very high93.8Very high3 Ų336.8 Ų36.82%0.02121%0.207CC..Hα-helixtrans-70.4-32.3-176.6690000114.3V236 F237 F238 N273 L276 N280V236-S240 WeakPolarHBondContact O-CB 3.36Å; V236-S240 PolarHBondContact O-N 3.49Å; V236-S240 PolarHBondContact O-OG 3.27Å; F237-S240 PolarHBondContact O-N 2.97Å; F237-S240 PolarHBondContact O-OG 2.93Å; F237-S240 VanDerWaalsContact O-OG 3.05Å; F238-S240 VanDerWaalsContact C-N 3.31Å; F238-S240 PolarHBondContact O-N 3.2Å; S240-N273 PolarHBondContact O-OD1 3Å; S240-L276 VanDerWaalsContact CB-O 3.32Å; S240-L276 WeakPolarHBondContact CB-O 3.44Å; S240-N280 WeakPolarHBondContact OG-CB 3.41Å
241N94.2Very high93.4Very high1 Ų139 Ų391%0.00522%0.217CC..Hα-helixtrans-98.2-14.8-177.8-72.5-92.1000113.7H101 F188 F237 F238 V239 L243 A244 F245H101-N241 PolarHBondContact CE1-OD1 3Å; F188-N241 HydrophobicContact CD2-CB 3.73Å; F188-N241 HydrophobicContact CE2-CB 4.25Å; F237-N241 WeakPolarHBondContact CD2-ND2 3.34Å; F237-N241 HydrophobicContact CE2-CB 4.42Å; F237-N241 WeakPolarHBondContact CE2-ND2 3.47Å; F237-N241 HydrophobicContact CZ-CB 4.45Å; F237-N241 WeakPolarHBondContact O-CB 3.31Å; F237-N241 PolarHBondContact O-N 2.68Å; F237-N241 PolarHBondContact O-ND2 3.36Å; F238-N241 PolarHBondContact O-N 3.29Å; V239-N241 PolarHBondContact O-N 3.32Å; N241-L243 VanDerWaalsContact C-N 3.33Å; N241-L243 PolarHBondContact O-N 3.08Å; N241-A244 PolarHBondContact O-N 3.5Å; N241-F245 PolarHBondContact O-N 2.98Å; N241-F245 VanDerWaalsContact O-N 3.1Å
242S94Very high93Very high24 Ų2437.9 Ų37.917%0.16821%0.214CC..Hα-helixtrans-63.7-39.1178.9-70.10000112.1F238 F245 V246F238-S242 WeakPolarHBondContact CD2-OG 3.33Å; F238-S242 VanDerWaalsContact CE2-OG 3.26Å; F238-S242 WeakPolarHBondContact CE2-OG 3.46Å; F238-S242 WeakPolarHBondContact CZ-OG 3.44Å; F238-S242 WeakPolarHBondContact O-CB 3.48Å; F238-S242 PolarHBondContact O-N 3.48Å; F238-S242 PolarHBondContact O-OG 3.12Å; S242-F245 WeakPolarHBondContact O-CB 3.37Å; S242-F245 PolarHBondContact O-N 2.92Å; S242-V246 WeakPolarHBondContact O-CG2 3.46Å; S242-V246 PolarHBondContact O-N 3.36Å
243L94.1Very high92.5Very high37 Ų3739.7 Ų39.719%0.19423%0.233CC..Hα-helixtrans-67.2-41.4178.9-17557000111.3N241 F245 V246 L247 L269 V272 N273 L276N241-L243 VanDerWaalsContact C-N 3.33Å; N241-L243 PolarHBondContact O-N 3.08Å; L243-F245 VanDerWaalsContact C-N 3.28Å; L243-F245 PolarHBondContact O-N 2.91Å; L243-V246 PolarHBondContact O-N 3.35Å; L243-L247 HydrophobicContact CD1-CD1 4.24Å; L243-L247 HydrophobicContact CD1-CG 4.18Å; L243-L247 HydrophobicContact CG-CD1 3.95Å; L243-L247 HydrophobicContact CG-CG 4.38Å; L243-L247 WeakPolarHBondContact O-CB 3.48Å; L243-L247 WeakPolarHBondContact O-CG 3.37Å; L243-L247 PolarHBondContact O-N 3.24Å; L243-L269 WeakPolarHBondContact CD2-O 3.49Å; L243-V272 HydrophobicContact CD2-CB 4.09Å; L243-V272 HydrophobicContact CD2-CG1 3.77Å; L243-N273 HydrophobicContact CB-CB 4.32Å; L243-N273 HydrophobicContact CD2-CB 3.83Å; L243-N273 HydrophobicContact CG-CB 3.93Å; L243-L276 HydrophobicContact CB-CD1 4.28Å; L243-L276 HydrophobicContact CD2-CD1 4.05Å
244A92.6Very high91.9Very high3 Ų340.2 Ų40.23%0.02524%0.24CC..Hα-helixtrans-56.5-44.1173.600000111.5Y183 N241 N248 N273Y183-A244 HydrophobicContact CE1-CB 4.33Å; N241-A244 PolarHBondContact O-N 3.5Å; A244-N248 WeakPolarHBondContact O-CB 3.19Å; A244-N248 VanDerWaalsContact O-CG 3.28Å; A244-N248 PolarHBondContact O-N 2.67Å; A244-N273 WeakPolarHBondContact CA-OD1 3.39Å; A244-N273 VanDerWaalsContact CB-OD1 3.31Å; A244-N273 WeakPolarHBondContact CB-OD1 3.38Å; A244-N273 PolarHBondContact N-OD1 2.85Å
245F91.1Very high91.2Very high77 Ų7745.3 Ų45.334%0.33826%0.261SS..Hα-helixtrans-61.4-50.2175.9165.2-113.4000112F184 F188 N241 S242 L243 L247 N248 A249F184-F245 AromaticContact CD2-CD2 3.42Å; F184-F245 HydrophobicContact CD2-CD2 3.42Å; F184-F245 VanDerWaalsContact CD2-CD2 3.42Å; F184-F245 AromaticContact CD2-CE2 3.49Å; F184-F245 HydrophobicContact CD2-CE2 3.49Å; F184-F245 VanDerWaalsContact CD2-CE2 3.49Å; F184-F245 HydrophobicContact CD2-CG 4.45Å; F184-F245 AromaticContact CE2-CD2 3.73Å; F184-F245 HydrophobicContact CE2-CD2 3.73Å; F184-F245 AromaticContact CE2-CE2 3.46Å; F184-F245 HydrophobicContact CE2-CE2 3.46Å; F184-F245 VanDerWaalsContact CE2-CE2 3.46Å; F184-F245 HydrophobicContact CE2-CZ 4.18Å; F188-F245 HydrophobicContact CD1-CB 3.67Å; F188-F245 HydrophobicContact CD1-CD1 4.31Å; F188-F245 AromaticContact CD1-CD2 3.96Å; F188-F245 HydrophobicContact CD1-CD2 3.96Å; F188-F245 AromaticContact CD1-CG 3.7Å; F188-F245 HydrophobicContact CD1-CG 3.7Å; F188-F245 HydrophobicContact CD2-CB 4.38Å; F188-F245 HydrophobicContact CE1-CB 3.68Å; F188-F245 AromaticContact CE1-CD1 3.63Å; F188-F245 HydrophobicContact CE1-CD1 3.63Å; F188-F245 HydrophobicContact CE1-CD2 4.08Å; F188-F245 HydrophobicContact CE1-CE1 4.29Å; F188-F245 AromaticContact CE1-CG 3.49Å; F188-F245 HydrophobicContact CE1-CG 3.49Å; F188-F245 VanDerWaalsContact CE1-CG 3.49Å; F188-F245 HydrophobicContact CE2-CB 4.37Å; F188-F245 HydrophobicContact CG-CB 4.02Å; F188-F245 HydrophobicContact CZ-CB 4.04Å; F188-F245 HydrophobicContact CZ-CD1 4.12Å; F188-F245 HydrophobicContact CZ-CG 4.18Å; N241-F245 PolarHBondContact O-N 2.98Å; N241-F245 VanDerWaalsContact O-N 3.1Å; S242-F245 WeakPolarHBondContact O-CB 3.37Å; S242-F245 PolarHBondContact O-N 2.92Å; L243-F245 VanDerWaalsContact C-N 3.28Å; L243-F245 PolarHBondContact O-N 2.91Å; F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 PolarHBondContact O-N 2.94Å; F245-N248 PolarHBondContact O-N 3.31Å; F245-A249 HydrophobicContact CE2-CB 4.28Å; F245-A249 VanDerWaalsContact O-CB 3.29Å; F245-A249 WeakPolarHBondContact O-CB 3.42Å; F245-A249 PolarHBondContact O-N 3.39Å
246V92.8Very high90.2Very high67 Ų6741.6 Ų41.641%0.40624%0.241SC..Hα-helixtrans-59.6-44.3179.9171.40000110.7S242 L243 A249 L250S242-V246 WeakPolarHBondContact O-CG2 3.46Å; S242-V246 PolarHBondContact O-N 3.36Å; L243-V246 PolarHBondContact O-N 3.35Å; V246-A249 PolarHBondContact O-N 2.94Å; V246-L250 HydrophobicContact CG1-CD1 3.85Å; V246-L250 HydrophobicContact CG1-CG 4.34Å; V246-L250 WeakPolarHBondContact O-CB 3.37Å; V246-L250 VanDerWaalsContact O-CG 3.25Å; V246-L250 WeakPolarHBondContact O-CG 3.45Å; V246-L250 PolarHBondContact O-N 3.18Å
247L91.3Very high89Confident4 Ų446.4 Ų46.42%0.02127%0.265CS..Hα-helixtrans-63.4-47.9178.8-71.7169.5000112.3L243 F245 A249 L250 E251 F266 L269 N273L243-L247 HydrophobicContact CD1-CD1 4.24Å; L243-L247 HydrophobicContact CD1-CG 4.18Å; L243-L247 HydrophobicContact CG-CD1 3.95Å; L243-L247 HydrophobicContact CG-CG 4.38Å; L243-L247 WeakPolarHBondContact O-CB 3.48Å; L243-L247 WeakPolarHBondContact O-CG 3.37Å; L243-L247 PolarHBondContact O-N 3.24Å; F245-L247 VanDerWaalsContact C-N 3.31Å; F245-L247 PolarHBondContact O-N 2.94Å; L247-A249 VanDerWaalsContact C-N 3.3Å; L247-A249 PolarHBondContact O-N 3.19Å; L247-L250 PolarHBondContact O-N 3.09Å; L247-E251 WeakPolarHBondContact O-CB 3.38Å; L247-E251 PolarHBondContact O-N 3.46Å; L247-F266 HydrophobicContact CB-CE2 4.1Å; L247-F266 HydrophobicContact CD2-CD2 3.8Å; L247-F266 HydrophobicContact CD2-CE2 4.07Å; L247-L269 HydrophobicContact CD1-CB 4.01Å; L247-L269 HydrophobicContact CD2-CB 3.53Å; L247-L269 HydrophobicContact CD2-CD1 3.91Å; L247-L269 HydrophobicContact CD2-CG 4.38Å; L247-L269 HydrophobicContact CG-CB 4.29Å; L247-N273 HydrophobicContact CD1-CB 3.95Å
