A0A087Y875_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087Y875, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 345 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56Low74.2Confident180 Ų18073.4 Ų73.489%0.88739%0.392SS*.  0133.30-72.1-177.184.700106.7T5 I9M1-T5 HydrophobicContact CE-CG2 3.64Å; M1-I9 HydrophobicContact CE-CD1 3.38Å
2D77.9Confident75.3Confident105 Ų10571.4 Ų71.456%0.56139%0.394SS*.  trans-62.3141.3173.8-168.71.7000108.8L4 T5 L6D2-L4 PolarHBondContact O-N 3.13Å; D2-T5 WeakPolarHBondContact O-CA 3.25Å; D2-T5 WeakPolarHBondContact O-CB 3.13Å; D2-T5 PolarHBondContact O-N 3.18Å; D2-T5 PolarHBondContact O-OG1 3.31Å; D2-L6 PolarHBondContact O-N 3.49Å
3F65.7Low75.9Confident38 Ų3871.9 Ų71.917%0.16740%0.4CS..Hα-helixtrans-60.8-34.5-173.1171.5-94.8000111.4T5 L6 F7 Q249 F252 L253F3-T5 PolarHBondContact O-N 3.41Å; F3-L6 WeakPolarHBondContact O-CB 3.4Å; F3-L6 PolarHBondContact O-N 2.95Å; F3-F7 HydrophobicContact CZ-CB 4.27Å; F3-F7 PolarHBondContact O-N 3.46Å; F3-Q249 HydrophobicContact CD1-CG 4.02Å; F3-Q249 HydrophobicContact CE1-CG 4.4Å; F3-F252 HydrophobicContact CD2-CD1 4.43Å; F3-F252 HydrophobicContact CD2-CE1 4.4Å; F3-F252 HydrophobicContact CE1-CB 3.82Å; F3-F252 AromaticContact CE1-CD1 3.91Å; F3-F252 HydrophobicContact CE1-CD1 3.91Å; F3-F252 AromaticContact CE1-CG 3.9Å; F3-F252 HydrophobicContact CE1-CG 3.9Å; F3-F252 AromaticContact CE2-CD1 3.17Å; F3-F252 HydrophobicContact CE2-CD1 3.17Å; F3-F252 AromaticContact CE2-CE1 3.1Å; F3-F252 HydrophobicContact CE2-CE1 3.1Å; F3-F252 AromaticContact CE2-CG 3.95Å; F3-F252 HydrophobicContact CE2-CG 3.95Å; F3-F252 AromaticContact CE2-CZ 3.8Å; F3-F252 HydrophobicContact CE2-CZ 3.8Å; F3-F252 HydrophobicContact CZ-CB 3.6Å; F3-F252 AromaticContact CZ-CD1 2.87Å; F3-F252 HydrophobicContact CZ-CD1 2.87Å; F3-F252 AromaticContact CZ-CD2 3.76Å; F3-F252 HydrophobicContact CZ-CD2 3.76Å; F3-F252 AromaticContact CZ-CE1 3.21Å; F3-F252 HydrophobicContact CZ-CE1 3.21Å; F3-F252 HydrophobicContact CZ-CE2 4.03Å; F3-F252 AromaticContact CZ-CG 3.15Å; F3-F252 HydrophobicContact CZ-CG 3.15Å; F3-F252 AromaticContact CZ-CZ 3.7Å; F3-F252 HydrophobicContact CZ-CZ 3.7Å; F3-L253 HydrophobicContact CD1-CD2 4.09Å; F3-L253 HydrophobicContact CD1-CG 4.24Å; F3-L253 HydrophobicContact CD2-CD2 3.94Å; F3-L253 HydrophobicContact CE1-CD2 4.49Å; F3-L253 HydrophobicContact CE1-CG 4.47Å; F3-L253 HydrophobicContact CE2-CD2 4.4Å; F3-L253 HydrophobicContact CG-CD2 3.87Å
4L68.2Low76Confident61 Ų6168.9 Ų68.932%0.31938%0.384SS..Hα-helixtrans-58.1-34.6171.7-144.688.4000112.5D2 G8 L245D2-L4 PolarHBondContact O-N 3.13Å; L4-G8 PolarHBondContact O-N 3.09Å; L4-L245 HydrophobicContact CD1-CD1 3.79Å; L4-L245 HydrophobicContact CD1-CD2 4.11Å; L4-L245 HydrophobicContact CD1-CG 3.86Å; L4-L245 HydrophobicContact CD2-CD1 4.35Å; L4-L245 HydrophobicContact CD2-CD2 4Å; L4-L245 HydrophobicContact CG-CD1 4.4Å
5T78.9Confident76.3Confident65 Ų6571 Ų7140%0.39939%0.394SS..Hα-helixtrans-67.3-40.7175.3-41.10000110.7M1 D2 F3 G8 I9M1-T5 HydrophobicContact CE-CG2 3.64Å; D2-T5 WeakPolarHBondContact O-CA 3.25Å; D2-T5 WeakPolarHBondContact O-CB 3.13Å; D2-T5 PolarHBondContact O-N 3.18Å; D2-T5 PolarHBondContact O-OG1 3.31Å; F3-T5 PolarHBondContact O-N 3.41Å; T5-G8 PolarHBondContact O-N 3.23Å; T5-I9 HydrophobicContact CG2-CD1 4Å; T5-I9 WeakPolarHBondContact O-CB 3.31Å; T5-I9 WeakPolarHBondContact O-CD1 3.35Å; T5-I9 WeakPolarHBondContact O-CG1 3.24Å; T5-I9 PolarHBondContact O-N 3.03Å
6L77.3Confident76.9Confident84 Ų8471.1 Ų71.144%0.4440%0.397SS..Hα-helixtrans-66.4-43.7178.1-171.571.1000111.8D2 F3 I9 Y10D2-L6 PolarHBondContact O-N 3.49Å; F3-L6 WeakPolarHBondContact O-CB 3.4Å; F3-L6 PolarHBondContact O-N 2.95Å; L6-I9 PolarHBondContact O-N 2.92Å; L6-Y10 WeakPolarHBondContact O-CB 3.3Å; L6-Y10 PolarHBondContact O-N 2.98Å
7F71.6Confident77.1Confident55 Ų5569.5 Ų69.524%0.24139%0.391CS..Hα-helixtrans-63.3-45.2174.5177.1-106.8000111.8F3 I9 Y10 V11 V248 F252F3-F7 HydrophobicContact CZ-CB 4.27Å; F3-F7 PolarHBondContact O-N 3.46Å; F7-I9 VanDerWaalsContact C-N 3.32Å; F7-I9 PolarHBondContact O-N 2.95Å; F7-Y10 WeakPolarHBondContact O-CB 3.44Å; F7-Y10 PolarHBondContact O-N 3.07Å; F7-Y10 VanDerWaalsContact O-N 3.15Å; F7-V11 HydrophobicContact CD1-CG2 4.4Å; F7-V11 HydrophobicContact CD2-CG2 4.29Å; F7-V11 HydrophobicContact CE1-CG2 3.95Å; F7-V11 HydrophobicContact CE2-CG2 3.83Å; F7-V11 HydrophobicContact CZ-CG2 3.65Å; F7-V11 WeakPolarHBondContact O-CG2 3.31Å; F7-V11 PolarHBondContact O-N 3.16Å; F7-V248 HydrophobicContact CD1-CG1 4.41Å; F7-V248 HydrophobicContact CE1-CG1 3.85Å; F7-V248 HydrophobicContact CE2-CG1 4.35Å; F7-V248 HydrophobicContact CZ-CG1 3.81Å; F7-F252 AromaticContact CD2-CD2 3.73Å; F7-F252 HydrophobicContact CD2-CD2 3.73Å; F7-F252 AromaticContact CD2-CE2 3.7Å; F7-F252 HydrophobicContact CD2-CE2 3.7Å; F7-F252 HydrophobicContact CE2-CD2 4.31Å; F7-F252 HydrophobicContact CE2-CE2 4.48Å
8G79.6Confident77Confident37 Ų3768.4 Ų68.438%0.38138%0.383SS..Hα-helixtrans-58.7-43.2174.700000112.2L4 T5 A12L4-G8 PolarHBondContact O-N 3.09Å; T5-G8 PolarHBondContact O-N 3.23Å; G8-A12 WeakPolarHBondContact O-CB 3.37Å; G8-A12 PolarHBondContact O-N 2.92Å
9I84.8Confident77.4Confident74 Ų7471.2 Ų71.238%0.37939%0.391SS..Hα-helixtrans-61.6-46.5173.4-72.3163.9000110.5M1 T5 L6 F7 A12 V13M1-I9 HydrophobicContact CE-CD1 3.38Å; T5-I9 HydrophobicContact CG2-CD1 4Å; T5-I9 WeakPolarHBondContact O-CB 3.31Å; T5-I9 WeakPolarHBondContact O-CD1 3.35Å; T5-I9 WeakPolarHBondContact O-CG1 3.24Å; T5-I9 PolarHBondContact O-N 3.03Å; L6-I9 PolarHBondContact O-N 2.92Å; F7-I9 VanDerWaalsContact C-N 3.32Å; F7-I9 PolarHBondContact O-N 2.95Å; I9-A12 PolarHBondContact O-N 3.1Å; I9-V13 HydrophobicContact CG2-CG2 4.12Å; I9-V13 WeakPolarHBondContact O-CB 3.26Å; I9-V13 WeakPolarHBondContact O-CG2 3.34Å; I9-V13 PolarHBondContact O-N 3.49Å
10Y78Confident77.6Confident54 Ų5469.8 Ų69.821%0.21238%0.383CS..Hα-helixtrans-59-52.1179.3174.1-102.7000111.8L6 F7 A12 V13 V14 F260 F264L6-Y10 WeakPolarHBondContact O-CB 3.3Å; L6-Y10 PolarHBondContact O-N 2.98Å; F7-Y10 WeakPolarHBondContact O-CB 3.44Å; F7-Y10 PolarHBondContact O-N 3.07Å; F7-Y10 VanDerWaalsContact O-N 3.15Å; Y10-A12 VanDerWaalsContact C-N 3.34Å; Y10-A12 PolarHBondContact O-N 2.6Å; Y10-V13 PolarHBondContact O-N 2.75Å; Y10-V14 HydrophobicContact CD1-CG2 4.49Å; Y10-V14 HydrophobicContact CD2-CG2 4.29Å; Y10-V14 HydrophobicContact CE1-CG2 4.1Å; Y10-V14 HydrophobicContact CE2-CG2 3.88Å; Y10-V14 WeakPolarHBondContact O-CG2 3.3Å; Y10-V14 PolarHBondContact O-N 2.84Å; Y10-F260 HydrophobicContact CD2-CD1 4.14Å; Y10-F260 AromaticContact CD2-CE1 3.97Å; Y10-F260 HydrophobicContact CD2-CE1 3.97Å; Y10-F260 HydrophobicContact CE1-CD1 4.41Å; Y10-F260 AromaticContact CE2-CD1 3.96Å; Y10-F260 HydrophobicContact CE2-CD1 3.96Å; Y10-F260 HydrophobicContact CE2-CE1 4.26Å; Y10-F260 HydrophobicContact CG-CD1 4.44Å; Y10-F260 HydrophobicContact CG-CE1 4.14Å; Y10-F260 PolarHBondContact OH-O 3.48Å; Y10-F264 PolarHBondContact OH-N 3.32Å