248N89.6Confident87.7Confident32 Ų3253.3 Ų53.317%0.17130%0.302CS..Hα-helixtrans-64.4-35.3177.6-72.6-10.4000111.9Y183 A244 F245 A252Y183-N248 WeakPolarHBondContact CD1-ND2 3.37Å; Y183-N248 WeakPolarHBondContact CE1-ND2 3.15Å; A244-N248 WeakPolarHBondContact O-CB 3.19Å; A244-N248 VanDerWaalsContact O-CG 3.28Å; A244-N248 PolarHBondContact O-N 2.67Å; F245-N248 PolarHBondContact O-N 3.31Å; N248-A252 VanDerWaalsContact O-CB 3.22Å; N248-A252 WeakPolarHBondContact O-CB 3.26Å; N248-A252 PolarHBondContact O-N 3.32Å
249A89.4Confident86.3Confident44 Ų4452.6 Ų52.636%0.36431%0.305SS..Hα-helixtrans-69-39.9176.600000112.1F245 V246 L247 A252 A253F245-A249 HydrophobicContact CE2-CB 4.28Å; F245-A249 VanDerWaalsContact O-CB 3.29Å; F245-A249 WeakPolarHBondContact O-CB 3.42Å; F245-A249 PolarHBondContact O-N 3.39Å; V246-A249 PolarHBondContact O-N 2.94Å; L247-A249 VanDerWaalsContact C-N 3.3Å; L247-A249 PolarHBondContact O-N 3.19Å; A249-A252 PolarHBondContact O-N 3.41Å; A249-A253 WeakPolarHBondContact O-CB 3.5Å; A249-A253 PolarHBondContact O-N 3.3Å
250L89.8Confident84.7Confident57 Ų5758 Ų5830%0.29832%0.322SS..Hα-helixtrans-69.3-38.8175.5-70.3173.7000112.1V246 L247 A253 G254 F255 F256V246-L250 HydrophobicContact CG1-CD1 3.85Å; V246-L250 HydrophobicContact CG1-CG 4.34Å; V246-L250 WeakPolarHBondContact O-CB 3.37Å; V246-L250 VanDerWaalsContact O-CG 3.25Å; V246-L250 WeakPolarHBondContact O-CG 3.45Å; V246-L250 PolarHBondContact O-N 3.18Å; L247-L250 PolarHBondContact O-N 3.09Å; L250-A253 PolarHBondContact O-N 3.14Å; L250-G254 PolarHBondContact O-N 3.05Å; L250-F255 HydrophobicContact CB-CB 4.29Å; L250-F255 HydrophobicContact CD2-CB 4.38Å; L250-F255 HydrophobicContact CD2-CG 4.32Å; L250-F255 VanDerWaalsContact O-CB 3.31Å; L250-F255 WeakPolarHBondContact O-CB 3.42Å; L250-F255 PolarHBondContact O-N 3.22Å; L250-F255 VanDerWaalsContact O-N 3.09Å; L250-F256 HydrophobicContact CB-CD2 4.42Å; L250-F256 HydrophobicContact CB-CE2 3.46Å; L250-F256 VanDerWaalsContact CB-CE2 3.46Å; L250-F256 HydrophobicContact CB-CZ 3.9Å; L250-F256 HydrophobicContact CD1-CZ 4.12Å
251E86.2Confident83.1Confident48 Ų4863.3 Ų63.322%0.22434%0.342CS..Hα-helixtrans-61.6-48.1171.4-172.5179.3-177.400110.3R169 H180 L247 A253 G254 F256 F266R169-E251 IonicContact NH2-OE1 2.97Å; R169-E251 PolarHBondContact NH2-OE1 3.4Å; R169-E251 IonicContact NH2-OE2 3.66Å; H180-E251 IonicContact NE2-OE2 3.86Å; L247-E251 WeakPolarHBondContact O-CB 3.38Å; L247-E251 PolarHBondContact O-N 3.46Å; E251-A253 VanDerWaalsContact C-N 3.25Å; E251-A253 PolarHBondContact O-N 3.36Å; E251-G254 PolarHBondContact O-N 3.4Å; E251-F256 HydrophobicContact CB-CD2 4.4Å; E251-F266 HydrophobicContact CB-CE2 4.24Å; E251-F266 HydrophobicContact CB-CZ 4.44Å
252A85.8Confident82.2Confident31 Ų3165.3 Ų65.326%0.25635%0.353SS..Hα-helixtrans-60.8-32.6177.700000113.5H180 N248 A249 G254H180-A252 HydrophobicContact CB-CB 4.16Å; H180-A252 WeakPolarHBondContact ND1-CB 3.46Å; N248-A252 VanDerWaalsContact O-CB 3.22Å; N248-A252 WeakPolarHBondContact O-CB 3.26Å; N248-A252 PolarHBondContact O-N 3.32Å; A249-A252 PolarHBondContact O-N 3.41Å; A252-G254 VanDerWaalsContact C-N 3.26Å; A252-G254 PolarHBondContact O-N 3.38Å
253A87.5Confident81.3Confident82 Ų8271 Ų7168%0.67837%0.371SS*.THydrogen-bonded Turntrans-80.10.2177.900000114.1A249 L250 E251 F255A249-A253 WeakPolarHBondContact O-CB 3.5Å; A249-A253 PolarHBondContact O-N 3.3Å; L250-A253 PolarHBondContact O-N 3.14Å; E251-A253 VanDerWaalsContact C-N 3.25Å; E251-A253 PolarHBondContact O-N 3.36Å; A253-F255 VanDerWaalsContact C-N 3.3Å; A253-F255 PolarHBondContact O-N 3.47Å
254G82.2Confident80.6Confident18 Ų1871.9 Ų71.919%0.18637%0.372CS..THydrogen-bonded Turntrans7318.4-179.800000114.2L250 E251 A252 F256 D257L250-G254 PolarHBondContact O-N 3.05Å; E251-G254 PolarHBondContact O-N 3.4Å; A252-G254 VanDerWaalsContact C-N 3.26Å; A252-G254 PolarHBondContact O-N 3.38Å; G254-F256 PolarHBondContact O-N 3.07Å; G254-D257 WeakPolarHBondContact CA-OD2 3.29Å; G254-D257 PolarHBondContact O-N 3.31Å
255F79.5Confident80.2Confident124 Ų12475.7 Ų75.754%0.54439%0.391SS..THydrogen-bonded Turntrans-64.2-25-176.4-166.7-94.2000112.7L250 A253L250-F255 HydrophobicContact CB-CB 4.29Å; L250-F255 HydrophobicContact CD2-CB 4.38Å; L250-F255 HydrophobicContact CD2-CG 4.32Å; L250-F255 VanDerWaalsContact O-CB 3.31Å; L250-F255 WeakPolarHBondContact O-CB 3.42Å; L250-F255 PolarHBondContact O-N 3.22Å; L250-F255 VanDerWaalsContact O-N 3.09Å; A253-F255 VanDerWaalsContact C-N 3.3Å; A253-F255 PolarHBondContact O-N 3.47Å
256F75Confident80Confident21 Ų2173.3 Ų73.39%0.09238%0.381CS..THydrogen-bonded Turntrans-102.85-176.1-55.8-67.6000114.5L250 E251 G254 D262 F266L250-F256 HydrophobicContact CB-CD2 4.42Å; L250-F256 HydrophobicContact CB-CE2 3.46Å; L250-F256 VanDerWaalsContact CB-CE2 3.46Å; L250-F256 HydrophobicContact CB-CZ 3.9Å; L250-F256 HydrophobicContact CD1-CZ 4.12Å; E251-F256 HydrophobicContact CB-CD2 4.4Å; G254-F256 PolarHBondContact O-N 3.07Å; F256-D262 HydrophobicContact CD1-CB 3.91Å; F256-D262 VanDerWaalsContact CD1-O 3.31Å; F256-D262 WeakPolarHBondContact CD1-O 3.27Å; F256-F266 HydrophobicContact CD1-CB 3.72Å; F256-F266 HydrophobicContact CD1-CD2 4.35Å; F256-F266 HydrophobicContact CD1-CG 4.32Å; F256-F266 HydrophobicContact CD2-CB 4.34Å; F256-F266 AromaticContact CD2-CD2 3.53Å; F256-F266 HydrophobicContact CD2-CD2 3.53Å; F256-F266 HydrophobicContact CD2-CE2 4Å; F256-F266 HydrophobicContact CD2-CG 4.07Å; F256-F266 HydrophobicContact CE1-CB 3.7Å; F256-F266 HydrophobicContact CE1-CD2 4.1Å; F256-F266 HydrophobicContact CE1-CG 4.34Å; F256-F266 HydrophobicContact CE2-CB 4.32Å; F256-F266 AromaticContact CE2-CD2 3.21Å; F256-F266 HydrophobicContact CE2-CD2 3.21Å; F256-F266 AromaticContact CE2-CE2 3.76Å; F256-F266 HydrophobicContact CE2-CE2 3.76Å; F256-F266 HydrophobicContact CE2-CG 4.08Å; F256-F266 HydrophobicContact CG-CB 4.06Å; F256-F266 HydrophobicContact CG-CD2 4.11Å; F256-F266 HydrophobicContact CG-CG 4.21Å; F256-F266 HydrophobicContact CZ-CB 4.02Å; F256-F266 AromaticContact CZ-CD2 3.54Å; F256-F266 HydrophobicContact CZ-CD2 3.54Å; F256-F266 HydrophobicContact CZ-CE2 4.45Å; F256-F266 HydrophobicContact CZ-CG 4.22Å
257D73.3Confident79.5Confident129 Ų12975.8 Ų75.869%0.6938%0.384SS*.SBendtrans-76.6-28.8-174.3-70.8-23000113.3G254G254-D257 WeakPolarHBondContact CA-OD2 3.29Å; G254-D257 PolarHBondContact O-N 3.31Å
258N66Low79.3Confident145 Ų14576.3 Ų76.378%0.77539%0.387SS*.SBendtrans-99.6-16.7-161.7-68.5-52.8000115.5
259V66Low79.4Confident74 Ų7477.7 Ų77.745%0.44839%0.394SS..  trans-141.4129.7-174.9-161.60000112.6Y261 D262 R263V259-Y261 PolarHBondContact O-N 3.06Å; V259-D262 HydrophobicContact CB-CB 4.39Å; V259-D262 VanDerWaalsContact CB-OD2 3.28Å; V259-D262 WeakPolarHBondContact CB-OD2 3.31Å; V259-D262 VanDerWaalsContact CG2-OD2 3.3Å; V259-D262 WeakPolarHBondContact CG2-OD2 3.23Å; V259-D262 PolarHBondContact O-N 3.08Å; V259-R263 PolarHBondContact O-N 3.39Å
260K63.8Low79.5Confident198 Ų19877.3 Ų77.386%0.86139%0.387SS*.Hα-helixtrans-51.2-31.7172.5-73.6-174.2179.3-179.70113.1Y264K260-Y264 PolarHBondContact O-N 3.22Å
261Y61.7Low79.5Confident113 Ų11375.7 Ų75.744%0.44338%0.379SS..Hα-helixtrans-67.7-43.6179.1-122.1-83.8000112.3R4 V259 R263 Y264 I265R4-Y261 WeakPolarHBondContact CD-OH 3.38Å; R4-Y261 VanDerWaalsContact CZ-OH 3.23Å; R4-Y261 PolarHBondContact NE-OH 3.32Å; R4-Y261 PolarHBondContact NH1-OH 3.14Å; V259-Y261 PolarHBondContact O-N 3.06Å; Y261-R263 PolarHBondContact O-N 3.19Å; Y261-Y264 PolarHBondContact O-N 2.88Å; Y261-I265 PolarHBondContact O-N 2.84Å
262D74.5Confident79.9Confident43 Ų4375.7 Ų75.723%0.2338%0.382CS..Hα-helixtrans-63.7-37.5179-57.6-20.7000110F256 V259 Y264 I265 F266F256-D262 HydrophobicContact CD1-CB 3.91Å; F256-D262 VanDerWaalsContact CD1-O 3.31Å; F256-D262 WeakPolarHBondContact CD1-O 3.27Å; V259-D262 HydrophobicContact CB-CB 4.39Å; V259-D262 VanDerWaalsContact CB-OD2 3.28Å; V259-D262 WeakPolarHBondContact CB-OD2 3.31Å; V259-D262 VanDerWaalsContact CG2-OD2 3.3Å; V259-D262 WeakPolarHBondContact CG2-OD2 3.23Å; V259-D262 PolarHBondContact O-N 3.08Å; D262-Y264 PolarHBondContact O-N 3.2Å; D262-I265 PolarHBondContact O-N 3.38Å; D262-F266 PolarHBondContact O-N 2.88Å
263R76Confident80.3Confident145 Ų14574.8 Ų74.855%0.54737%0.373SS..Hα-helixtrans-63.4-35.8176.8-160.3-172.8-95.4-155.6-4.1113.3V259 Y261 F266 Y267V259-R263 PolarHBondContact O-N 3.39Å; Y261-R263 PolarHBondContact O-N 3.19Å; R263-F266 WeakPolarHBondContact O-CB 3.43Å; R263-Y267 HydrophobicContact CG-CD2 4.29Å; R263-Y267 HydrophobicContact CG-CE2 3.55Å; R263-Y267 WeakPolarHBondContact O-CD2 3.31Å; R263-Y267 PolarHBondContact O-N 3.2Å
264Y79.5Confident80.6Confident54 Ų5471.8 Ų71.821%0.21235%0.346CS..Hα-helixtrans-68.3-44.5176.3172.3-96.7000112.2Q8 K260 Y261 D262 F266 Y267 C268Q8-Y264 WeakPolarHBondContact CA-OH 3.36Å; Q8-Y264 HydrophobicContact CB-CE2 3.61Å; Q8-Y264 WeakPolarHBondContact CB-OH 3.45Å; Q8-Y264 VanDerWaalsContact CD-CZ 3.47Å; Q8-Y264 HydrophobicContact CG-CD1 4.46Å; Q8-Y264 HydrophobicContact CG-CD2 4.25Å; Q8-Y264 HydrophobicContact CG-CE1 3.71Å; Q8-Y264 HydrophobicContact CG-CE2 3.45Å; Q8-Y264 VanDerWaalsContact CG-CE2 3.45Å; Q8-Y264 WeakPolarHBondContact CG-OH 3.39Å; Q8-Y264 VanDerWaalsContact NE2-CE1 3.31Å; Q8-Y264 VanDerWaalsContact NE2-CE2 3.28Å; K260-Y264 PolarHBondContact O-N 3.22Å; Y261-Y264 PolarHBondContact O-N 2.88Å; D262-Y264 PolarHBondContact O-N 3.2Å; Y264-F266 PolarHBondContact O-N 2.85Å; Y264-Y267 PolarHBondContact O-N 2.93Å; Y264-C268 WeakPolarHBondContact CE1-SG 3.42Å; Y264-C268 PolarHBondContact O-N 2.98Å; Y264-C268 PolarHBondContact OH-SG 2.97Å
265I83.8Confident81.2Confident83 Ų8372.5 Ų72.543%0.42635%0.345SS..Hα-helixtrans-60.4-41.2177.5-65.1173.4000109.7Y261 D262 Y267 C268 L269Y261-I265 PolarHBondContact O-N 2.84Å; D262-I265 PolarHBondContact O-N 3.38Å; I265-Y267 PolarHBondContact O-N 3.22Å; I265-C268 PolarHBondContact O-N 3.32Å; I265-L269 HydrophobicContact CG2-CD1 3.9Å; I265-L269 HydrophobicContact CG2-CG 4.31Å; I265-L269 WeakPolarHBondContact O-CG 3.19Å; I265-L269 PolarHBondContact O-N 3.1Å
266F85.6Confident82Confident27 Ų2769 Ų6912%0.11833%0.332CS..Hα-helixtrans-56.4-47.3174.1179.3-104.4000112.9L247 E251 F256 D262 R263 Y264 C268 L269 T270L247-F266 HydrophobicContact CB-CE2 4.1Å; L247-F266 HydrophobicContact CD2-CD2 3.8Å; L247-F266 HydrophobicContact CD2-CE2 4.07Å; E251-F266 HydrophobicContact CB-CE2 4.24Å; E251-F266 HydrophobicContact CB-CZ 4.44Å; F256-F266 HydrophobicContact CD1-CB 3.72Å; F256-F266 HydrophobicContact CD1-CD2 4.35Å; F256-F266 HydrophobicContact CD1-CG 4.32Å; F256-F266 HydrophobicContact CD2-CB 4.34Å; F256-F266 AromaticContact CD2-CD2 3.53Å; F256-F266 HydrophobicContact CD2-CD2 3.53Å; F256-F266 HydrophobicContact CD2-CE2 4Å; F256-F266 HydrophobicContact CD2-CG 4.07Å; F256-F266 HydrophobicContact CE1-CB 3.7Å; F256-F266 HydrophobicContact CE1-CD2 4.1Å; F256-F266 HydrophobicContact CE1-CG 4.34Å; F256-F266 HydrophobicContact CE2-CB 4.32Å; F256-F266 AromaticContact CE2-CD2 3.21Å; F256-F266 HydrophobicContact CE2-CD2 3.21Å; F256-F266 AromaticContact CE2-CE2 3.76Å; F256-F266 HydrophobicContact CE2-CE2 3.76Å; F256-F266 HydrophobicContact CE2-CG 4.08Å; F256-F266 HydrophobicContact CG-CB 4.06Å; F256-F266 HydrophobicContact CG-CD2 4.11Å; F256-F266 HydrophobicContact CG-CG 4.21Å; F256-F266 HydrophobicContact CZ-CB 4.02Å; F256-F266 AromaticContact CZ-CD2 3.54Å; F256-F266 HydrophobicContact CZ-CD2 3.54Å; F256-F266 HydrophobicContact CZ-CE2 4.45Å; F256-F266 HydrophobicContact CZ-CG 4.22Å; D262-F266 PolarHBondContact O-N 2.88Å; R263-F266 WeakPolarHBondContact O-CB 3.43Å; Y264-F266 PolarHBondContact O-N 2.85Å; F266-C268 PolarHBondContact O-N 2.86Å; F266-L269 PolarHBondContact O-N 3.18Å; F266-T270 WeakPolarHBondContact O-CB 3.44Å; F266-T270 PolarHBondContact O-N 2.89Å; F266-T270 PolarHBondContact O-OG1 2.83Å
267Y83.9Confident83.1Confident120 Ų12068.7 Ų68.747%0.47133%0.331SS..Hα-helixtrans-62.8-42.5177.6-66.9-50.7000112.1R263 Y264 I265 L269 T270 D271R263-Y267 HydrophobicContact CG-CD2 4.29Å; R263-Y267 HydrophobicContact CG-CE2 3.55Å; R263-Y267 WeakPolarHBondContact O-CD2 3.31Å; R263-Y267 PolarHBondContact O-N 3.2Å; Y264-Y267 PolarHBondContact O-N 2.93Å; I265-Y267 PolarHBondContact O-N 3.22Å; Y267-L269 PolarHBondContact O-N 3.37Å; Y267-T270 WeakPolarHBondContact O-CB 3.38Å; Y267-T270 PolarHBondContact O-N 3.46Å; Y267-T270 VanDerWaalsContact O-N 3.14Å; Y267-D271 PolarHBondContact O-N 3.28Å
268C87.2Confident84.2Confident14 Ų1462.8 Ų62.810%0.09530%0.299CS..Hα-helixtrans-60.4-44.9176.1-71.10000112.8F11 Y264 I265 F266 T270 D271 V272F11-C268 HydrophobicContact CD1-CB 4.2Å; F11-C268 HydrophobicContact CE1-CB 3.51Å; F11-C268 HydrophobicContact CZ-CB 3.92Å; Y264-C268 WeakPolarHBondContact CE1-SG 3.42Å; Y264-C268 PolarHBondContact O-N 2.98Å; Y264-C268 PolarHBondContact OH-SG 2.97Å; I265-C268 PolarHBondContact O-N 3.32Å; F266-C268 PolarHBondContact O-N 2.86Å; C268-T270 VanDerWaalsContact C-N 3.27Å; C268-T270 PolarHBondContact O-N 2.89Å; C268-D271 PolarHBondContact O-N 3.16Å; C268-V272 WeakPolarHBondContact O-CG2 3.07Å; C268-V272 PolarHBondContact O-N 2.84Å
269L90.9Very high85.6Confident61 Ų6160.4 Ų60.432%0.31928%0.282SS..Hα-helixtrans-67.1-33177.7-68172.9000111.3L243 L247 I265 F266 Y267 V272 N273L243-L269 WeakPolarHBondContact CD2-O 3.49Å; L247-L269 HydrophobicContact CD1-CB 4.01Å; L247-L269 HydrophobicContact CD2-CB 3.53Å; L247-L269 HydrophobicContact CD2-CD1 3.91Å; L247-L269 HydrophobicContact CD2-CG 4.38Å; L247-L269 HydrophobicContact CG-CB 4.29Å; I265-L269 HydrophobicContact CG2-CD1 3.9Å; I265-L269 HydrophobicContact CG2-CG 4.31Å; I265-L269 WeakPolarHBondContact O-CG 3.19Å; I265-L269 PolarHBondContact O-N 3.1Å; F266-L269 PolarHBondContact O-N 3.18Å; Y267-L269 PolarHBondContact O-N 3.37Å; L269-V272 PolarHBondContact O-N 3.18Å; L269-N273 WeakPolarHBondContact O-CB 3.22Å; L269-N273 PolarHBondContact O-N 3.41Å
270T90.6Very high87.1Confident36 Ų3657.1 Ų57.122%0.22126%0.262CS..Hα-helixtrans-64.5-41.5173.6-58.60000111.3F266 Y267 C268 N273 N274F266-T270 WeakPolarHBondContact O-CB 3.44Å; F266-T270 PolarHBondContact O-N 2.89Å; F266-T270 PolarHBondContact O-OG1 2.83Å; Y267-T270 WeakPolarHBondContact O-CB 3.38Å; Y267-T270 PolarHBondContact O-N 3.46Å; Y267-T270 VanDerWaalsContact O-N 3.14Å; C268-T270 VanDerWaalsContact C-N 3.27Å; C268-T270 PolarHBondContact O-N 2.89Å; T270-N273 WeakPolarHBondContact O-CB 3.32Å; T270-N273 PolarHBondContact O-N 3.06Å; T270-N274 VanDerWaalsContact O-CG 3.25Å; T270-N274 PolarHBondContact O-N 2.91Å; T270-N274 PolarHBondContact O-ND2 3.35Å
271D90.6Very high88.7Confident24 Ų2447.7 Ų47.713%0.12822%0.221CC..Hα-helixtrans-64.3-41.7175.3-67.4-23.1000111.7C15 Y267 C268 N273 N274 L275C15-D271 HydrophobicContact CB-CB 4.35Å; Y267-D271 PolarHBondContact O-N 3.28Å; C268-D271 PolarHBondContact O-N 3.16Å; D271-N273 VanDerWaalsContact C-N 3.32Å; D271-N273 PolarHBondContact O-N 3.13Å; D271-N274 PolarHBondContact O-N 3.38Å; D271-L275 WeakPolarHBondContact O-CB 3.4Å; D271-L275 PolarHBondContact O-N 3.41Å