11V78.4Confident77.5Confident54 Ų5469.7 Ų69.733%0.32738%0.384SS..Hα-helixtrans-60.3-45.5177.7174.20000110.6F7 V13 V14 L15F7-V11 HydrophobicContact CD1-CG2 4.4Å; F7-V11 HydrophobicContact CD2-CG2 4.29Å; F7-V11 HydrophobicContact CE1-CG2 3.95Å; F7-V11 HydrophobicContact CE2-CG2 3.83Å; F7-V11 HydrophobicContact CZ-CG2 3.65Å; F7-V11 WeakPolarHBondContact O-CG2 3.31Å; F7-V11 PolarHBondContact O-N 3.16Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V11-V13 PolarHBondContact O-N 3.28Å; V11-V14 PolarHBondContact O-N 3.45Å; V11-L15 HydrophobicContact CG1-CD1 3.78Å; V11-L15 HydrophobicContact CG1-CG 4.24Å; V11-L15 WeakPolarHBondContact O-CB 3.13Å; V11-L15 VanDerWaalsContact O-CG 3.27Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 2.85Å
12A86.8Confident78.5Confident50 Ų5065.8 Ų65.841%0.41337%0.373SS..Hα-helixtrans-61.3-41.9177.800000112.2G8 I9 Y10 T16G8-A12 WeakPolarHBondContact O-CB 3.37Å; G8-A12 PolarHBondContact O-N 2.92Å; I9-A12 PolarHBondContact O-N 3.1Å; Y10-A12 VanDerWaalsContact C-N 3.34Å; Y10-A12 PolarHBondContact O-N 2.6Å; A12-T16 WeakPolarHBondContact O-CB 3.49Å; A12-T16 PolarHBondContact O-N 2.64Å; A12-T16 PolarHBondContact O-OG1 2.91Å
13V84.1Confident78.6Confident78 Ų7866.1 Ų66.147%0.47337%0.369SS..Hα-helixtrans-63.5-48.5176.21670000110.3I9 Y10 V11 L15 T16 C17I9-V13 HydrophobicContact CG2-CG2 4.12Å; I9-V13 WeakPolarHBondContact O-CB 3.26Å; I9-V13 WeakPolarHBondContact O-CG2 3.34Å; I9-V13 PolarHBondContact O-N 3.49Å; Y10-V13 PolarHBondContact O-N 2.75Å; V11-V13 VanDerWaalsContact C-N 3.35Å; V11-V13 PolarHBondContact O-N 3.28Å; V13-L15 PolarHBondContact O-N 2.86Å; V13-T16 PolarHBondContact O-N 2.92Å; V13-C17 WeakPolarHBondContact O-CB 3.34Å; V13-C17 PolarHBondContact O-N 2.88Å; V13-C17 PolarHBondContact O-SG 3.44Å
14V76.6Confident79.1Confident29 Ų2967.3 Ų67.318%0.17637%0.373CS..Hα-helixtrans-59.1-49.5178.8170.60000110.9Y10 V11 T16 C17 M18 F267Y10-V14 HydrophobicContact CD1-CG2 4.49Å; Y10-V14 HydrophobicContact CD2-CG2 4.29Å; Y10-V14 HydrophobicContact CE1-CG2 4.1Å; Y10-V14 HydrophobicContact CE2-CG2 3.88Å; Y10-V14 WeakPolarHBondContact O-CG2 3.3Å; Y10-V14 PolarHBondContact O-N 2.84Å; V11-V14 PolarHBondContact O-N 3.45Å; V14-T16 VanDerWaalsContact C-N 3.35Å; V14-T16 PolarHBondContact O-N 3.41Å; V14-C17 WeakPolarHBondContact O-CB 3.26Å; V14-C17 PolarHBondContact O-N 3.28Å; V14-M18 WeakPolarHBondContact O-CG 3.07Å; V14-M18 PolarHBondContact O-N 3.34Å; V14-F267 HydrophobicContact CG1-CB 3.84Å; V14-F267 HydrophobicContact CG1-CD2 3.62Å; V14-F267 HydrophobicContact CG1-CG 3.99Å
15L81.4Confident78.9Confident101 Ų10168.7 Ų68.753%0.52939%0.388SS..Hα-helixtrans-63.7-40.1178.3-68.2176.5000112.1V11 V13 M18 F19V11-L15 HydrophobicContact CG1-CD1 3.78Å; V11-L15 HydrophobicContact CG1-CG 4.24Å; V11-L15 WeakPolarHBondContact O-CB 3.13Å; V11-L15 VanDerWaalsContact O-CG 3.27Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 2.85Å; V13-L15 PolarHBondContact O-N 2.86Å; L15-M18 HydrophobicContact CD2-SD 4.49Å; L15-M18 WeakPolarHBondContact O-CB 3.38Å; L15-M18 PolarHBondContact O-N 2.84Å; L15-F19 WeakPolarHBondContact O-CB 3.36Å; L15-F19 PolarHBondContact O-N 2.99Å
16T85.9Confident77.8Confident72 Ų7268.7 Ų68.744%0.44240%0.401SS..Hα-helixtrans-64.2-43.1175.3-60.20000110.7A12 V13 V14 M18 F19 L20A12-T16 WeakPolarHBondContact O-CB 3.49Å; A12-T16 PolarHBondContact O-N 2.64Å; A12-T16 PolarHBondContact O-OG1 2.91Å; V13-T16 PolarHBondContact O-N 2.92Å; V14-T16 VanDerWaalsContact C-N 3.35Å; V14-T16 PolarHBondContact O-N 3.41Å; T16-M18 PolarHBondContact O-N 3.33Å; T16-F19 PolarHBondContact O-N 3.03Å; T16-L20 HydrophobicContact CG2-CD1 3.91Å; T16-L20 HydrophobicContact CG2-CG 4.16Å; T16-L20 WeakPolarHBondContact O-CB 3.35Å; T16-L20 VanDerWaalsContact O-CG 3.23Å; T16-L20 WeakPolarHBondContact O-CG 3.35Å; T16-L20 PolarHBondContact O-N 2.87Å
17C79.9Confident77.4Confident44 Ų4470 Ų7030%0.29741%0.405SS..Hα-helixtrans-59.8-45.3174-74.40000111.4V13 V14 F19 L20 V21 F267V13-C17 WeakPolarHBondContact O-CB 3.34Å; V13-C17 PolarHBondContact O-N 2.88Å; V13-C17 PolarHBondContact O-SG 3.44Å; V14-C17 WeakPolarHBondContact O-CB 3.26Å; V14-C17 PolarHBondContact O-N 3.28Å; C17-F19 PolarHBondContact O-N 3.27Å; C17-L20 PolarHBondContact O-N 3.26Å; C17-V21 WeakPolarHBondContact O-CB 3.44Å; C17-V21 VanDerWaalsContact O-CG2 3.24Å; C17-V21 WeakPolarHBondContact O-CG2 3.41Å; C17-V21 PolarHBondContact O-N 3.15Å; C17-F267 HydrophobicContact CB-CE2 4.19Å; C17-F267 HydrophobicContact CB-CZ 4.3Å
18M75.2Confident76.7Confident50 Ų5075.9 Ų75.925%0.24643%0.433CS..Hα-helixtrans-57.4-50.4174.5-69.3-1767400111.1V14 L15 T16 L20 V21 C22 F267 F270V14-M18 WeakPolarHBondContact O-CG 3.07Å; V14-M18 PolarHBondContact O-N 3.34Å; L15-M18 HydrophobicContact CD2-SD 4.49Å; L15-M18 WeakPolarHBondContact O-CB 3.38Å; L15-M18 PolarHBondContact O-N 2.84Å; T16-M18 PolarHBondContact O-N 3.33Å; M18-L20 PolarHBondContact O-N 3.04Å; M18-V21 PolarHBondContact O-N 3.41Å; M18-C22 WeakPolarHBondContact O-CB 3.05Å; M18-C22 PolarHBondContact O-N 2.84Å; M18-C22 PolarHBondContact O-SG 3.47Å; M18-F267 HydrophobicContact CB-CE2 4.28Å; M18-F267 HydrophobicContact CG-CD2 3.28Å; M18-F267 HydrophobicContact CG-CE2 3.26Å; M18-F267 HydrophobicContact SD-CD2 3.93Å; M18-F267 HydrophobicContact SD-CE2 4.47Å; M18-F270 HydrophobicContact CE-CB 3.67Å; M18-F270 HydrophobicContact CE-CD2 4.43Å; M18-F270 HydrophobicContact CE-CG 4.23Å
19F84Confident76Confident122 Ų12281.8 Ų81.854%0.53545%0.45SS..Hα-helixtrans-60.1-47.1-179.9174.9-100.1000112.2L15 T16 C17 C22 K23L15-F19 WeakPolarHBondContact O-CB 3.36Å; L15-F19 PolarHBondContact O-N 2.99Å; T16-F19 PolarHBondContact O-N 3.03Å; C17-F19 PolarHBondContact O-N 3.27Å; F19-C22 PolarHBondContact O-N 2.86Å; F19-K23 HydrophobicContact CE1-CD 3.75Å; F19-K23 HydrophobicContact CZ-CD 3.72Å; F19-K23 VanDerWaalsContact O-CB 3.23Å; F19-K23 WeakPolarHBondContact O-CB 3.46Å; F19-K23 PolarHBondContact O-N 3.29Å
20L81.4Confident75.4Confident43 Ų4378.9 Ų78.923%0.22544%0.437CS..Hα-helixtrans-64.5-43.9180-70.3176.4000111.7T16 C17 M18 C22 K23 Y24 P31 F32T16-L20 HydrophobicContact CG2-CD1 3.91Å; T16-L20 HydrophobicContact CG2-CG 4.16Å; T16-L20 WeakPolarHBondContact O-CB 3.35Å; T16-L20 VanDerWaalsContact O-CG 3.23Å; T16-L20 WeakPolarHBondContact O-CG 3.35Å; T16-L20 PolarHBondContact O-N 2.87Å; C17-L20 PolarHBondContact O-N 3.26Å; M18-L20 PolarHBondContact O-N 3.04Å; L20-C22 VanDerWaalsContact C-N 3.35Å; L20-K23 PolarHBondContact O-N 2.82Å; L20-Y24 HydrophobicContact CD2-CD2 4.09Å; L20-Y24 HydrophobicContact CD2-CE2 3.73Å; L20-Y24 WeakPolarHBondContact O-CB 3.32Å; L20-Y24 WeakPolarHBondContact O-CD2 3.4Å; L20-Y24 PolarHBondContact O-N 2.98Å; L20-P31 HydrophobicContact CD2-CG 4.39Å; L20-F32 HydrophobicContact CB-CE2 3.96Å; L20-F32 HydrophobicContact CB-CZ 4.42Å; L20-F32 HydrophobicContact CD1-CE2 4.42Å; L20-F32 HydrophobicContact CD1-CZ 4.36Å