272V93.9Very high90.5Very high47 Ų4742.5 Ų42.529%0.28520%0.201SC..Hα-helixtrans-62.1-41.3173174.80000110.9F11 L243 C268 L269 L275 L276F11-V272 HydrophobicContact CE2-CG2 4.49Å; F11-V272 HydrophobicContact CZ-CG2 3.77Å; L243-V272 HydrophobicContact CD2-CB 4.09Å; L243-V272 HydrophobicContact CD2-CG1 3.77Å; C268-V272 WeakPolarHBondContact O-CG2 3.07Å; C268-V272 PolarHBondContact O-N 2.84Å; L269-V272 PolarHBondContact O-N 3.18Å; V272-L275 PolarHBondContact O-N 3.38Å; V272-L276 HydrophobicContact CG1-CD1 4.31Å; V272-L276 WeakPolarHBondContact O-CG 3.25Å; V272-L276 PolarHBondContact O-N 3.04Å
273N94.8Very high91.6Very high12 Ų1242 Ų426%0.06420%0.198CC..Hα-helixtrans-62.5-45.917717964000112.1S240 L243 A244 L247 L269 T270 D271 L275 L276 I277S240-N273 PolarHBondContact O-OD1 3Å; L243-N273 HydrophobicContact CB-CB 4.32Å; L243-N273 HydrophobicContact CD2-CB 3.83Å; L243-N273 HydrophobicContact CG-CB 3.93Å; A244-N273 WeakPolarHBondContact CA-OD1 3.39Å; A244-N273 VanDerWaalsContact CB-OD1 3.31Å; A244-N273 WeakPolarHBondContact CB-OD1 3.38Å; A244-N273 PolarHBondContact N-OD1 2.85Å; L247-N273 HydrophobicContact CD1-CB 3.95Å; L269-N273 WeakPolarHBondContact O-CB 3.22Å; L269-N273 PolarHBondContact O-N 3.41Å; T270-N273 WeakPolarHBondContact O-CB 3.32Å; T270-N273 PolarHBondContact O-N 3.06Å; D271-N273 VanDerWaalsContact C-N 3.32Å; D271-N273 PolarHBondContact O-N 3.13Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 3.46Å; N273-L276 WeakPolarHBondContact O-CB 3.34Å; N273-L276 PolarHBondContact O-N 3.41Å; N273-L276 VanDerWaalsContact O-N 3.15Å; N273-I277 WeakPolarHBondContact O-CG1 3.24Å; N273-I277 PolarHBondContact O-N 2.87Å
274N94.3Very high92.5Very high20 Ų2035.4 Ų35.411%0.10717%0.174CC..Hα-helixtrans-60.9-43.5177.4-68.1-28.8000111M19 F68 T270 D271 L276 I277 E278M19-N274 HydrophobicContact SD-CB 4.02Å; F68-N274 HydrophobicContact CB-CB 4.05Å; F68-N274 WeakPolarHBondContact CD1-ND2 3.34Å; F68-N274 HydrophobicContact CG-CB 4.23Å; T270-N274 VanDerWaalsContact O-CG 3.25Å; T270-N274 PolarHBondContact O-N 2.91Å; T270-N274 PolarHBondContact O-ND2 3.35Å; D271-N274 PolarHBondContact O-N 3.38Å; N274-L276 VanDerWaalsContact C-N 3.33Å; N274-L276 PolarHBondContact O-N 2.96Å; N274-I277 PolarHBondContact O-N 3.03Å; N274-E278 WeakPolarHBondContact O-CG 3.43Å; N274-E278 PolarHBondContact O-N 3.09Å
275L95Very high93.2Very high32 Ų3233 Ų3317%0.16817%0.165CC..Hα-helixtrans-58.8-41.9173.8177.862.7000112.5L18 M19 V22 D271 V272 N273 E278 F279L18-L275 HydrophobicContact CB-CD1 4.01Å; L18-L275 HydrophobicContact CB-CD2 4.12Å; L18-L275 HydrophobicContact CD1-CD2 4.23Å; M19-L275 HydrophobicContact CB-CD1 4.37Å; M19-L275 HydrophobicContact CG-CB 3.83Å; M19-L275 HydrophobicContact CG-CD1 3.69Å; M19-L275 HydrophobicContact CG-CG 4.35Å; M19-L275 HydrophobicContact SD-CB 4.48Å; V22-L275 HydrophobicContact CB-CD1 4.49Å; V22-L275 HydrophobicContact CG2-CD1 4.06Å; D271-L275 WeakPolarHBondContact O-CB 3.4Å; D271-L275 PolarHBondContact O-N 3.41Å; V272-L275 PolarHBondContact O-N 3.38Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 3.46Å; L275-E278 PolarHBondContact O-N 3.46Å; L275-F279 VanDerWaalsContact O-CB 3.32Å; L275-F279 WeakPolarHBondContact O-CB 3.32Å; L275-F279 PolarHBondContact O-N 3.3Å
276L96.8Very high93.8Very high51 Ų5133 Ų3327%0.26716%0.162SC..Hα-helixtrans-65.1-39.5177.1-72.8172.4000112.4S240 L243 V272 N273 N274 F279 N280S240-L276 VanDerWaalsContact CB-O 3.32Å; S240-L276 WeakPolarHBondContact CB-O 3.44Å; L243-L276 HydrophobicContact CB-CD1 4.28Å; L243-L276 HydrophobicContact CD2-CD1 4.05Å; V272-L276 HydrophobicContact CG1-CD1 4.31Å; V272-L276 WeakPolarHBondContact O-CG 3.25Å; V272-L276 PolarHBondContact O-N 3.04Å; N273-L276 WeakPolarHBondContact O-CB 3.34Å; N273-L276 PolarHBondContact O-N 3.41Å; N273-L276 VanDerWaalsContact O-N 3.15Å; N274-L276 VanDerWaalsContact C-N 3.33Å; N274-L276 PolarHBondContact O-N 2.96Å; L276-F279 PolarHBondContact O-N 3.14Å; L276-N280 PolarHBondContact O-N 2.78Å
277I96.7Very high94.3Very high14 Ų1432.1 Ų32.17%0.07216%0.158CC..Hα-helixtrans-66.1-44.2176.6-68.8170.2000110.8L60 N273 N274 F279 N280 S281L60-I277 HydrophobicContact CD2-CG2 4.13Å; N273-I277 WeakPolarHBondContact O-CG1 3.24Å; N273-I277 PolarHBondContact O-N 2.87Å; N274-I277 PolarHBondContact O-N 3.03Å; I277-F279 VanDerWaalsContact C-N 3.31Å; I277-F279 PolarHBondContact O-N 3.43Å; I277-N280 PolarHBondContact O-N 2.87Å; I277-S281 PolarHBondContact O-N 3.34Å; I277-S281 VanDerWaalsContact O-N 3.1Å; I277-S281 PolarHBondContact O-OG 3.27Å
278E96.2Very high94.8Very high5 Ų526.5 Ų26.52%0.02314%0.136CC..Hα-helixtrans-62.4-40.3174.6-72.2-171165.200111.5M19 V22 L61 T65 N274 L275 S281 S282M19-E278 VanDerWaalsContact CA-OE2 3.25Å; M19-E278 WeakPolarHBondContact CA-OE2 3.34Å; M19-E278 WeakPolarHBondContact CB-OE2 3.4Å; M19-E278 WeakPolarHBondContact CG-OE2 3.42Å; V22-E278 HydrophobicContact CG1-CB 4.08Å; L61-E278 HydrophobicContact CD2-CB 3.93Å; L61-E278 HydrophobicContact CD2-CG 4Å; T65-E278 VanDerWaalsContact CA-OE1 3.29Å; T65-E278 WeakPolarHBondContact CA-OE1 3.29Å; T65-E278 WeakPolarHBondContact CB-OE1 3.4Å; T65-E278 PolarHBondContact OG1-OE1 3.33Å; N274-E278 WeakPolarHBondContact O-CG 3.43Å; N274-E278 PolarHBondContact O-N 3.09Å; L275-E278 PolarHBondContact O-N 3.46Å; E278-S281 PolarHBondContact O-N 3.47Å; E278-S282 WeakPolarHBondContact O-CB 3.3Å; E278-S282 PolarHBondContact O-N 3.05Å; E278-S282 VanDerWaalsContact O-N 3.08Å; E278-S282 PolarHBondContact O-OG 3.41Å
279F97Very high95.1Very high96 Ų9627.2 Ų27.242%0.42114%0.139SC..Hα-helixtrans-62.5-45176.4-176.8-98.1000112V22 L275 L276 I277 S281 S282 I283V22-F279 HydrophobicContact CG1-CB 4.22Å; V22-F279 HydrophobicContact CG1-CD2 4.49Å; V22-F279 HydrophobicContact CG2-CD2 4.46Å; L275-F279 VanDerWaalsContact O-CB 3.32Å; L275-F279 WeakPolarHBondContact O-CB 3.32Å; L275-F279 PolarHBondContact O-N 3.3Å; L276-F279 PolarHBondContact O-N 3.14Å; I277-F279 VanDerWaalsContact C-N 3.31Å; I277-F279 PolarHBondContact O-N 3.43Å; F279-S281 PolarHBondContact O-N 2.95Å; F279-S282 PolarHBondContact O-N 3.36Å; F279-I283 HydrophobicContact CE1-CB 4.16Å; F279-I283 HydrophobicContact CE1-CD1 4.33Å; F279-I283 HydrophobicContact CE1-CG1 4.06Å; F279-I283 HydrophobicContact CE1-CG2 4.47Å; F279-I283 HydrophobicContact CE2-CD1 4.13Å; F279-I283 HydrophobicContact CZ-CB 4.25Å; F279-I283 HydrophobicContact CZ-CD1 3.67Å; F279-I283 HydrophobicContact CZ-CG1 3.91Å; F279-I283 WeakPolarHBondContact O-CB 3.49Å; F279-I283 WeakPolarHBondContact O-CG2 3.44Å; F279-I283 PolarHBondContact O-N 3.29Å
280N97.1Very high95.3Very high4 Ų429.7 Ų29.72%0.02115%0.151CC..Hα-helixtrans-56.8-39.1174.217560.9000112.1V236 S240 L276 I277 S282V236-N280 HydrophobicContact CG1-CB 4.01Å; V236-N280 VanDerWaalsContact CG1-OD1 3.25Å; V236-N280 WeakPolarHBondContact CG1-OD1 3.11Å; S240-N280 WeakPolarHBondContact OG-CB 3.41Å; L276-N280 PolarHBondContact O-N 2.78Å; I277-N280 PolarHBondContact O-N 2.87Å; N280-S282 PolarHBondContact O-N 2.87Å
281S97.7Very high95.4Very high0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-74.8-14179.1-48.50000113.3N30 D57 L60 I277 E278 F279N30-S281 PolarHBondContact ND2-O 3.48Å; D57-S281 WeakPolarHBondContact CB-O 3.47Å; L60-S281 WeakPolarHBondContact CD2-OG 3.22Å; I277-S281 PolarHBondContact O-N 3.34Å; I277-S281 VanDerWaalsContact O-N 3.1Å; I277-S281 PolarHBondContact O-OG 3.27Å; E278-S281 PolarHBondContact O-N 3.47Å; F279-S281 PolarHBondContact O-N 2.95Å