21V76.4Confident75.3Confident67 Ų6778.9 Ų78.941%0.40644%0.443SS..Hα-helixtrans-60.5-46.7175.9169.50000110.1C17 M18 S25C17-V21 WeakPolarHBondContact O-CB 3.44Å; C17-V21 VanDerWaalsContact O-CG2 3.24Å; C17-V21 WeakPolarHBondContact O-CG2 3.41Å; C17-V21 PolarHBondContact O-N 3.15Å; M18-V21 PolarHBondContact O-N 3.41Å; V21-S25 VanDerWaalsContact O-CB 3.24Å; V21-S25 WeakPolarHBondContact O-CB 3.47Å; V21-S25 PolarHBondContact O-N 2.93Å
22C77.3Confident75.1Confident98 Ų9880.7 Ų80.766%0.66245%0.447SS*.Hα-helixtrans-63.8-46.3178.2-71.70000112.7M18 F19 L20M18-C22 WeakPolarHBondContact O-CB 3.05Å; M18-C22 PolarHBondContact O-N 2.84Å; M18-C22 PolarHBondContact O-SG 3.47Å; F19-C22 PolarHBondContact O-N 2.86Å; L20-C22 VanDerWaalsContact C-N 3.35Å
23K79.3Confident74.5Confident112 Ų11282.6 Ų82.649%0.48745%0.45SS..Hα-helixtrans-67.5-42.8-176.1-178.5176.1-179.9178.50112.9F19 L20F19-K23 HydrophobicContact CE1-CD 3.75Å; F19-K23 HydrophobicContact CZ-CD 3.72Å; F19-K23 VanDerWaalsContact O-CB 3.23Å; F19-K23 WeakPolarHBondContact O-CB 3.46Å; F19-K23 PolarHBondContact O-N 3.29Å; L20-K23 PolarHBondContact O-N 2.82Å
24Y75.8Confident74.3Confident63 Ų6383.3 Ų83.325%0.24746%0.455CS..Hα-helixtrans-96.92.9-175.1-66-76.3000113.4L20 G26 Q27 P31L20-Y24 HydrophobicContact CD2-CD2 4.09Å; L20-Y24 HydrophobicContact CD2-CE2 3.73Å; L20-Y24 WeakPolarHBondContact O-CB 3.32Å; L20-Y24 WeakPolarHBondContact O-CD2 3.4Å; L20-Y24 PolarHBondContact O-N 2.98Å; Y24-G26 PolarHBondContact O-N 3.35Å; Y24-Q27 PolarHBondContact O-N 3.34Å; Y24-Q27 VanDerWaalsContact O-N 3.12Å; Y24-P31 HydrophobicContact CD2-CG 3.87Å; Y24-P31 HydrophobicContact CE2-CG 3.69Å; Y24-P31 HydrophobicContact CG-CG 4.43Å
25S64.8Low74.6Confident91 Ų9186.9 Ų86.964%0.63647%0.473SS*.THydrogen-bonded Turntrans-56.9113.4173.5-173.10000110.5V21V21-S25 VanDerWaalsContact O-CB 3.24Å; V21-S25 WeakPolarHBondContact O-CB 3.47Å; V21-S25 PolarHBondContact O-N 2.93Å
26G55.7Low74.6Confident65 Ų6588.4 Ų88.467%0.6748%0.477SS*.THydrogen-bonded Turntrans90.82178.200000116.3Y24Y24-G26 PolarHBondContact O-N 3.35Å
27Q68.1Low74.3Confident112 Ų11287.5 Ų87.552%0.52347%0.474SS..  trans-91.8137.4171.2-63.9-171.6-0.800111Y24 H29Y24-Q27 PolarHBondContact O-N 3.34Å; Y24-Q27 VanDerWaalsContact O-N 3.12Å; Q27-H29 VanDerWaalsContact C-N 3.3Å; Q27-H29 PolarHBondContact O-N 3.45Å
28Q57.8Low74.6Confident177 Ų17792.9 Ų92.983%0.82749%0.489SS*.SBendtrans-70.1-27.6176.3-72.9-169.7-16.500112.6N33Q28-N33 PolarHBondContact O-ND2 2.84Å
29H63.7Low74.9Confident161 Ų16193.9 Ų93.975%0.74550%0.497SS*.  trans-104.396.8174.9-66.3-36.3000110Q27Q27-H29 VanDerWaalsContact C-N 3.3Å; Q27-H29 PolarHBondContact O-N 3.45Å
30S72.4Confident74.8Confident13 Ų1391.1 Ų91.19%0.09149%0.49CS..  trans-108.9151.6170.671.30000109.7F32 N33 T34S30-F32 PolarHBondContact O-N 3.21Å; S30-F32 VanDerWaalsContact O-N 3.16Å; S30-N33 PolarHBondContact O-N 2.87Å; S30-N33 VanDerWaalsContact OG-CG 3.3Å; S30-N33 PolarHBondContact OG-N 3.46Å; S30-N33 VanDerWaalsContact OG-N 3.09Å; S30-T34 PolarHBondContact O-N 3.28Å; S30-T34 VanDerWaalsContact O-N 3.13Å; S30-T34 PolarHBondContact O-OG1 3.41Å
31P76.3Confident74.9Confident54 Ų5496.3 Ų96.335%0.35151%0.511SS..Hα-helixtrans-55.8-30172.120.1-30.7000112L20 Y24 T34 L35L20-P31 HydrophobicContact CD2-CG 4.39Å; Y24-P31 HydrophobicContact CD2-CG 3.87Å; Y24-P31 HydrophobicContact CE2-CG 3.69Å; Y24-P31 HydrophobicContact CG-CG 4.43Å; P31-T34 PolarHBondContact O-N 2.95Å; P31-L35 VanDerWaalsContact O-CB 3.32Å; P31-L35 WeakPolarHBondContact O-CB 3.36Å; P31-L35 PolarHBondContact O-N 3.01Å
32F73.9Confident75.5Confident93 Ų9396.3 Ų96.341%0.40851%0.511SS..Hα-helixtrans-63.8-42.8172.9-67.9-77.9000113L20 S30 T34 L35 H36L20-F32 HydrophobicContact CB-CE2 3.96Å; L20-F32 HydrophobicContact CB-CZ 4.42Å; L20-F32 HydrophobicContact CD1-CE2 4.42Å; L20-F32 HydrophobicContact CD1-CZ 4.36Å; S30-F32 PolarHBondContact O-N 3.21Å; S30-F32 VanDerWaalsContact O-N 3.16Å; F32-T34 VanDerWaalsContact C-N 3.33Å; F32-L35 PolarHBondContact O-N 2.81Å; F32-H36 VanDerWaalsContact O-CB 3.29Å; F32-H36 WeakPolarHBondContact O-CB 3.4Å; F32-H36 PolarHBondContact O-N 3.15Å
33N73.7Confident75.7Confident89 Ų8995.1 Ų95.148%0.47650%0.501SS..Hα-helixtrans-66.8-38.2177.4-71.5-10.2000111.2Q28 S30 S37Q28-N33 PolarHBondContact O-ND2 2.84Å; S30-N33 PolarHBondContact O-N 2.87Å; S30-N33 VanDerWaalsContact OG-CG 3.3Å; S30-N33 PolarHBondContact OG-N 3.46Å; S30-N33 VanDerWaalsContact OG-N 3.09Å; N33-S37 WeakPolarHBondContact O-CB 3.22Å; N33-S37 PolarHBondContact O-N 3.25Å
34T81.7Confident75.8Confident94 Ų9491.5 Ų91.558%0.57749%0.492SS*.Hα-helixtrans-64.5-46.8174.7-53.20000111.1S30 P31 F32 S37 Y38S30-T34 PolarHBondContact O-N 3.28Å; S30-T34 VanDerWaalsContact O-N 3.13Å; S30-T34 PolarHBondContact O-OG1 3.41Å; P31-T34 PolarHBondContact O-N 2.95Å; F32-T34 VanDerWaalsContact C-N 3.33Å; T34-S37 PolarHBondContact O-N 2.86Å; T34-Y38 WeakPolarHBondContact O-CB 3.47Å; T34-Y38 PolarHBondContact O-N 3.48Å
35L82.4Confident76.2Confident104 Ų10493.2 Ų93.255%0.54551%0.51SS..Hα-helixtrans-62.3-46.8177.3-178.264.9000111.3P31 F32 S37 Y38 V39P31-L35 VanDerWaalsContact O-CB 3.32Å; P31-L35 WeakPolarHBondContact O-CB 3.36Å; P31-L35 PolarHBondContact O-N 3.01Å; F32-L35 PolarHBondContact O-N 2.81Å; L35-S37 PolarHBondContact O-N 3.13Å; L35-Y38 PolarHBondContact O-N 3.49Å; L35-V39 HydrophobicContact CD1-CG2 4.21Å; L35-V39 HydrophobicContact CG-CG2 4.36Å; L35-V39 WeakPolarHBondContact O-CB 3.47Å; L35-V39 VanDerWaalsContact O-CG2 3.31Å; L35-V39 WeakPolarHBondContact O-CG2 3.28Å; L35-V39 PolarHBondContact O-N 2.99Å
36H79.9Confident77.4Confident132 Ų13297.1 Ų97.161%0.61152%0.517SS*.Hα-helixtrans-58-48.3175.6178.2-85.5000110.8F32 Y38 V39 T40F32-H36 VanDerWaalsContact O-CB 3.29Å; F32-H36 WeakPolarHBondContact O-CB 3.4Å; F32-H36 PolarHBondContact O-N 3.15Å; H36-Y38 VanDerWaalsContact C-N 3.31Å; H36-Y38 PolarHBondContact O-N 3.36Å; H36-V39 PolarHBondContact O-N 3.36Å; H36-T40 PolarHBondContact CE1-OG1 3.33Å; H36-T40 WeakPolarHBondContact O-CB 3.1Å; H36-T40 PolarHBondContact O-N 3.46Å; H36-T40 PolarHBondContact O-OG1 3.04Å
37S80.6Confident78.7Confident54 Ų5496 Ų9638%0.37850%0.497SS..Hα-helixtrans-59.1-42.7177.2-175.30000112.1N33 T34 L35 T40 K41N33-S37 WeakPolarHBondContact O-CB 3.22Å; N33-S37 PolarHBondContact O-N 3.25Å; T34-S37 PolarHBondContact O-N 2.86Å; L35-S37 PolarHBondContact O-N 3.13Å; S37-T40 PolarHBondContact O-N 3.08Å; S37-K41 WeakPolarHBondContact O-CB 3.4Å; S37-K41 VanDerWaalsContact O-CG 3.31Å; S37-K41 WeakPolarHBondContact O-CG 3.42Å; S37-K41 PolarHBondContact O-N 3.01Å
38Y86.3Confident79.7Confident157 Ų15793.7 Ų93.762%0.61649%0.491SS*.Hα-helixtrans-63.6-51.6177-176.4-97.1000112T34 L35 H36 T40 K41 V42T34-Y38 WeakPolarHBondContact O-CB 3.47Å; T34-Y38 PolarHBondContact O-N 3.48Å; L35-Y38 PolarHBondContact O-N 3.49Å; H36-Y38 VanDerWaalsContact C-N 3.31Å; H36-Y38 PolarHBondContact O-N 3.36Å; Y38-T40 VanDerWaalsContact C-N 3.29Å; Y38-T40 PolarHBondContact O-N 2.94Å; Y38-K41 WeakPolarHBondContact O-CB 3.38Å; Y38-K41 PolarHBondContact O-N 2.68Å; Y38-K41 VanDerWaalsContact O-N 3.1Å; Y38-V42 HydrophobicContact CD1-CG2 4.21Å; Y38-V42 HydrophobicContact CE1-CG2 3.82Å; Y38-V42 HydrophobicContact CE2-CG2 4.36Å; Y38-V42 WeakPolarHBondContact O-CG2 3.44Å; Y38-V42 PolarHBondContact O-N 3.47Å
39V82.3Confident81.1Confident70 Ų7091.5 Ų91.542%0.42448%0.481SS..Hα-helixtrans-57.9-43.9177171.70000110.7L35 H36 K41 V42 V43L35-V39 HydrophobicContact CD1-CG2 4.21Å; L35-V39 HydrophobicContact CG-CG2 4.36Å; L35-V39 WeakPolarHBondContact O-CB 3.47Å; L35-V39 VanDerWaalsContact O-CG2 3.31Å; L35-V39 WeakPolarHBondContact O-CG2 3.28Å; L35-V39 PolarHBondContact O-N 2.99Å; H36-V39 PolarHBondContact O-N 3.36Å; V39-K41 VanDerWaalsContact C-N 3.32Å; V39-K41 PolarHBondContact O-N 3.16Å; V39-V42 PolarHBondContact O-N 2.97Å; V39-V43 HydrophobicContact CG1-CG2 3.99Å; V39-V43 WeakPolarHBondContact O-CB 3.38Å; V39-V43 VanDerWaalsContact O-CG2 3.3Å; V39-V43 WeakPolarHBondContact O-CG2 3.21Å; V39-V43 PolarHBondContact O-N 3.49Å
40T80.9Confident82.2Confident64 Ų6492.1 Ų92.139%0.39348%0.477SS..Hα-helixtrans-62.4-41.6178.2-40.70000110.8H36 S37 Y38 V42 A44H36-T40 PolarHBondContact CE1-OG1 3.33Å; H36-T40 WeakPolarHBondContact O-CB 3.1Å; H36-T40 PolarHBondContact O-N 3.46Å; H36-T40 PolarHBondContact O-OG1 3.04Å; S37-T40 PolarHBondContact O-N 3.08Å; Y38-T40 VanDerWaalsContact C-N 3.29Å; Y38-T40 PolarHBondContact O-N 2.94Å; T40-V42 VanDerWaalsContact C-N 3.34Å; T40-V42 PolarHBondContact O-N 3.15Å; T40-A44 WeakPolarHBondContact O-CA 3.32Å; T40-A44 WeakPolarHBondContact O-CB 3.38Å; T40-A44 PolarHBondContact O-N 3.41Å
41K84.4Confident82.9Confident153 Ų15394.9 Ų94.967%0.66549%0.49SS*.Hα-helixtrans-64-36.7176.2-76.7176-178.9-177.70113S37 Y38 V39 P45S37-K41 WeakPolarHBondContact O-CB 3.4Å; S37-K41 VanDerWaalsContact O-CG 3.31Å; S37-K41 WeakPolarHBondContact O-CG 3.42Å; S37-K41 PolarHBondContact O-N 3.01Å; Y38-K41 WeakPolarHBondContact O-CB 3.38Å; Y38-K41 PolarHBondContact O-N 2.68Å; Y38-K41 VanDerWaalsContact O-N 3.1Å; V39-K41 VanDerWaalsContact C-N 3.32Å; V39-K41 PolarHBondContact O-N 3.16Å; K41-P45 WeakPolarHBondContact O-CD 3.44Å; K41-P45 WeakPolarHBondContact O-CG 3.43Å
42V87.8Confident83.2Confident67 Ų6795.1 Ų95.141%0.40649%0.487SS..Hα-helixtrans-77.3-39.4-179.6174.40000111.6Y38 V39 T40 P45 F46Y38-V42 HydrophobicContact CD1-CG2 4.21Å; Y38-V42 HydrophobicContact CE1-CG2 3.82Å; Y38-V42 HydrophobicContact CE2-CG2 4.36Å; Y38-V42 WeakPolarHBondContact O-CG2 3.44Å; Y38-V42 PolarHBondContact O-N 3.47Å; V39-V42 PolarHBondContact O-N 2.97Å; T40-V42 VanDerWaalsContact C-N 3.34Å; T40-V42 PolarHBondContact O-N 3.15Å; V42-P45 WeakPolarHBondContact O-CD 3.35Å; V42-F46 WeakPolarHBondContact O-CD2 3.35Å; V42-F46 VanDerWaalsContact O-CE2 3.25Å; V42-F46 WeakPolarHBondContact O-CE2 3.49Å
43V82.6Confident83.7Confident72 Ų7299.2 Ų99.244%0.43650%0.499SS..Hα-helixtrans-88.9-29.1-173.6178.10000112.6V39 P45 F46 T47V39-V43 HydrophobicContact CG1-CG2 3.99Å; V39-V43 WeakPolarHBondContact O-CB 3.38Å; V39-V43 VanDerWaalsContact O-CG2 3.3Å; V39-V43 WeakPolarHBondContact O-CG2 3.21Å; V39-V43 PolarHBondContact O-N 3.49Å; V43-P45 VanDerWaalsContact C-CD 3.46Å; V43-F46 PolarHBondContact O-N 2.83Å; V43-F46 VanDerWaalsContact O-N 3.13Å; V43-T47 HydrophobicContact CG1-CG2 4.05Å; V43-T47 PolarHBondContact O-N 2.92Å; V43-T47 PolarHBondContact O-OG1 2.64Å
44A80.9Confident84.3Confident37 Ų3799.9 Ų99.931%0.30650%0.498SS..G310 helixtrans-57.9-38.5-179.200000114.5T40 F46 T47 Q52T40-A44 WeakPolarHBondContact O-CA 3.32Å; T40-A44 WeakPolarHBondContact O-CB 3.38Å; T40-A44 PolarHBondContact O-N 3.41Å; A44-F46 PolarHBondContact O-N 3.48Å; A44-T47 WeakPolarHBondContact CA-OG1 3.31Å; A44-T47 PolarHBondContact O-N 3.14Å; A44-T47 PolarHBondContact O-OG1 2.87Å; A44-Q52 PolarHBondContact O-NE2 2.93Å
45P85.3Confident84.4Confident98 Ų9898.1 Ų98.164%0.63649%0.49SS*.G310 helixtrans-63.4-29.1176.8-23.634.2000113.9K41 V42 V43K41-P45 WeakPolarHBondContact O-CD 3.44Å; K41-P45 WeakPolarHBondContact O-CG 3.43Å; V42-P45 WeakPolarHBondContact O-CD 3.35Å; V43-P45 VanDerWaalsContact C-CD 3.46Å
46F88.8Confident84.3Confident174 Ų17499.8 Ų99.876%0.76350%0.495SS*.G310 helixtrans-95-7.2-176.4-56.7-76.6000113.5V42 V43 A44V42-F46 WeakPolarHBondContact O-CD2 3.35Å; V42-F46 VanDerWaalsContact O-CE2 3.25Å; V42-F46 WeakPolarHBondContact O-CE2 3.49Å; V43-F46 PolarHBondContact O-N 2.83Å; V43-F46 VanDerWaalsContact O-N 3.13Å; A44-F46 PolarHBondContact O-N 3.48Å
47T82.4Confident84.4Confident42 Ų4299.7 Ų99.726%0.25849%0.489SS..SBendtrans-99.5125.6-179.730.60000110.5V43 A44 Q49 L51 Q52V43-T47 HydrophobicContact CG1-CG2 4.05Å; V43-T47 PolarHBondContact O-N 2.92Å; V43-T47 PolarHBondContact O-OG1 2.64Å; A44-T47 WeakPolarHBondContact CA-OG1 3.31Å; A44-T47 PolarHBondContact O-N 3.14Å; A44-T47 PolarHBondContact O-OG1 2.87Å; T47-Q49 PolarHBondContact O-N 2.96Å; T47-L51 HydrophobicContact CG2-CD2 4.49Å; T47-Q52 PolarHBondContact O-NE2 3.46Å; T47-Q52 PolarHBondContact OG1-NE2 3.13Å
48P90.6Very high84.4Confident62 Ų62100 Ų10040%0.40349%0.485SS..  trans-55139.9177.4-26.233.8000112.2W50 L51 Q52P48-W50 VanDerWaalsContact CB-CD1 3.46Å; P48-W50 HydrophobicContact CB-CG 4.3Å; P48-W50 VanDerWaalsContact CB-NE1 3.32Å; P48-W50 PolarHBondContact O-N 3.36Å; P48-W50 VanDerWaalsContact O-N 3.16Å; P48-L51 HydrophobicContact CB-CB 4.37Å; P48-L51 WeakPolarHBondContact O-CB 3.48Å; P48-L51 PolarHBondContact O-N 2.92Å; P48-Q52 PolarHBondContact O-N 3.48Å; P48-Q52 VanDerWaalsContact O-N 3.09Å
49Q85.6Confident84Confident132 Ų13295.7 Ų95.762%0.61748%0.475SS*.Hα-helixtrans-57.4-34.5-177.9-70.2-172.80.100113.1T47 L51 Q52 R53T47-Q49 PolarHBondContact O-N 2.96Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 2.99Å; Q49-Q52 PolarHBondContact O-N 3.28Å; Q49-R53 WeakPolarHBondContact O-CG 3.44Å; Q49-R53 PolarHBondContact O-N 3.28Å