282S97.9Very high95.4Very high5 Ų529.4 Ų29.44%0.03515%0.147CC..Hα-helixtrans-106.2-24-174.8-57.50000113.3V22 G26 E278 F279 N280V22-S282 WeakPolarHBondContact CG1-OG 3.46Å; V22-S282 PolarHBondContact O-OG 3.3Å; G26-S282 VanDerWaalsContact CA-CB 3.45Å; G26-S282 WeakPolarHBondContact CA-OG 3.5Å; E278-S282 WeakPolarHBondContact O-CB 3.3Å; E278-S282 PolarHBondContact O-N 3.05Å; E278-S282 VanDerWaalsContact O-N 3.08Å; E278-S282 PolarHBondContact O-OG 3.41Å; F279-S282 PolarHBondContact O-N 3.36Å; N280-S282 PolarHBondContact O-N 2.87Å
283I97.3Very high95.1Very high32 Ų3233.5 Ų33.516%0.16416%0.157CC..SBendtrans-83.2-14.8-168.9-162.760.8000114V236 F279 L285 F286 I287V236-I283 HydrophobicContact CG1-CG2 3.76Å; F279-I283 HydrophobicContact CE1-CB 4.16Å; F279-I283 HydrophobicContact CE1-CD1 4.33Å; F279-I283 HydrophobicContact CE1-CG1 4.06Å; F279-I283 HydrophobicContact CE1-CG2 4.47Å; F279-I283 HydrophobicContact CE2-CD1 4.13Å; F279-I283 HydrophobicContact CZ-CB 4.25Å; F279-I283 HydrophobicContact CZ-CD1 3.67Å; F279-I283 HydrophobicContact CZ-CG1 3.91Å; F279-I283 WeakPolarHBondContact O-CB 3.49Å; F279-I283 WeakPolarHBondContact O-CG2 3.44Å; F279-I283 PolarHBondContact O-N 3.29Å; I283-L285 PolarHBondContact O-N 2.87Å; I283-F286 HydrophobicContact CD1-CB 4.23Å; I283-F286 HydrophobicContact CD1-CD2 4.22Å; I283-F286 PolarHBondContact O-N 2.86Å; I283-I287 HydrophobicContact CB-CD1 4.37Å; I283-I287 HydrophobicContact CG1-CD1 3.83Å; I283-I287 HydrophobicContact CG1-CG1 4.05Å; I283-I287 HydrophobicContact CG2-CD1 3.8Å; I283-I287 PolarHBondContact O-N 3.46Å; I283-I287 VanDerWaalsContact O-N 3.15Å
284N94.8Very high94.6Very high7 Ų735 Ų354%0.03716%0.162CC..Hα-helixtrans-50.8-59.7-173.4-78.4-33.4000112.5D57 L233 F286 I287 Y288D57-N284 PolarHBondContact OD2-ND2 3.35Å; L233-N284 VanDerWaalsContact CD2-OD1 3.26Å; L233-N284 WeakPolarHBondContact CD2-OD1 3.49Å; N284-F286 VanDerWaalsContact C-N 3.26Å; N284-F286 PolarHBondContact O-N 3.03Å; N284-F286 VanDerWaalsContact O-N 3.16Å; N284-I287 PolarHBondContact O-N 3.41Å; N284-I287 VanDerWaalsContact O-N 3.13Å; N284-Y288 WeakPolarHBondContact O-CD2 3.42Å; N284-Y288 PolarHBondContact O-N 2.93Å
285L94.8Very high94.3Very high4 Ų434.1 Ų34.12%0.02116%0.157CC..Hα-helixtrans-49.1-47.7-179.7168.567.5000112G29 I32 F33 I283 I287 Y288 L289 L295G29-L285 VanDerWaalsContact CA-CD2 3.44Å; G29-L285 WeakPolarHBondContact O-CD2 3.41Å; I32-L285 HydrophobicContact CB-CD2 4.36Å; I32-L285 HydrophobicContact CG2-CD2 4.36Å; F33-L285 HydrophobicContact CD2-CB 3.9Å; F33-L285 HydrophobicContact CD2-CD1 3.59Å; F33-L285 HydrophobicContact CD2-CG 4.33Å; F33-L285 HydrophobicContact CE2-CD1 4.3Å; I283-L285 PolarHBondContact O-N 2.87Å; L285-I287 PolarHBondContact O-N 2.89Å; L285-Y288 PolarHBondContact O-N 3.09Å; L285-L289 HydrophobicContact CD1-CD1 3.83Å; L285-L289 HydrophobicContact CD1-CD2 4.32Å; L285-L289 HydrophobicContact CD1-CG 3.83Å; L285-L289 HydrophobicContact CD2-CD1 4.42Å; L285-L289 HydrophobicContact CG-CD1 3.92Å; L285-L289 HydrophobicContact CG-CG 4.28Å; L285-L289 WeakPolarHBondContact O-CG 3.29Å; L285-L289 PolarHBondContact O-N 3.06Å; L285-L295 HydrophobicContact CD1-CD2 4.17Å
286F95.7Very high94.1Very high81 Ų8137.4 Ų37.436%0.35517%0.167SC..Hα-helixtrans-63.5-44.5-176.1-58.3-79.2000111.8V25 I283 N284 Y288 L289 I290V25-F286 HydrophobicContact CG1-CE2 3.73Å; V25-F286 HydrophobicContact CG1-CZ 3.6Å; I283-F286 HydrophobicContact CD1-CB 4.23Å; I283-F286 HydrophobicContact CD1-CD2 4.22Å; I283-F286 PolarHBondContact O-N 2.86Å; N284-F286 VanDerWaalsContact C-N 3.26Å; N284-F286 PolarHBondContact O-N 3.03Å; N284-F286 VanDerWaalsContact O-N 3.16Å; F286-Y288 VanDerWaalsContact C-N 3.34Å; F286-Y288 PolarHBondContact O-N 3.4Å; F286-L289 PolarHBondContact O-N 2.86Å; F286-I290 VanDerWaalsContact O-CG1 3.31Å; F286-I290 WeakPolarHBondContact O-CG1 3.47Å; F286-I290 PolarHBondContact O-N 3.14Å
287I96.5Very high93.7Very high9 Ų938.1 Ų38.15%0.04618%0.18CC..Hα-helixtrans-60.3-46.2175.3-69.3168.1000110.2M229 V232 L233 V236 I283 N284 L285 L289 I290 F291M229-I287 HydrophobicContact CG-CG2 3.7Å; V232-I287 HydrophobicContact CG1-CD1 3.96Å; V232-I287 HydrophobicContact CG1-CG1 4.29Å; V232-I287 HydrophobicContact CG1-CG2 4.36Å; L233-I287 HydrophobicContact CD2-CB 4.33Å; L233-I287 HydrophobicContact CD2-CD1 3.67Å; L233-I287 HydrophobicContact CD2-CG2 4.01Å; L233-I287 HydrophobicContact CG-CG2 4.15Å; V236-I287 HydrophobicContact CG2-CD1 4.09Å; I283-I287 HydrophobicContact CB-CD1 4.37Å; I283-I287 HydrophobicContact CG1-CD1 3.83Å; I283-I287 HydrophobicContact CG1-CG1 4.05Å; I283-I287 HydrophobicContact CG2-CD1 3.8Å; I283-I287 PolarHBondContact O-N 3.46Å; I283-I287 VanDerWaalsContact O-N 3.15Å; N284-I287 PolarHBondContact O-N 3.41Å; N284-I287 VanDerWaalsContact O-N 3.13Å; L285-I287 PolarHBondContact O-N 2.89Å; I287-L289 VanDerWaalsContact C-N 3.34Å; I287-L289 PolarHBondContact O-N 2.97Å; I287-I290 PolarHBondContact O-N 2.85Å; I287-F291 HydrophobicContact CG2-CD2 4.01Å; I287-F291 HydrophobicContact CG2-CE2 4.33Å; I287-F291 VanDerWaalsContact O-CD2 3.31Å; I287-F291 WeakPolarHBondContact O-CD2 3.45Å; I287-F291 PolarHBondContact O-N 3.03Å; I287-F291 VanDerWaalsContact O-N 3.12Å
288Y94Very high93.2Very high2 Ų239.6 Ų39.61%0.00819%0.185CC..Hα-helixtrans-64.9-36.6177.6-79.6-89000112.5F33 L50 M229 M230 L233 N284 L285 F286 C292 L295F33-Y288 AromaticContact CE2-CD2 3.8Å; F33-Y288 HydrophobicContact CE2-CD2 3.8Å; F33-Y288 AromaticContact CE2-CG 3.85Å; F33-Y288 HydrophobicContact CE2-CG 3.85Å; F33-Y288 HydrophobicContact CZ-CD1 4.28Å; F33-Y288 AromaticContact CZ-CD2 3.61Å; F33-Y288 HydrophobicContact CZ-CD2 3.61Å; F33-Y288 HydrophobicContact CZ-CE2 4.02Å; F33-Y288 AromaticContact CZ-CG 3.82Å; F33-Y288 HydrophobicContact CZ-CG 3.82Å; L50-Y288 HydrophobicContact CD1-CD1 4.49Å; L50-Y288 HydrophobicContact CD1-CE1 3.87Å; L50-Y288 HydrophobicContact CD2-CE1 3.96Å; L50-Y288 HydrophobicContact CD2-CE2 4.02Å; L50-Y288 VanDerWaalsContact CD2-CZ 3.45Å; L50-Y288 WeakPolarHBondContact CD2-OH 3.26Å; M229-Y288 HydrophobicContact CE-CD1 3.67Å; M229-Y288 HydrophobicContact CE-CE1 3.27Å; M229-Y288 HydrophobicContact SD-CD1 3.53Å; M229-Y288 VanDerWaalsContact SD-CD1 3.53Å; M229-Y288 HydrophobicContact SD-CE1 3.8Å; M229-Y288 HydrophobicContact SD-CG 4.06Å; M230-Y288 HydrophobicContact CE-CE1 4.43Å; L233-Y288 HydrophobicContact CD1-CE2 3.91Å; N284-Y288 WeakPolarHBondContact O-CD2 3.42Å; N284-Y288 PolarHBondContact O-N 2.93Å; L285-Y288 PolarHBondContact O-N 3.09Å; F286-Y288 VanDerWaalsContact C-N 3.34Å; F286-Y288 PolarHBondContact O-N 3.4Å; Y288-C292 HydrophobicContact CD1-CB 4.49Å; Y288-C292 VanDerWaalsContact O-CA 3.28Å; Y288-C292 WeakPolarHBondContact O-CA 3.37Å; Y288-C292 WeakPolarHBondContact O-CB 3.44Å; Y288-C292 PolarHBondContact O-N 2.87Å; Y288-L295 HydrophobicContact CG-CD2 4.24Å
289L94.1Very high92.9Very high29 Ų2941.4 Ų41.415%0.15219%0.193CC..Hα-helixtrans-63.9-41.4174.3-71.2175.7000111.1L285 F286 I287 F291 L295 R296 F299L285-L289 HydrophobicContact CD1-CD1 3.83Å; L285-L289 HydrophobicContact CD1-CD2 4.32Å; L285-L289 HydrophobicContact CD1-CG 3.83Å; L285-L289 HydrophobicContact CD2-CD1 4.42Å; L285-L289 HydrophobicContact CG-CD1 3.92Å; L285-L289 HydrophobicContact CG-CG 4.28Å; L285-L289 WeakPolarHBondContact O-CG 3.29Å; L285-L289 PolarHBondContact O-N 3.06Å; F286-L289 PolarHBondContact O-N 2.86Å; I287-L289 VanDerWaalsContact C-N 3.34Å; I287-L289 PolarHBondContact O-N 2.97Å; L289-F291 PolarHBondContact O-N 2.89Å; L289-L295 HydrophobicContact CD2-CD2 4.25Å; L289-L295 HydrophobicContact CD2-CG 4.24Å; L289-L295 HydrophobicContact CG-CD2 4.49Å; L289-R296 HydrophobicContact CB-CG 4.29Å; L289-R296 HydrophobicContact CD2-CG 4.03Å; L289-R296 WeakPolarHBondContact O-CD 3.15Å; L289-R296 WeakPolarHBondContact O-CG 3.2Å; L289-R296 PolarHBondContact O-NE 3.11Å; L289-F299 HydrophobicContact CD1-CD2 4.07Å; L289-F299 HydrophobicContact CD1-CE2 4.07Å; L289-F299 HydrophobicContact CD1-CG 4.43Å; L289-F299 HydrophobicContact CD1-CZ 4.45Å; L289-F299 HydrophobicContact CD2-CB 3.67Å; L289-F299 HydrophobicContact CD2-CD1 4.41Å; L289-F299 HydrophobicContact CD2-CD2 3.96Å; L289-F299 HydrophobicContact CD2-CG 3.76Å