50W88.3Confident83.7Confident174 Ų17496.5 Ų96.566%0.65948%0.475SS*.Hα-helixtrans-64.3-38.8176.871.3-97.7000111.5P48 R53 F54P48-W50 VanDerWaalsContact CB-CD1 3.46Å; P48-W50 HydrophobicContact CB-CG 4.3Å; P48-W50 VanDerWaalsContact CB-NE1 3.32Å; P48-W50 PolarHBondContact O-N 3.36Å; P48-W50 VanDerWaalsContact O-N 3.16Å; W50-R53 PolarHBondContact O-N 3.31Å; W50-F54 VanDerWaalsContact O-CB 3.26Å; W50-F54 WeakPolarHBondContact O-CB 3.28Å; W50-F54 PolarHBondContact O-N 3.23Å
51L86.7Confident83.5Confident70 Ų7099.3 Ų99.337%0.36648%0.478SS..Hα-helixtrans-70.4-38.2178.9-172.965.4000111.1T47 P48 Q49 F54 S55T47-L51 HydrophobicContact CG2-CD2 4.49Å; P48-L51 HydrophobicContact CB-CB 4.37Å; P48-L51 WeakPolarHBondContact O-CB 3.48Å; P48-L51 PolarHBondContact O-N 2.92Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 2.99Å; L51-F54 PolarHBondContact O-N 2.86Å; L51-S55 WeakPolarHBondContact O-CB 3.19Å; L51-S55 PolarHBondContact O-N 3.46Å; L51-S55 PolarHBondContact O-OG 3.38Å
52Q82.6Confident83Confident60 Ų6093.6 Ų93.628%0.2846%0.455SS..Hα-helixtrans-64.1-44.1173.8-67.7178.2-1.600112.4A44 T47 P48 Q49 F54 S55 H56A44-Q52 PolarHBondContact O-NE2 2.93Å; T47-Q52 PolarHBondContact O-NE2 3.46Å; T47-Q52 PolarHBondContact OG1-NE2 3.13Å; P48-Q52 PolarHBondContact O-N 3.48Å; P48-Q52 VanDerWaalsContact O-N 3.09Å; Q49-Q52 PolarHBondContact O-N 3.28Å; Q52-F54 VanDerWaalsContact C-N 3.34Å; Q52-S55 PolarHBondContact O-N 3.32Å; Q52-S55 PolarHBondContact O-OG 3.38Å; Q52-H56 WeakPolarHBondContact O-CB 3.33Å; Q52-H56 PolarHBondContact O-N 3.3Å
53R84.7Confident82.2Confident178 Ų17894.4 Ų94.467%0.67245%0.453SS*.Hα-helixtrans-64.9-41.9176.8-71.4177.6-169.91746.3111.1Q49 W50 W57Q49-R53 WeakPolarHBondContact O-CG 3.44Å; Q49-R53 PolarHBondContact O-N 3.28Å; W50-R53 PolarHBondContact O-N 3.31Å; R53-W57 VanDerWaalsContact O-CB 3.28Å; R53-W57 WeakPolarHBondContact O-CB 3.37Å; R53-W57 PolarHBondContact O-N 3.17Å
54F86.6Confident81.5Confident103 Ų10394.1 Ų94.145%0.45245%0.446SS..Hα-helixtrans-65-44.9177.6-175.9-110.9000112.1W50 L51 Q52 W57 I58W50-F54 VanDerWaalsContact O-CB 3.26Å; W50-F54 WeakPolarHBondContact O-CB 3.28Å; W50-F54 PolarHBondContact O-N 3.23Å; L51-F54 PolarHBondContact O-N 2.86Å; Q52-F54 VanDerWaalsContact C-N 3.34Å; F54-W57 HydrophobicContact CD2-CE3 4.36Å; F54-W57 HydrophobicContact CE2-CE3 4.33Å; F54-W57 HydrophobicContact CE2-CZ3 4.23Å; F54-W57 PolarHBondContact O-N 3.45Å; F54-I58 HydrophobicContact CD1-CD1 3.79Å; F54-I58 HydrophobicContact CE1-CD1 3.23Å; F54-I58 HydrophobicContact CE1-CG1 4.24Å; F54-I58 HydrophobicContact CE2-CD1 4.07Å; F54-I58 HydrophobicContact CE2-CG1 4.35Å; F54-I58 HydrophobicContact CG-CD1 4.42Å; F54-I58 HydrophobicContact CZ-CD1 3.41Å; F54-I58 VanDerWaalsContact CZ-CD1 3.41Å; F54-I58 HydrophobicContact CZ-CG1 4.17Å; F54-I58 WeakPolarHBondContact O-CG1 3.38Å; F54-I58 PolarHBondContact O-N 3.03Å
55S82.7Confident81Confident57 Ų5796.6 Ų96.640%0.39945%0.452SS..Hα-helixtrans-63.3-45.1177.273.30000111.4L51 Q52 W57 I58 V59L51-S55 WeakPolarHBondContact O-CB 3.19Å; L51-S55 PolarHBondContact O-N 3.46Å; L51-S55 PolarHBondContact O-OG 3.38Å; Q52-S55 PolarHBondContact O-N 3.32Å; Q52-S55 PolarHBondContact O-OG 3.38Å; S55-W57 VanDerWaalsContact C-N 3.32Å; S55-W57 PolarHBondContact O-N 3.16Å; S55-I58 PolarHBondContact O-N 3.09Å; S55-V59 WeakPolarHBondContact O-CB 3.49Å; S55-V59 VanDerWaalsContact O-CG2 3.3Å; S55-V59 WeakPolarHBondContact O-CG2 3.42Å; S55-V59 PolarHBondContact O-N 3.21Å
56H80.7Confident80.4Confident140 Ų14096.8 Ų96.865%0.64844%0.44SS*.Hα-helixtrans-59.4-43.3174.1-99.1-72.2000112.1Q52 V59 H60Q52-H56 WeakPolarHBondContact O-CB 3.33Å; Q52-H56 PolarHBondContact O-N 3.3Å; H56-V59 PolarHBondContact O-N 3.31Å; H56-H60 WeakPolarHBondContact O-CB 3.32Å; H56-H60 PolarHBondContact O-N 3.18Å
57W81.8Confident79.9Confident130 Ų13090 Ų9049%0.49241%0.414SS..Hα-helixtrans-64.4-43.9177.917786.5000112R53 F54 S55 H60 R61R53-W57 VanDerWaalsContact O-CB 3.28Å; R53-W57 WeakPolarHBondContact O-CB 3.37Å; R53-W57 PolarHBondContact O-N 3.17Å; F54-W57 HydrophobicContact CD2-CE3 4.36Å; F54-W57 HydrophobicContact CE2-CE3 4.33Å; F54-W57 HydrophobicContact CE2-CZ3 4.23Å; F54-W57 PolarHBondContact O-N 3.45Å; S55-W57 VanDerWaalsContact C-N 3.32Å; S55-W57 PolarHBondContact O-N 3.16Å; W57-H60 PolarHBondContact O-N 3.47Å; W57-R61 VanDerWaalsContact O-CB 3.23Å; W57-R61 WeakPolarHBondContact O-CB 3.31Å; W57-R61 PolarHBondContact O-N 3.46Å
58I81.3Confident79.9Confident59 Ų5991.2 Ų91.230%0.30342%0.424SS..Hα-helixtrans-60.8-51.7175.1-74.7-178.7000110.6F54 S55 H60 R61 L62F54-I58 HydrophobicContact CD1-CD1 3.79Å; F54-I58 HydrophobicContact CE1-CD1 3.23Å; F54-I58 HydrophobicContact CE1-CG1 4.24Å; F54-I58 HydrophobicContact CE2-CD1 4.07Å; F54-I58 HydrophobicContact CE2-CG1 4.35Å; F54-I58 HydrophobicContact CG-CD1 4.42Å; F54-I58 HydrophobicContact CZ-CD1 3.41Å; F54-I58 VanDerWaalsContact CZ-CD1 3.41Å; F54-I58 HydrophobicContact CZ-CG1 4.17Å; F54-I58 WeakPolarHBondContact O-CG1 3.38Å; F54-I58 PolarHBondContact O-N 3.03Å; S55-I58 PolarHBondContact O-N 3.09Å; I58-H60 VanDerWaalsContact C-N 3.29Å; I58-H60 PolarHBondContact O-N 3.4Å; I58-R61 PolarHBondContact O-N 3.46Å; I58-R61 VanDerWaalsContact O-N 3.14Å; I58-L62 HydrophobicContact CG2-CD1 3.55Å; I58-L62 HydrophobicContact CG2-CG 4.13Å; I58-L62 WeakPolarHBondContact O-CB 3.44Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.2Å
59V78.1Confident79.7Confident67 Ų6792.4 Ų92.441%0.40643%0.427SS..Hα-helixtrans-60.8-42-178.6169.80000110.5S55 H56 F63 H64S55-V59 WeakPolarHBondContact O-CB 3.49Å; S55-V59 VanDerWaalsContact O-CG2 3.3Å; S55-V59 WeakPolarHBondContact O-CG2 3.42Å; S55-V59 PolarHBondContact O-N 3.21Å; H56-V59 PolarHBondContact O-N 3.31Å; V59-F63 HydrophobicContact CG1-CD2 4.02Å; V59-F63 WeakPolarHBondContact O-CB 3.44Å; V59-F63 WeakPolarHBondContact O-CD2 3.39Å; V59-F63 PolarHBondContact O-N 3.41Å; V59-H64 PolarHBondContact O-ND1 3.35Å
60H75.4Confident79.7Confident88 Ų8887 Ų8741%0.40740%0.401SS..Hα-helixtrans-64.6-44.9175.3-172.3-89.6000111.4H56 W57 I58 L62 H64 Q65H56-H60 WeakPolarHBondContact O-CB 3.32Å; H56-H60 PolarHBondContact O-N 3.18Å; W57-H60 PolarHBondContact O-N 3.47Å; I58-H60 VanDerWaalsContact C-N 3.29Å; I58-H60 PolarHBondContact O-N 3.4Å; H60-L62 PolarHBondContact O-N 2.96Å; H60-H64 CarbonylContact O-C 3.59Å; H60-H64 VanDerWaalsContact O-CA 3.25Å; H60-H64 WeakPolarHBondContact O-CA 2.96Å; H60-H64 WeakPolarHBondContact O-CB 3.4Å; H60-H64 PolarHBondContact O-N 3.1Å; H60-Q65 PolarHBondContact O-N 2.98Å
61R76.3Confident79.8Confident122 Ų12279.6 Ų79.646%0.4637%0.374SS..Hα-helixtrans-67.7-35.9-179.5-169.1173-176.6-170.7-0.9113.1W57 I58 Q65W57-R61 VanDerWaalsContact O-CB 3.23Å; W57-R61 WeakPolarHBondContact O-CB 3.31Å; W57-R61 PolarHBondContact O-N 3.46Å; I58-R61 PolarHBondContact O-N 3.46Å; I58-R61 VanDerWaalsContact O-N 3.14Å; R61-Q65 VanDerWaalsContact O-O 3.12Å
62L73.7Confident80Confident34 Ų3483.9 Ų83.918%0.17839%0.387CS..Hα-helixtrans-79.9-44-178.7-71.6179.3000112.9I58 H60 L69 L73 N185I58-L62 HydrophobicContact CG2-CD1 3.55Å; I58-L62 HydrophobicContact CG2-CG 4.13Å; I58-L62 WeakPolarHBondContact O-CB 3.44Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.2Å; H60-L62 PolarHBondContact O-N 2.96Å; L62-L69 HydrophobicContact CD2-CD2 3.66Å; L62-L69 HydrophobicContact CD2-CG 4.16Å; L62-L73 HydrophobicContact CD2-CD1 3.83Å; L62-N185 PolarHBondContact O-ND2 3.33Å; L62-N185 VanDerWaalsContact O-ND2 3.14Å
63F70.3Confident80.3Confident83 Ų8384.8 Ų84.836%0.36439%0.393SS..Hα-helixtrans-104.3-20-171.2-63-77.4000114.3V59V59-F63 HydrophobicContact CG1-CD2 4.02Å; V59-F63 WeakPolarHBondContact O-CB 3.44Å; V59-F63 WeakPolarHBondContact O-CD2 3.39Å; V59-F63 PolarHBondContact O-N 3.41Å
64H69.6Low80.6Confident66 Ų6678.1 Ų78.131%0.30637%0.37SS..THydrogen-bonded Turntrans-118.9-10-171.3-60.679.8000113.4V59 H60 V169V59-H64 PolarHBondContact O-ND1 3.35Å; H60-H64 CarbonylContact O-C 3.59Å; H60-H64 VanDerWaalsContact O-CA 3.25Å; H60-H64 WeakPolarHBondContact O-CA 2.96Å; H60-H64 WeakPolarHBondContact O-CB 3.4Å; H60-H64 PolarHBondContact O-N 3.1Å; H64-V169 HydrophobicContact CB-CG1 3.71Å; H64-V169 WeakPolarHBondContact O-CG1 3.45Å
65Q69.8Low80.9Confident89 Ų8977.1 Ų77.142%0.41637%0.368SS..SBendtrans-121138.1172.8-66.5-175.4-17.400110.7H60 R61 S67 N185H60-Q65 PolarHBondContact O-N 2.98Å; R61-Q65 VanDerWaalsContact O-O 3.12Å; Q65-S67 PolarHBondContact O-N 3.41Å; Q65-S67 VanDerWaalsContact O-N 3.09Å; Q65-N185 VanDerWaalsContact C-OD1 3.3Å; Q65-N185 PolarHBondContact O-ND2 2.8Å; Q65-N185 PolarHBondContact O-OD1 2.59Å; Q65-N185 VanDerWaalsContact O-OD1 3.05Å
66R73.3Confident81.4Confident102 Ų10280.3 Ų80.339%0.38538%0.38SS..  trans-59.9116.7173.6-81.7-169.5172.4-166.8-13.3109.7T123 N185 N186R66-T123 PolarHBondContact NH2-O 3.38Å; R66-N185 WeakPolarHBondContact CG-O 3.14Å; R66-N186 PolarHBondContact NE-OD1 2.84Å; R66-N186 PolarHBondContact NH2-ND2 2.97Å; R66-N186 PolarHBondContact NH2-OD1 3.33Å
67S77.6Confident82Confident33 Ų3378.9 Ų78.923%0.23138%0.377CS..  trans-137.5134.5176.7-178.20000110.1Q65 L69 F70 N185Q65-S67 PolarHBondContact O-N 3.41Å; Q65-S67 VanDerWaalsContact O-N 3.09Å; S67-L69 PolarHBondContact O-N 2.98Å; S67-L69 VanDerWaalsContact OG-CB 3.26Å; S67-L69 WeakPolarHBondContact OG-CB 3.19Å; S67-L69 PolarHBondContact OG-N 2.98Å; S67-F70 WeakPolarHBondContact O-CB 3.47Å; S67-F70 PolarHBondContact O-N 3.34Å; S67-F70 VanDerWaalsContact O-N 3.16Å; S67-N185 PolarHBondContact N-ND2 3.44Å
68S82.9Confident82.5Confident66 Ų6673.6 Ų73.646%0.46236%0.357SS..Hα-helixtrans-61.3-26171.2-57.90000111.6F70 I71 Y72S68-F70 PolarHBondContact O-N 2.84Å; S68-I71 WeakPolarHBondContact O-CB 3.39Å; S68-I71 PolarHBondContact O-N 3.43Å; S68-Y72 WeakPolarHBondContact O-CD2 3.19Å; S68-Y72 PolarHBondContact O-N 2.83Å
69L86.3Confident83.1Confident88 Ų8872.8 Ų72.846%0.46136%0.363SS..Hα-helixtrans-54.3-37.4174.6-177.360.4000112.1L62 S67 I71 Y72 L73L62-L69 HydrophobicContact CD2-CD2 3.66Å; L62-L69 HydrophobicContact CD2-CG 4.16Å; S67-L69 PolarHBondContact O-N 2.98Å; S67-L69 VanDerWaalsContact OG-CB 3.26Å; S67-L69 WeakPolarHBondContact OG-CB 3.19Å; S67-L69 PolarHBondContact OG-N 2.98Å; L69-I71 VanDerWaalsContact C-N 3.27Å; L69-I71 PolarHBondContact O-N 3.5Å; L69-Y72 PolarHBondContact O-N 2.79Å; L69-L73 HydrophobicContact CD1-CD1 4.31Å; L69-L73 HydrophobicContact CD1-CG 4.13Å; L69-L73 HydrophobicContact CD2-CD1 4.41Å; L69-L73 HydrophobicContact CG-CD1 3.87Å; L69-L73 HydrophobicContact CG-CG 4.17Å; L69-L73 WeakPolarHBondContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-L73 PolarHBondContact O-N 3.42Å
70F86.3Confident83.8Confident19 Ų1972 Ų728%0.08336%0.364CS..Hα-helixtrans-60.2-38.4178.2-177.7-92.5000112.1S67 S68 H74 F117 I121 V182 W183 N185S67-F70 WeakPolarHBondContact O-CB 3.47Å; S67-F70 PolarHBondContact O-N 3.34Å; S67-F70 VanDerWaalsContact O-N 3.16Å; S68-F70 PolarHBondContact O-N 2.84Å; F70-H74 WeakPolarHBondContact O-CB 3.13Å; F70-H74 PolarHBondContact O-N 2.88Å; F70-F117 HydrophobicContact CD1-CZ 4.34Å; F70-F117 HydrophobicContact CE1-CE2 4.22Å; F70-F117 AromaticContact CE1-CZ 3.84Å; F70-F117 HydrophobicContact CE1-CZ 3.84Å; F70-I121 HydrophobicContact CD1-CD1 3.88Å; F70-I121 HydrophobicContact CE1-CD1 3.95Å; F70-V182 WeakPolarHBondContact CZ-O 3.35Å; F70-W183 WeakPolarHBondContact CE1-O 3.33Å; F70-W183 WeakPolarHBondContact CZ-O 3.28Å; F70-N185 HydrophobicContact CB-CB 4.33Å; F70-N185 HydrophobicContact CD1-CB 3.69Å; F70-N185 HydrophobicContact CD2-CB 4.1Å; F70-N185 HydrophobicContact CE1-CB 3.97Å; F70-N185 HydrophobicContact CE2-CB 4.35Å; F70-N185 HydrophobicContact CG-CB 3.77Å; F70-N185 HydrophobicContact CZ-CB 4.29Å
71I88.4Confident84.5Confident17 Ų1771.6 Ų71.69%0.08737%0.367CS..Hα-helixtrans-66.1-47.4178.5-56.2176.4000109.6S68 L69 H74 I75 I121 K122S68-I71 WeakPolarHBondContact O-CB 3.39Å; S68-I71 PolarHBondContact O-N 3.43Å; L69-I71 VanDerWaalsContact C-N 3.27Å; L69-I71 PolarHBondContact O-N 3.5Å; I71-H74 PolarHBondContact O-N 3.5Å; I71-I75 HydrophobicContact CG2-CD1 3.8Å; I71-I75 HydrophobicContact CG2-CG1 4.44Å; I71-I75 WeakPolarHBondContact O-CG1 3.45Å; I71-I75 PolarHBondContact O-N 3.37Å; I71-I121 HydrophobicContact CD1-CG2 3.91Å; I71-I121 HydrophobicContact CG1-CD1 4.04Å; I71-I121 HydrophobicContact CG1-CG2 4.1Å; I71-K122 HydrophobicContact CD1-CD 4.05Å; I71-K122 HydrophobicContact CD1-CG 4.45Å
72Y90.9Very high85.3Confident161 Ų16166.3 Ų66.363%0.63135%0.348SS*.Hα-helixtrans-63.4-43.2179.3-62.2-67.4000112.3S68 L69 H74 I75 L76S68-Y72 WeakPolarHBondContact O-CD2 3.19Å; S68-Y72 PolarHBondContact O-N 2.83Å; L69-Y72 PolarHBondContact O-N 2.79Å; Y72-H74 VanDerWaalsContact C-N 3.32Å; Y72-H74 PolarHBondContact O-N 2.89Å; Y72-I75 PolarHBondContact O-N 3.44Å; Y72-L76 WeakPolarHBondContact O-CB 3.23Å; Y72-L76 PolarHBondContact O-N 2.9Å
73L90.6Very high86.2Confident79 Ų7967 Ų6741%0.41436%0.358SS..Hα-helixtrans-62.6-39.1175.8-70.3173.9000111.8L62 L69 L77L62-L73 HydrophobicContact CD2-CD1 3.83Å; L69-L73 HydrophobicContact CD1-CD1 4.31Å; L69-L73 HydrophobicContact CD1-CG 4.13Å; L69-L73 HydrophobicContact CD2-CD1 4.41Å; L69-L73 HydrophobicContact CG-CD1 3.87Å; L69-L73 HydrophobicContact CG-CG 4.17Å; L69-L73 WeakPolarHBondContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-L73 PolarHBondContact O-N 3.42Å; L73-L77 WeakPolarHBondContact O-CB 3.47Å; L73-L77 PolarHBondContact O-N 3.14Å