290I94.8Very high92.4Very high113 Ų11343.8 Ų43.858%0.57920%0.199SC*.Hα-helixtrans-61.5-49.4179-68.4163.7000111.3F286 I287F286-I290 VanDerWaalsContact O-CG1 3.31Å; F286-I290 WeakPolarHBondContact O-CG1 3.47Å; F286-I290 PolarHBondContact O-N 3.14Å; I287-I290 PolarHBondContact O-N 2.85Å
291F92.9Very high91.7Very high48 Ų4849 Ų4921%0.21122%0.219CC..Hα-helixtrans-97.7-30.2-169.3-65.3-76.1000114.6V228 M229 V232 I287 L289 R293V228-F291 HydrophobicContact CB-CE1 4.35Å; V228-F291 HydrophobicContact CG1-CD1 4.29Å; V228-F291 HydrophobicContact CG1-CE1 3.61Å; V228-F291 HydrophobicContact CG1-CZ 4Å; M229-F291 HydrophobicContact CB-CB 3.58Å; M229-F291 HydrophobicContact CB-CD2 3.93Å; M229-F291 HydrophobicContact CB-CG 3.8Å; M229-F291 HydrophobicContact CG-CB 3.75Å; M229-F291 HydrophobicContact CG-CD2 3.95Å; M229-F291 HydrophobicContact CG-CG 4.14Å; M229-F291 HydrophobicContact SD-CB 3.94Å; V232-F291 HydrophobicContact CG2-CE2 4.18Å; V232-F291 HydrophobicContact CG2-CZ 4.19Å; I287-F291 HydrophobicContact CG2-CD2 4.01Å; I287-F291 HydrophobicContact CG2-CE2 4.33Å; I287-F291 VanDerWaalsContact O-CD2 3.31Å; I287-F291 WeakPolarHBondContact O-CD2 3.45Å; I287-F291 PolarHBondContact O-N 3.03Å; I287-F291 VanDerWaalsContact O-N 3.12Å; L289-F291 PolarHBondContact O-N 2.89Å; F291-R293 PolarHBondContact O-N 3.1Å
292C90.7Very high91.1Very high6 Ų650.9 Ų50.94%0.04123%0.229CC..  trans-95.497.3-175.8-1690000111.9L226 M229 Y288 R294 L295 R296L226-C292 HydrophobicContact CD2-CB 4.43Å; M229-C292 HydrophobicContact SD-CB 4.28Å; Y288-C292 HydrophobicContact CD1-CB 4.49Å; Y288-C292 VanDerWaalsContact O-CA 3.28Å; Y288-C292 WeakPolarHBondContact O-CA 3.37Å; Y288-C292 WeakPolarHBondContact O-CB 3.44Å; Y288-C292 PolarHBondContact O-N 2.87Å; C292-R294 PolarHBondContact O-N 3.03Å; C292-L295 HydrophobicContact CB-CB 4.02Å; C292-L295 PolarHBondContact O-N 2.88Å; C292-L295 VanDerWaalsContact O-N 3.13Å; C292-R296 PolarHBondContact O-N 3.31Å; C292-R296 VanDerWaalsContact O-N 3.12Å
293R88.4Confident90.3Very high133 Ų13355.9 Ų55.950%0.50225%0.25SS..Hα-helixtrans-53.2-31.8177.3-59.6-160.2172.8177.3-5.4114.1F291 A297F291-R293 PolarHBondContact O-N 3.1Å; R293-A297 PolarHBondContact O-N 3.16Å; R293-A297 VanDerWaalsContact O-N 3.09Å
294R83.7Confident89.2Confident45 Ų4559.8 Ų59.817%0.1727%0.268CS..Hα-helixtrans-79.4-37-178.9-72.8-173.1178.9141.6-0.8113.4C292 R296 A297 R298 I312 P313 L314C292-R294 PolarHBondContact O-N 3.03Å; R294-R296 VanDerWaalsContact C-N 3.25Å; R294-R296 PolarHBondContact O-N 3.08Å; R294-A297 PolarHBondContact O-N 3.31Å; R294-R298 WeakPolarHBondContact O-CG 3.33Å; R294-R298 PolarHBondContact O-N 2.89Å; R294-I312 VanDerWaalsContact CZ-CG2 3.47Å; R294-I312 VanDerWaalsContact NE-CG2 3.29Å; R294-I312 VanDerWaalsContact NH2-CG2 3.32Å; R294-P313 VanDerWaalsContact CD-O 3.28Å; R294-P313 WeakPolarHBondContact CD-O 3.49Å; R294-P313 PolarHBondContact NE-O 3.16Å; R294-P313 PolarHBondContact NH1-O 3.48Å; R294-L314 HydrophobicContact CB-CD1 3.65Å; R294-L314 HydrophobicContact CB-CG 4.25Å; R294-L314 PolarHBondContact NH1-O 3.47Å
295L88.4Confident87.5Confident0 Ų065.1 Ų65.10%030%0.304CS..Hα-helixtrans-62.9-41.9172.8-16872.3000109.3F33 L36 F37 L285 Y288 L289 C292 A297 R298 F299 L314F33-L295 HydrophobicContact CD2-CD2 3.94Å; F33-L295 HydrophobicContact CE2-CD1 4.45Å; F33-L295 HydrophobicContact CE2-CD2 3.38Å; F33-L295 HydrophobicContact CZ-CD2 4.3Å; L36-L295 HydrophobicContact CB-CD1 4.47Å; L36-L295 HydrophobicContact CD1-CD1 3.73Å; L36-L295 HydrophobicContact CD1-CG 4.19Å; F37-L295 HydrophobicContact CE2-CD1 4.23Å; F37-L295 HydrophobicContact CZ-CD1 3.84Å; L285-L295 HydrophobicContact CD1-CD2 4.17Å; Y288-L295 HydrophobicContact CG-CD2 4.24Å; L289-L295 HydrophobicContact CD2-CD2 4.25Å; L289-L295 HydrophobicContact CD2-CG 4.24Å; L289-L295 HydrophobicContact CG-CD2 4.49Å; C292-L295 HydrophobicContact CB-CB 4.02Å; C292-L295 PolarHBondContact O-N 2.88Å; C292-L295 VanDerWaalsContact O-N 3.13Å; L295-A297 VanDerWaalsContact C-N 3.35Å; L295-A297 PolarHBondContact O-N 2.92Å; L295-R298 PolarHBondContact O-N 3.27Å; L295-F299 VanDerWaalsContact O-CB 3.3Å; L295-F299 WeakPolarHBondContact O-CB 3.19Å; L295-F299 PolarHBondContact O-N 3.4Å; L295-L314 HydrophobicContact CB-CD1 4.4Å
296R90.9Very high85.7Confident102 Ų10268.8 Ų68.839%0.38533%0.327SS..Hα-helixtrans-56.1-45.6171.6-71.3-169.4-68.1171.218.6113.3L289 C292 R294 R298 F299 W300L289-R296 HydrophobicContact CB-CG 4.29Å; L289-R296 HydrophobicContact CD2-CG 4.03Å; L289-R296 WeakPolarHBondContact O-CD 3.15Å; L289-R296 WeakPolarHBondContact O-CG 3.2Å; L289-R296 PolarHBondContact O-NE 3.11Å; C292-R296 PolarHBondContact O-N 3.31Å; C292-R296 VanDerWaalsContact O-N 3.12Å; R294-R296 VanDerWaalsContact C-N 3.25Å; R294-R296 PolarHBondContact O-N 3.08Å; R296-R298 PolarHBondContact O-N 3.48Å; R296-F299 WeakPolarHBondContact O-CB 3.35Å; R296-F299 PolarHBondContact O-N 3.44Å; R296-W300 PolarHBondContact O-N 3.03Å
297A88.3Confident83.4Confident65 Ų6574.5 Ų74.554%0.53735%0.352SS..Hα-helixtrans-61.7-43.417800000111.9R293 R294 L295 Y301R293-A297 PolarHBondContact O-N 3.16Å; R293-A297 VanDerWaalsContact O-N 3.09Å; R294-A297 PolarHBondContact O-N 3.31Å; L295-A297 VanDerWaalsContact C-N 3.35Å; L295-A297 PolarHBondContact O-N 2.92Å; A297-Y301 WeakPolarHBondContact O-CB 3.03Å; A297-Y301 PolarHBondContact O-N 3.18Å
298R86.4Confident81Confident45 Ų4578.7 Ų78.717%0.1738%0.379CS..Hα-helixtrans-63.8-40174.3-69.3-176180-178.9-1.3112L36 D47 R294 L295 R296 Y301 L302L36-R298 HydrophobicContact CD2-CB 4.07Å; L36-R298 WeakPolarHBondContact CD2-O 3.3Å; D47-R298 IonicContact OD1-NH1 3.91Å; D47-R298 IonicContact OD2-CZ 3.71Å; D47-R298 IonicContact OD2-NH1 2.95Å; D47-R298 PolarHBondContact OD2-NH1 3.38Å; D47-R298 IonicContact OD2-NH2 3.48Å; D47-R298 PolarHBondContact OD2-NH2 2.94Å; R294-R298 WeakPolarHBondContact O-CG 3.33Å; R294-R298 PolarHBondContact O-N 2.89Å; L295-R298 PolarHBondContact O-N 3.27Å; R296-R298 PolarHBondContact O-N 3.48Å; R298-Y301 WeakPolarHBondContact O-CB 3.46Å; R298-Y301 PolarHBondContact O-N 3.4Å; R298-L302 PolarHBondContact O-N 3.46Å