74H90.4Very high87.1Confident38 Ų3867.2 Ų67.218%0.17636%0.36CS..Hα-helixtrans-66.4-45.9176.6-165.885000111.8F70 I71 Y72 L76 L77 E78 K113 F117F70-H74 WeakPolarHBondContact O-CB 3.13Å; F70-H74 PolarHBondContact O-N 2.88Å; I71-H74 PolarHBondContact O-N 3.5Å; Y72-H74 VanDerWaalsContact C-N 3.32Å; Y72-H74 PolarHBondContact O-N 2.89Å; H74-L76 VanDerWaalsContact C-N 3.32Å; H74-L76 PolarHBondContact O-N 3.3Å; H74-L77 PolarHBondContact O-N 3.38Å; H74-E78 IonicContact CD2-OE2 3.58Å; H74-E78 VanDerWaalsContact O-CB 3.23Å; H74-E78 WeakPolarHBondContact O-CB 3.46Å; H74-E78 PolarHBondContact O-N 2.86Å; H74-K113 PolarHBondContact NE2-NZ 3.15Å; H74-F117 HydrophobicContact CB-CE1 3.94Å; H74-F117 HydrophobicContact CB-CZ 3.7Å; H74-F117 AromaticContact CD2-CE1 3.51Å; H74-F117 AromaticContact CD2-CE2 3.89Å; H74-F117 AromaticContact CD2-CZ 3.42Å; H74-F117 VanDerWaalsContact CD2-CZ 3.42Å; H74-F117 WeakPolarHBondContact CD2-CZ 3.36Å; H74-F117 AromaticContact CG-CE1 3.78Å; H74-F117 AromaticContact CG-CZ 3.37Å; H74-F117 AromaticContact ND1-CZ 3.85Å; H74-F117 AromaticContact NE2-CE2 3.89Å; H74-F117 AromaticContact NE2-CZ 3.92Å
75I92.4Very high88.1Confident82 Ų8264.2 Ų64.242%0.42135%0.346SS..Hα-helixtrans-62.9-39.7177.2-68.3170.6000110.8I71 Y72 E78 G79I71-I75 HydrophobicContact CG2-CD1 3.8Å; I71-I75 HydrophobicContact CG2-CG1 4.44Å; I71-I75 WeakPolarHBondContact O-CG1 3.45Å; I71-I75 PolarHBondContact O-N 3.37Å; Y72-I75 PolarHBondContact O-N 3.44Å; I75-E78 PolarHBondContact O-N 3.4Å; I75-G79 PolarHBondContact O-N 2.89Å
76L94.2Very high89.2Confident123 Ų12361.7 Ų61.764%0.64434%0.339SS*.Hα-helixtrans-63.4-47.4176.5179.164.3000111.6Y72 H74 E78 G79 A80Y72-L76 WeakPolarHBondContact O-CB 3.23Å; Y72-L76 PolarHBondContact O-N 2.9Å; H74-L76 VanDerWaalsContact C-N 3.32Å; H74-L76 PolarHBondContact O-N 3.3Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 2.91Å; L76-G79 PolarHBondContact O-N 2.82Å; L76-A80 PolarHBondContact O-N 3.46Å
77L91.8Very high89.9Confident111 Ų11163 Ų6358%0.58135%0.353SS*.Hα-helixtrans-60.8-44.2176.617763.2000111.4L73 H74 A80 V81L73-L77 WeakPolarHBondContact O-CB 3.47Å; L73-L77 PolarHBondContact O-N 3.14Å; H74-L77 PolarHBondContact O-N 3.38Å; L77-A80 PolarHBondContact O-N 2.81Å; L77-V81 WeakPolarHBondContact O-CG2 3.37Å; L77-V81 PolarHBondContact O-N 3.11Å
78E92.9Very high90.4Very high19 Ų1963.6 Ų63.69%0.08935%0.352CS..Hα-helixtrans-61.8-44.7177.2175.7166.5-151.100112.2H74 I75 L76 A80 V81 F82 L110 K113 T114H74-E78 IonicContact CD2-OE2 3.58Å; H74-E78 VanDerWaalsContact O-CB 3.23Å; H74-E78 WeakPolarHBondContact O-CB 3.46Å; H74-E78 PolarHBondContact O-N 2.86Å; I75-E78 PolarHBondContact O-N 3.4Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 2.91Å; E78-A80 VanDerWaalsContact C-N 3.35Å; E78-A80 PolarHBondContact O-N 3.46Å; E78-V81 PolarHBondContact O-N 3.3Å; E78-F82 PolarHBondContact O-N 3.27Å; E78-L110 HydrophobicContact CG-CD1 3.57Å; E78-L110 WeakPolarHBondContact OE1-CD1 3.3Å; E78-K113 VanDerWaalsContact OE1-CE 3.24Å; E78-K113 WeakPolarHBondContact OE1-CE 3.3Å; E78-K113 IonicContact OE1-NZ 2.9Å; E78-K113 PolarHBondContact OE1-NZ 3.22Å; E78-K113 IonicContact OE2-NZ 3.66Å; E78-K113 PolarHBondContact OE2-NZ 2.88Å; E78-T114 PolarHBondContact OE1-OG1 3.47Å
79G94.1Very high90.5Very high41 Ų4160.4 Ų60.442%0.42333%0.33SS..Hα-helixtrans-61.1-41.6174.100000112.5I75 L76 F82 A83I75-G79 PolarHBondContact O-N 2.89Å; L76-G79 PolarHBondContact O-N 2.82Å; G79-F82 PolarHBondContact O-N 2.92Å; G79-A83 VanDerWaalsContact O-CB 3.28Å; G79-A83 WeakPolarHBondContact O-CB 3.37Å; G79-A83 PolarHBondContact O-N 3.04Å
80A92.8Very high90.4Very high51 Ų5159 Ų5942%0.42132%0.32SS..Hα-helixtrans-63.2-45.9176.200000111.9L76 L77 E78 F82 A83 E84L76-A80 PolarHBondContact O-N 3.46Å; L77-A80 PolarHBondContact O-N 2.81Å; E78-A80 VanDerWaalsContact C-N 3.35Å; E78-A80 PolarHBondContact O-N 3.46Å; A80-F82 VanDerWaalsContact C-N 3.35Å; A80-F82 PolarHBondContact O-N 3.48Å; A80-A83 PolarHBondContact O-N 3.01Å; A80-E84 WeakPolarHBondContact O-CG 3.36Å; A80-E84 PolarHBondContact O-N 3.44Å
81V91Very high90.2Very high79 Ų7959.6 Ų59.648%0.47933%0.331SS..Hα-helixtrans-61.7-42.8177.1171.20000111.4L77 E78 E84 F85L77-V81 WeakPolarHBondContact O-CG2 3.37Å; L77-V81 PolarHBondContact O-N 3.11Å; E78-V81 PolarHBondContact O-N 3.3Å; V81-E84 PolarHBondContact O-N 3.49Å; V81-F85 WeakPolarHBondContact O-CB 3.35Å; V81-F85 PolarHBondContact O-N 3.49Å
82F93.1Very high90.1Very high12 Ų1262.6 Ų62.65%0.05334%0.343CS..Hα-helixtrans-73.6-30.4179-97.2-104000113.3E78 G79 A80 F85 S86 P106 Y107 L110 M206 I210E78-F82 PolarHBondContact O-N 3.27Å; G79-F82 PolarHBondContact O-N 2.92Å; A80-F82 VanDerWaalsContact C-N 3.35Å; A80-F82 PolarHBondContact O-N 3.48Å; F82-F85 HydrophobicContact CD1-CD1 4.43Å; F82-F85 PolarHBondContact O-N 2.98Å; F82-S86 WeakPolarHBondContact O-CB 3.48Å; F82-S86 PolarHBondContact O-N 3.34Å; F82-S86 PolarHBondContact O-OG 2.94Å; F82-P106 HydrophobicContact CE1-CB 4.26Å; F82-Y107 AromaticContact CD1-CD1 3.85Å; F82-Y107 HydrophobicContact CD1-CD1 3.85Å; F82-Y107 AromaticContact CD1-CE1 3.81Å; F82-Y107 HydrophobicContact CD1-CE1 3.81Å; F82-Y107 HydrophobicContact CE1-CD1 4.11Å; F82-Y107 HydrophobicContact CE1-CE1 4.34Å; F82-L110 HydrophobicContact CB-CD2 4.37Å; F82-L110 HydrophobicContact CD1-CD1 4.46Å; F82-L110 HydrophobicContact CD1-CD2 3.65Å; F82-L110 HydrophobicContact CD1-CG 4.48Å; F82-L110 HydrophobicContact CD2-CD1 3.65Å; F82-L110 HydrophobicContact CD2-CD2 4.08Å; F82-L110 HydrophobicContact CD2-CG 4.45Å; F82-L110 HydrophobicContact CE1-CB 3.99Å; F82-L110 HydrophobicContact CE1-CD1 4.19Å; F82-L110 HydrophobicContact CE1-CD2 3.85Å; F82-L110 HydrophobicContact CE1-CG 4.25Å; F82-L110 HydrophobicContact CE2-CB 4.49Å; F82-L110 HydrophobicContact CE2-CD1 3.38Å; F82-L110 HydrophobicContact CE2-CD2 4.32Å; F82-L110 HydrophobicContact CE2-CG 4.29Å; F82-L110 HydrophobicContact CG-CD1 4.19Å; F82-L110 HydrophobicContact CG-CD2 3.74Å; F82-L110 HydrophobicContact CZ-CB 3.9Å; F82-L110 HydrophobicContact CZ-CD1 3.65Å; F82-L110 HydrophobicContact CZ-CD2 4.18Å; F82-L110 HydrophobicContact CZ-CG 4.14Å; F82-M206 HydrophobicContact CE2-CE 4.41Å; F82-M206 HydrophobicContact CE2-CG 4.43Å; F82-M206 HydrophobicContact CE2-SD 3.77Å; F82-M206 HydrophobicContact CZ-CG 4.02Å; F82-M206 HydrophobicContact CZ-SD 3.8Å; F82-I210 HydrophobicContact CE2-CD1 3.88Å; F82-I210 HydrophobicContact CZ-CD1 3.75Å
83A92.1Very high89.8Confident48 Ų4855 Ų5540%0.39731%0.313SS..Hα-helixtrans-62.7-48.4171.600000110.5G79 A80 F85 S86 L87G79-A83 VanDerWaalsContact O-CB 3.28Å; G79-A83 WeakPolarHBondContact O-CB 3.37Å; G79-A83 PolarHBondContact O-N 3.04Å; A80-A83 PolarHBondContact O-N 3.01Å; A83-F85 PolarHBondContact O-N 2.87Å; A83-S86 WeakPolarHBondContact O-CB 3.3Å; A83-S86 PolarHBondContact O-N 2.86Å; A83-S86 VanDerWaalsContact O-N 3.14Å; A83-L87 VanDerWaalsContact O-CG 3.3Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 3.26Å