299F89.5Confident78.8Confident44 Ų4487.3 Ų87.319%0.19342%0.42CS..Hα-helixtrans-62.3-50.7177.4-178.8-86.2000111.5I32 L36 L289 L295 R296 Y301 L302 F303I32-F299 HydrophobicContact CG2-CD2 4.01Å; I32-F299 HydrophobicContact CG2-CE2 3.97Å; L36-F299 HydrophobicContact CD1-CB 4.35Å; L36-F299 HydrophobicContact CD1-CD2 4.36Å; L36-F299 HydrophobicContact CD2-CB 4.48Å; L289-F299 HydrophobicContact CD1-CD2 4.07Å; L289-F299 HydrophobicContact CD1-CE2 4.07Å; L289-F299 HydrophobicContact CD1-CG 4.43Å; L289-F299 HydrophobicContact CD1-CZ 4.45Å; L289-F299 HydrophobicContact CD2-CB 3.67Å; L289-F299 HydrophobicContact CD2-CD1 4.41Å; L289-F299 HydrophobicContact CD2-CD2 3.96Å; L289-F299 HydrophobicContact CD2-CG 3.76Å; L295-F299 VanDerWaalsContact O-CB 3.3Å; L295-F299 WeakPolarHBondContact O-CB 3.19Å; L295-F299 PolarHBondContact O-N 3.4Å; R296-F299 WeakPolarHBondContact O-CB 3.35Å; R296-F299 PolarHBondContact O-N 3.44Å; F299-Y301 VanDerWaalsContact C-N 3.28Å; F299-Y301 PolarHBondContact O-N 2.88Å; F299-L302 WeakPolarHBondContact O-CB 3.34Å; F299-L302 PolarHBondContact O-N 3.01Å; F299-F303 HydrophobicContact CD1-CD2 4.18Å; F299-F303 HydrophobicContact CD2-CD2 4.36Å; F299-F303 AromaticContact CD2-CE2 3.98Å; F299-F303 HydrophobicContact CD2-CE2 3.98Å; F299-F303 AromaticContact CE1-CD2 3.89Å; F299-F303 HydrophobicContact CE1-CD2 3.89Å; F299-F303 HydrophobicContact CE1-CE2 4.1Å; F299-F303 HydrophobicContact CE2-CD2 4.1Å; F299-F303 AromaticContact CE2-CE2 3.51Å; F299-F303 HydrophobicContact CE2-CE2 3.51Å; F299-F303 HydrophobicContact CE2-CZ 4.48Å; F299-F303 HydrophobicContact CG-CD2 4.4Å; F299-F303 HydrophobicContact CG-CE2 4.47Å; F299-F303 AromaticContact CZ-CD2 3.85Å; F299-F303 HydrophobicContact CZ-CD2 3.85Å; F299-F303 AromaticContact CZ-CE2 3.56Å; F299-F303 HydrophobicContact CZ-CE2 3.56Å; F299-F303 HydrophobicContact CZ-CZ 4.5Å; F299-F303 WeakPolarHBondContact O-CD2 3.33Å; F299-F303 PolarHBondContact O-N 3.34Å
300W87.4Confident76.6Confident145 Ų14588.8 Ų88.855%0.54944%0.442SS..Hα-helixtrans-61.8-37.2175.5-74.3114.1000112.2R296 F303 H304R296-W300 PolarHBondContact O-N 3.03Å; W300-F303 PolarHBondContact O-N 3.34Å; W300-H304 AromaticContact CE3-CE1 3.57Å; W300-H304 AromaticContact CE3-ND1 3.52Å; W300-H304 AromaticContact CZ3-CE1 3.38Å; W300-H304 WeakPolarHBondContact CZ3-CE1 3.25Å; W300-H304 AromaticContact CZ3-ND1 3.85Å; W300-H304 AromaticContact CZ3-NE2 3.85Å; W300-H304 WeakPolarHBondContact O-CB 3.49Å; W300-H304 PolarHBondContact O-N 3.06Å
301Y82.3Confident74.2Confident114 Ų11492 Ų9245%0.44745%0.452SS..Hα-helixtrans-60.9-43.8174.9177.3-96.5000112.6A297 R298 F299 F303 C305 T306A297-Y301 WeakPolarHBondContact O-CB 3.03Å; A297-Y301 PolarHBondContact O-N 3.18Å; R298-Y301 WeakPolarHBondContact O-CB 3.46Å; R298-Y301 PolarHBondContact O-N 3.4Å; F299-Y301 VanDerWaalsContact C-N 3.28Å; F299-Y301 PolarHBondContact O-N 2.88Å; Y301-F303 VanDerWaalsContact C-N 3.28Å; Y301-F303 PolarHBondContact O-N 3.17Å; Y301-C305 PolarHBondContact O-N 3.43Å; Y301-T306 VanDerWaalsContact CD2-O 3.25Å; Y301-T306 WeakPolarHBondContact CD2-O 3.31Å; Y301-T306 WeakPolarHBondContact CE2-O 3.31Å
302L83.9Confident72.1Confident40 Ų4094 Ų9421%0.20946%0.464CS..Hα-helixtrans-59.3-38.5178.4-177.365.6000112.2I32 L36 Q39 R298 F299I32-L302 HydrophobicContact CG2-CD2 4.3Å; L36-L302 HydrophobicContact CD2-CB 3.9Å; L36-L302 HydrophobicContact CD2-CD2 3.76Å; L36-L302 HydrophobicContact CD2-CG 4.42Å; L36-L302 HydrophobicContact CG-CD2 4.31Å; Q39-L302 VanDerWaalsContact NE2-CD1 3.29Å; R298-L302 PolarHBondContact O-N 3.46Å; F299-L302 WeakPolarHBondContact O-CB 3.34Å; F299-L302 PolarHBondContact O-N 3.01Å
303F82.1Confident69.9Low110 Ų11096.2 Ų96.248%0.48248%0.478SS..Hα-helixtrans-96.1-21.3-175.2-72.2-75.3000115.2I32 F299 W300 Y301I32-F303 HydrophobicContact CD1-CZ 4.05Å; I32-F303 HydrophobicContact CG1-CZ 4.41Å; I32-F303 HydrophobicContact CG2-CE2 4.39Å; F299-F303 HydrophobicContact CD1-CD2 4.18Å; F299-F303 HydrophobicContact CD2-CD2 4.36Å; F299-F303 AromaticContact CD2-CE2 3.98Å; F299-F303 HydrophobicContact CD2-CE2 3.98Å; F299-F303 AromaticContact CE1-CD2 3.89Å; F299-F303 HydrophobicContact CE1-CD2 3.89Å; F299-F303 HydrophobicContact CE1-CE2 4.1Å; F299-F303 HydrophobicContact CE2-CD2 4.1Å; F299-F303 AromaticContact CE2-CE2 3.51Å; F299-F303 HydrophobicContact CE2-CE2 3.51Å; F299-F303 HydrophobicContact CE2-CZ 4.48Å; F299-F303 HydrophobicContact CG-CD2 4.4Å; F299-F303 HydrophobicContact CG-CE2 4.47Å; F299-F303 AromaticContact CZ-CD2 3.85Å; F299-F303 HydrophobicContact CZ-CD2 3.85Å; F299-F303 AromaticContact CZ-CE2 3.56Å; F299-F303 HydrophobicContact CZ-CE2 3.56Å; F299-F303 HydrophobicContact CZ-CZ 4.5Å; F299-F303 WeakPolarHBondContact O-CD2 3.33Å; F299-F303 PolarHBondContact O-N 3.34Å; W300-F303 PolarHBondContact O-N 3.34Å; Y301-F303 VanDerWaalsContact C-N 3.28Å; Y301-F303 PolarHBondContact O-N 3.17Å
304H73.1Confident68.1Low113 Ų11390.1 Ų90.152%0.52346%0.455SS..Hα-helixtrans-119.15-170.8-72.862.3000115.7W300 T306W300-H304 AromaticContact CE3-CE1 3.57Å; W300-H304 AromaticContact CE3-ND1 3.52Å; W300-H304 AromaticContact CZ3-CE1 3.38Å; W300-H304 WeakPolarHBondContact CZ3-CE1 3.25Å; W300-H304 AromaticContact CZ3-ND1 3.85Å; W300-H304 AromaticContact CZ3-NE2 3.85Å; W300-H304 WeakPolarHBondContact O-CB 3.49Å; W300-H304 PolarHBondContact O-N 3.06Å; H304-T306 HydrophobicContact CB-CG2 4.35Å; H304-T306 PolarHBondContact O-N 3.44Å
305C60.6Low66.6Low119 Ų11989 Ų8980%0.80445%0.452SS*.  trans46.529.4177.9-65.70000114.6Y301Y301-C305 PolarHBondContact O-N 3.43Å
306T55.9Low64.4Low82 Ų8290.9 Ų90.950%0.50346%0.464SS..PPolyproline II helixtrans-78.3135.9-179.440.20000110.1Y301 H304Y301-T306 VanDerWaalsContact CD2-O 3.25Å; Y301-T306 WeakPolarHBondContact CD2-O 3.31Å; Y301-T306 WeakPolarHBondContact CE2-O 3.31Å; H304-T306 HydrophobicContact CB-CG2 4.35Å; H304-T306 PolarHBondContact O-N 3.44Å
307K48.1Very low62.2Low201 Ų20189.4 Ų89.487%0.87446%0.46SS*.PPolyproline II helixtrans-56.3142.8-174.8-77.5-179.9177.4175.70112E309K307-E309 PolarHBondContact O-N 3.27Å
308P45.5Very low59.8Low97 Ų9795.1 Ų95.163%0.6347%0.473SS*.PPolyproline II helixtrans-70.6123.6-168.627.1-34000112.9G310P308-G310 PolarHBondContact O-N 3.39Å
309E47.7Very low57.6Low182 Ų18294.7 Ų94.785%0.8548%0.477SS*.SBendtrans-72.5106.8148-73.6-168.8167.800107.1K307K307-E309 PolarHBondContact O-N 3.27Å
310G48.8Very low55.3Low60 Ų6098.4 Ų98.462%0.61950%0.503SS*.  trans-19.4120.8-169.600000118.1P308 I312P308-G310 PolarHBondContact O-N 3.39Å; G310-I312 WeakPolarHBondContact O-CG1 3.33Å; G310-I312 PolarHBondContact O-N 3Å
311K43.2Very low53Low182 Ų182100.1 Ų100.179%0.79152%0.517SS*.  trans-6.384.5166.8-64.2-177.2179.6-1750115.4
312I48.9Very low50.8Low90 Ų90102.4 Ų102.446%0.46253%0.532SS..  trans-96119176.9-44.5-177.8000110.1R294 G310R294-I312 VanDerWaalsContact CZ-CG2 3.47Å; R294-I312 VanDerWaalsContact NE-CG2 3.29Å; R294-I312 VanDerWaalsContact NH2-CG2 3.32Å; G310-I312 WeakPolarHBondContact O-CG1 3.33Å; G310-I312 PolarHBondContact O-N 3Å
313P45.6Very low48.5Very low52 Ų52106.5 Ų106.534%0.33855%0.551SS.*  trans-65.5145.2176.224.8-32.7000111.8T44 R294 F315 P316T44-P313 HydrophobicContact CG2-CB 4.01Å; R294-P313 VanDerWaalsContact CD-O 3.28Å; R294-P313 WeakPolarHBondContact CD-O 3.49Å; R294-P313 PolarHBondContact NE-O 3.16Å; R294-P313 PolarHBondContact NH1-O 3.48Å; P313-F315 PolarHBondContact O-N 3.09Å; P313-F315 VanDerWaalsContact O-N 3.08Å; P313-P316 HydrophobicContact CG-CB 4.1Å
314L49.6Very low46.4Very low4 Ų4106.8 Ų106.82%0.02156%0.564CS.*SBendtrans-54.6-32-177.8-143.989.2000112.2F37 L50 R294 L295F37-L314 HydrophobicContact CE1-CD1 4.42Å; F37-L314 HydrophobicContact CZ-CD2 4.46Å; L50-L314 HydrophobicContact CD1-CD2 4.39Å; R294-L314 HydrophobicContact CB-CD1 3.65Å; R294-L314 HydrophobicContact CB-CG 4.25Å; R294-L314 PolarHBondContact NH1-O 3.47Å; L295-L314 HydrophobicContact CB-CD1 4.4Å
315F52Low44.8Very low23 Ų23106 Ų10610%0.10157%0.571CS.*SBendtrans-127.2104.6171.2-54.2-78.6000109.9M46 R115 L226 P313M46-F315 HydrophobicContact CB-CD2 3.83Å; M46-F315 HydrophobicContact CB-CE2 3.47Å; M46-F315 VanDerWaalsContact CB-CE2 3.47Å; M46-F315 HydrophobicContact CB-CZ 4.43Å; M46-F315 HydrophobicContact CG-CD2 4.3Å; M46-F315 HydrophobicContact CG-CE2 3.44Å; M46-F315 VanDerWaalsContact CG-CE2 3.44Å; M46-F315 HydrophobicContact CG-CZ 4.06Å; M46-F315 HydrophobicContact SD-CD2 4.41Å; M46-F315 HydrophobicContact SD-CE1 4.38Å; M46-F315 HydrophobicContact SD-CE2 3.33Å; M46-F315 WeakPolarHBondContact SD-CE2 3.46Å; M46-F315 HydrophobicContact SD-CZ 3.31Å; M46-F315 WeakPolarHBondContact SD-CZ 3.12Å; R115-F315 VanDerWaalsContact NH2-CE1 3.32Å; L226-F315 HydrophobicContact CD1-CD1 4.47Å; L226-F315 HydrophobicContact CD1-CE1 3.93Å; P313-F315 PolarHBondContact O-N 3.09Å; P313-F315 VanDerWaalsContact O-N 3.08Å
316P43.1Very low43.8Very low38 Ų38106 Ų10625%0.24756%0.563CS.*  trans-93.3115.2176.310.214.5000105.4P313 K318P313-P316 HydrophobicContact CG-CB 4.1Å; P316-K318 PolarHBondContact O-N 3Å
317F43.4Very low42.8Very low71 Ų71113.2 Ų113.231%0.31158%0.581SS.*  trans-64.489.8155.7-66.3-62.2000107.7V125 R126 S319V125-F317 HydrophobicContact CB-CE1 3.91Å; V125-F317 HydrophobicContact CB-CZ 3.8Å; V125-F317 HydrophobicContact CG1-CD1 3.54Å; V125-F317 HydrophobicContact CG1-CD2 4.46Å; V125-F317 HydrophobicContact CG1-CE1 2.98Å; V125-F317 HydrophobicContact CG1-CE2 3.95Å; V125-F317 HydrophobicContact CG1-CG 4.3Å; V125-F317 HydrophobicContact CG1-CZ 3.22Å; V125-F317 HydrophobicContact CG2-CE1 3.8Å; V125-F317 HydrophobicContact CG2-CE2 4.07Å; V125-F317 HydrophobicContact CG2-CZ 3.23Å; R126-F317 HydrophobicContact CG-CD2 3.97Å; R126-F317 HydrophobicContact CG-CG 4.17Å; R126-F317 PolarHBondContact NH2-O 3.45Å; R126-F317 VanDerWaalsContact NH2-O 3.14Å; F317-S319 PolarHBondContact O-N 3.01Å
318K38.8Very low42.4Very low185 Ų185113.4 Ų113.480%0.80458%0.576SS**  trans-67.996.7153.5-82.9-164.6172.5-165.40105P316P316-K318 PolarHBondContact O-N 3Å
319S39.5Very low42.3Very low36 Ų36112.2 Ų112.225%0.25257%0.57SS.*  trans-56.7137.1163.647.90000107.6F317 E321 Q322F317-S319 PolarHBondContact O-N 3.01Å; S319-E321 PolarHBondContact O-N 2.95Å; S319-Q322 PolarHBondContact O-N 3.23Å
320V41.4Very low42.1Very low123 Ų123108.2 Ų108.275%0.74556%0.558SS**G310 helixtrans-59-20166.5173.10000110.3Q322 M323V320-Q322 VanDerWaalsContact C-N 3.26Å; V320-Q322 PolarHBondContact O-N 3.19Å; V320-M323 PolarHBondContact O-N 3.13Å
321E38.9Very low41.7Very low181 Ų181108.3 Ų108.385%0.84655%0.549SS*.G310 helixtrans-69.5-14.7175.9-66.8-178.415200115S319S319-E321 PolarHBondContact O-N 2.95Å
322Q37.1Very low41.6Very low161 Ų161102.2 Ų102.275%0.75253%0.533SS*.G310 helixtrans-99.425.1170.6-76-171.6-15.200113.1S319 V320 P324S319-Q322 PolarHBondContact O-N 3.23Å; V320-Q322 VanDerWaalsContact C-N 3.26Å; V320-Q322 PolarHBondContact O-N 3.19Å; Q322-P324 WeakPolarHBondContact O-CD 3.3Å
323M35.4Very low41.1Very low127 Ų127106.8 Ų106.863%0.62655%0.546SS*.  trans-76.3104.2147.7-80.4178165.400107.3V320 S325V320-M323 PolarHBondContact O-N 3.13Å; M323-S325 PolarHBondContact O-N 3.25Å
324P38.3Very low40.6Very low115 Ų115114.3 Ų114.375%0.74757%0.567SS**SBendtrans-61.7140.11610.118.5000106.4Q322Q322-P324 WeakPolarHBondContact O-CD 3.3Å
325S38.8Very low40Very low96 Ų96123.7 Ų123.767%0.67160%0.602SS**SBendtrans71.460.1173.878.80000118.6M323M323-S325 PolarHBondContact O-N 3.25Å
326L39.1Very low39.3Very low119 Ų119127.8 Ų127.862%0.62363%0.633SS**SBendtrans-112.8-14.3137.3-97.3155.2000113R328 S329L326-R328 PolarHBondContact O-N 3.13Å; L326-S329 PolarHBondContact O-N 3.2Å; L326-S329 VanDerWaalsContact O-N 3.12Å
327R34.7Very low39.2Very low234 Ų234130 Ų13088%0.88365%0.649SS**Hα-helixtrans-65.6-14168.4-84.8-171.9179.3-169.10.8114.5
328R39.9Very low38.9Very low206 Ų206131.2 Ų131.278%0.77767%0.666SS**Hα-helixtrans-83.9-15.3171.5-77.7-171.4-1761751.4113.8L326 S331 A332L326-R328 PolarHBondContact O-N 3.13Å; R328-S331 PolarHBondContact O-OG 3.39Å; R328-A332 PolarHBondContact O-N 3.4Å
329S44.9Very low38.7Very low72 Ų72131.1 Ų131.150%0.50367%0.666SS.*Hα-helixtrans-83.5-25.7180-157.70000113.1L326 Y333L326-S329 PolarHBondContact O-N 3.2Å; L326-S329 VanDerWaalsContact O-N 3.12Å; S329-Y333 WeakPolarHBondContact O-CB 3.28Å; S329-Y333 PolarHBondContact O-N 3.38Å
330T41.7Very low38.5Very low97 Ų97133.8 Ų133.860%0.59569%0.69SS**Hα-helixtrans-79.3-26.7176.147.10000112.9R334T330-R334 PolarHBondContact O-N 3.3Å; T330-R334 VanDerWaalsContact O-N 3.09Å
331S42Very low38.3Very low62 Ų62133.4 Ų133.443%0.43469%0.688SS.*Hα-helixtrans-76.3-31.4170.460.70000112.9R328 R335R328-S331 PolarHBondContact O-OG 3.39Å; S331-R335 PolarHBondContact O-N 3.21Å; S331-R335 VanDerWaalsContact O-N 3.07Å
332A40.3Very low38Very low54 Ų54130.8 Ų130.845%0.44669%0.685SS.*Hα-helixtrans-69.7-40.5172.800000111.2R328 R335 C336R328-A332 PolarHBondContact O-N 3.4Å; A332-R335 PolarHBondContact O-N 3.03Å; A332-C336 PolarHBondContact O-N 3.44Å
333Y38.1Very low37.9Very low187 Ų187128.4 Ų128.473%0.73368%0.68SS**Hα-helixtrans-66.6-38.3175.7-160.1-100.8000112.5S329 R335 S337S329-Y333 WeakPolarHBondContact O-CB 3.28Å; S329-Y333 PolarHBondContact O-N 3.38Å; Y333-R335 VanDerWaalsContact C-N 3.35Å; Y333-R335 PolarHBondContact O-N 3.36Å; Y333-S337 PolarHBondContact O-N 3.44Å; Y333-S337 PolarHBondContact O-OG 3.33Å
334R36.2Very low37.7Very low209 Ų209127.6 Ų127.679%0.78969%0.687SS**Hα-helixtrans-71.2-22.3173.1-81-170.9-179.9-165.4-0.2114.5T330T330-R334 PolarHBondContact O-N 3.3Å; T330-R334 VanDerWaalsContact O-N 3.09Å
335R37.1Very low37.9Very low202 Ų202132 Ų13276%0.76269%0.691SS**Hα-helixtrans-84.2-34.6174.5-86-174.4-155.2-169.64.4113.2S331 A332 Y333S331-R335 PolarHBondContact O-N 3.21Å; S331-R335 VanDerWaalsContact O-N 3.07Å; A332-R335 PolarHBondContact O-N 3.03Å; Y333-R335 VanDerWaalsContact C-N 3.35Å; Y333-R335 PolarHBondContact O-N 3.36Å
336C37.4Very low38.2Very low109 Ų109139.5 Ų139.574%0.73672%0.715SS**Hα-helixtrans-77.8-18.7178.5-84.10000114A332 S338A332-C336 PolarHBondContact O-N 3.44Å; C336-S338 VanDerWaalsContact C-N 3.34Å
337S40Very low38.2Very low85 Ų85140.5 Ų140.559%0.59472%0.719SS**THydrogen-bonded Turntrans-82.4-7.1176.567.20000114.5Y333Y333-S337 PolarHBondContact O-N 3.44Å; Y333-S337 PolarHBondContact O-OG 3.33Å
338S37.9Very low38.4Very low96 Ų96135.6 Ų135.667%0.67171%0.711SS**THydrogen-bonded Turntrans-95.70.7-179.4-1590000114.2C336C336-S338 VanDerWaalsContact C-N 3.34Å
339F34.4Very low38.3Very low183 Ų183131.7 Ų131.780%0.80371%0.707SS**  trans-116.757.2173.7-85.3-87.7000110.2
340A35.9Very low37.9Very low91 Ų91135.2 Ų135.275%0.75272%0.719SS**  trans-10190.8156.800000106.5T342A340-T342 PolarHBondContact O-N 3.05Å
341V35.7Very low37.6Very low115 Ų115137.6 Ų137.670%0.69773%0.727SS**  trans-62.8124.5173.11730000108V343V341-V343 PolarHBondContact O-N 2.76Å
342T34.1Very low37.3Very low127 Ų127142.6 Ų142.678%0.77975%0.746SS**  trans-57.7117.817039.40000110A340A340-T342 PolarHBondContact O-N 3.05Å
343V33.4Very low37.1Very low110 Ų110148.9 Ų148.967%0.66777%0.768SS**  trans-98.299.5166.4-179.20000106.9V341 Y345V341-V343 PolarHBondContact O-N 2.76Å; V343-Y345 HydrophobicContact CG1-CD2 3.43Å; V343-Y345 VanDerWaalsContact CG1-CD2 3.43Å; V343-Y345 HydrophobicContact CG1-CE2 3.26Å; V343-Y345 HydrophobicContact CG1-CG 4.46Å
344S30.9Very low37.1Very low110 Ų110146 Ų14677%0.76977%0.771SS**  trans-90.9108.9164.348.30000107.6
345Y43.1Very low37.1Very low208 Ų208140.8 Ų140.882%0.81677%0.769SS**  trans-91.9105.6159.7-79.3-78.5000106.9V343V343-Y345 HydrophobicContact CG1-CD2 3.43Å; V343-Y345 VanDerWaalsContact CG1-CD2 3.43Å; V343-Y345 HydrophobicContact CG1-CE2 3.26Å; V343-Y345 HydrophobicContact CG1-CG 4.46Å
346E45.8Very low37.1Very low253 Ų253135.2 Ų135.2100%1.18277%0.77SS**  trans-59.30134.9-66.9178.9161.300108.8

Retrieved 346 of 346 residues in 224.7 ms (Link to these results)

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