84E89.4Confident89.5Confident88 Ų8859.4 Ų59.441%0.41133%0.325SS..Hα-helixtrans-56.8-48.9174.5-74.5-69.9147.100111.9A80 V81 S86 L87 E88 R257A80-E84 WeakPolarHBondContact O-CG 3.36Å; A80-E84 PolarHBondContact O-N 3.44Å; V81-E84 PolarHBondContact O-N 3.49Å; E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 PolarHBondContact O-N 3.37Å; E84-L87 PolarHBondContact O-N 2.95Å; E84-E88 WeakPolarHBondContact O-CB 3.48Å; E84-E88 WeakPolarHBondContact O-CG 3.33Å; E84-E88 PolarHBondContact O-N 3.14Å; E84-R257 IonicContact OE1-NH2 3.89Å; E84-R257 IonicContact OE2-CZ 3.5Å; E84-R257 IonicContact OE2-NH2 3.08Å; E84-R257 PolarHBondContact OE2-NH2 3.41Å
85F90.8Very high89.2Confident3 Ų364.3 Ų64.31%0.01335%0.348CS..Hα-helixtrans-58.6-40.3175.1172.8-103000112.9V81 F82 A83 V89 F90 P106 Y107 I210 L213 M261V81-F85 WeakPolarHBondContact O-CB 3.35Å; V81-F85 PolarHBondContact O-N 3.49Å; F82-F85 HydrophobicContact CD1-CD1 4.43Å; F82-F85 PolarHBondContact O-N 2.98Å; A83-F85 PolarHBondContact O-N 2.87Å; F85-V89 HydrophobicContact CD2-CB 3.92Å; F85-V89 HydrophobicContact CD2-CG1 4.43Å; F85-V89 HydrophobicContact CD2-CG2 4.05Å; F85-V89 HydrophobicContact CE2-CB 3.75Å; F85-V89 HydrophobicContact CE2-CG1 3.76Å; F85-V89 HydrophobicContact CE2-CG2 4.16Å; F85-V89 HydrophobicContact CZ-CB 4.43Å; F85-V89 HydrophobicContact CZ-CG1 4.27Å; F85-V89 WeakPolarHBondContact O-CB 3.38Å; F85-V89 PolarHBondContact O-N 3.44Å; F85-F90 PolarHBondContact O-N 2.84Å; F85-P106 HydrophobicContact CE1-CB 4.28Å; F85-P106 HydrophobicContact CE1-CG 4.47Å; F85-P106 HydrophobicContact CZ-CG 4.39Å; F85-Y107 HydrophobicContact CE1-CE2 4.47Å; F85-I210 HydrophobicContact CD2-CG2 3.93Å; F85-I210 HydrophobicContact CE2-CB 4.44Å; F85-I210 HydrophobicContact CE2-CG1 4.38Å; F85-I210 HydrophobicContact CE2-CG2 3.83Å; F85-I210 HydrophobicContact CZ-CG1 4.43Å; F85-L213 HydrophobicContact CZ-CD2 3.84Å; F85-M261 HydrophobicContact CD2-CE 4.17Å; F85-M261 HydrophobicContact CD2-SD 4.43Å
86S91.4Very high88.8Confident36 Ų3661.6 Ų61.625%0.25233%0.333SS..Iπ-helixtrans-67.7-40.7179.3-55.20000111.9F82 A83 E84 F90 G91 Y107F82-S86 WeakPolarHBondContact O-CB 3.48Å; F82-S86 PolarHBondContact O-N 3.34Å; F82-S86 PolarHBondContact O-OG 2.94Å; A83-S86 WeakPolarHBondContact O-CB 3.3Å; A83-S86 PolarHBondContact O-N 2.86Å; A83-S86 VanDerWaalsContact O-N 3.14Å; E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 PolarHBondContact O-N 3.37Å; S86-F90 VanDerWaalsContact O-CB 3.32Å; S86-F90 WeakPolarHBondContact O-CB 3.49Å; S86-G91 PolarHBondContact O-N 3.32Å; S86-Y107 PolarHBondContact OG-OH 2.93Å
87L89.6Confident88.3Confident129 Ų12962.5 Ų62.568%0.67534%0.339SS*.Iπ-helixtrans-71.4-41.7-179.6-68172.7000111.6A83 E84A83-L87 VanDerWaalsContact O-CG 3.3Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 3.26Å; E84-L87 PolarHBondContact O-N 2.95Å
88E87Confident88Confident45 Ų4558.3 Ų58.321%0.2132%0.319CS..Iπ-helixtrans-91.8-33.9-171-66.2-70.6153.200114.1E84 F92 R257 I258E84-E88 WeakPolarHBondContact O-CB 3.48Å; E84-E88 WeakPolarHBondContact O-CG 3.33Å; E84-E88 PolarHBondContact O-N 3.14Å; E88-F92 WeakPolarHBondContact O-CD2 3.26Å; E88-R257 IonicContact OE1-CZ 3.64Å; E88-R257 IonicContact OE1-NE 2.64Å; E88-R257 IonicContact OE1-NH1 3.72Å; E88-R257 PolarHBondContact OE1-NH1 3.22Å; E88-R257 IonicContact OE1-NH2 2.6Å; E88-I258 HydrophobicContact CB-CG1 4.25Å; E88-I258 WeakPolarHBondContact O-CD1 3.21Å
89V85.9Confident87.8Confident0 Ų060.2 Ų60.20%034%0.335CS..Iπ-helixtrans-111.4-46-173.7-179.60000111.6F85 G91 F92 C93 T214 M217 I258 M261F85-V89 HydrophobicContact CD2-CB 3.92Å; F85-V89 HydrophobicContact CD2-CG1 4.43Å; F85-V89 HydrophobicContact CD2-CG2 4.05Å; F85-V89 HydrophobicContact CE2-CB 3.75Å; F85-V89 HydrophobicContact CE2-CG1 3.76Å; F85-V89 HydrophobicContact CE2-CG2 4.16Å; F85-V89 HydrophobicContact CZ-CB 4.43Å; F85-V89 HydrophobicContact CZ-CG1 4.27Å; F85-V89 WeakPolarHBondContact O-CB 3.38Å; F85-V89 PolarHBondContact O-N 3.44Å; V89-G91 VanDerWaalsContact C-N 3.35Å; V89-G91 PolarHBondContact O-N 3.16Å; V89-F92 PolarHBondContact O-N 3.22Å; V89-C93 PolarHBondContact O-N 3.22Å; V89-C93 PolarHBondContact O-SG 3.26Å; V89-T214 HydrophobicContact CG2-CG2 4.27Å; V89-M217 HydrophobicContact CB-SD 4.41Å; V89-M217 HydrophobicContact CG1-SD 4.04Å; V89-M217 HydrophobicContact CG2-SD 4.39Å; V89-I258 HydrophobicContact CG2-CG2 4.27Å; V89-M261 HydrophobicContact CG2-CE 3.6Å
90F83.8Confident87.5Confident59 Ų5964.8 Ų64.826%0.25935%0.349SS..Iπ-helixtrans-63.8-39.8-174.5-175.9-81.1000112.6F85 S86 C93 R94 L103 Y107F85-F90 PolarHBondContact O-N 2.84Å; S86-F90 VanDerWaalsContact O-CB 3.32Å; S86-F90 WeakPolarHBondContact O-CB 3.49Å; F90-C93 PolarHBondContact O-N 2.91Å; F90-R94 PolarHBondContact O-N 3.34Å; F90-L103 HydrophobicContact CD2-CB 4.22Å; F90-L103 HydrophobicContact CD2-CD2 3.86Å; F90-L103 HydrophobicContact CD2-CG 4.5Å; F90-L103 HydrophobicContact CE2-CB 3.73Å; F90-L103 HydrophobicContact CE2-CD1 4.36Å; F90-L103 HydrophobicContact CE2-CD2 4.17Å; F90-L103 HydrophobicContact CE2-CG 4.31Å; F90-L103 HydrophobicContact CG-CD2 4.47Å; F90-L103 HydrophobicContact CZ-CB 4.45Å; F90-L103 HydrophobicContact CZ-CD1 4.48Å; F90-Y107 AromaticContact CD2-CE2 3.68Å; F90-Y107 HydrophobicContact CD2-CE2 3.68Å; F90-Y107 AromaticContact CD2-CZ 3.98Å; F90-Y107 WeakPolarHBondContact CD2-OH 3.48Å; F90-Y107 AromaticContact CE2-CE2 3.76Å; F90-Y107 HydrophobicContact CE2-CE2 3.76Å
91G82.4Confident87.3Confident30 Ų3067.3 Ų67.331%0.30936%0.359SS..Hα-helixtrans-57.9-51.7175.500000112.3S86 V89 R94 E95S86-G91 PolarHBondContact O-N 3.32Å; V89-G91 VanDerWaalsContact C-N 3.35Å; V89-G91 PolarHBondContact O-N 3.16Å; G91-R94 WeakPolarHBondContact O-CB 3.23Å; G91-R94 PolarHBondContact O-N 3.46Å; G91-E95 PolarHBondContact O-N 3.25Å; G91-E95 VanDerWaalsContact O-N 3.16Å
92F84.3Confident87.3Confident81 Ų8166.5 Ų66.536%0.35536%0.356SS..Hα-helixtrans-62.1-44.3177.9-83.2-83.4000112.6E88 V89 R94 E95 M96 M217 F255E88-F92 WeakPolarHBondContact O-CD2 3.26Å; V89-F92 PolarHBondContact O-N 3.22Å; F92-R94 PolarHBondContact O-N 2.89Å; F92-E95 PolarHBondContact O-N 3.34Å; F92-E95 VanDerWaalsContact O-N 3.17Å; F92-M96 WeakPolarHBondContact O-CG 3.42Å; F92-M96 PolarHBondContact O-N 3.45Å; F92-M96 VanDerWaalsContact O-N 3.09Å; F92-M217 HydrophobicContact CB-CG 4.16Å; F92-M217 HydrophobicContact CB-SD 3.91Å; F92-M217 HydrophobicContact CG-SD 4.5Å; F92-F255 HydrophobicContact CE1-CE1 4.18Å; F92-F255 HydrophobicContact CZ-CE1 4.16Å
93C84.9Confident87.1Confident0 Ų066 Ų660%035%0.354CS..Hα-helixtrans-61.3-34.3176.8-68.20000112.3V89 F90 M96 S98 L103 L213V89-C93 PolarHBondContact O-N 3.22Å; V89-C93 PolarHBondContact O-SG 3.26Å; F90-C93 PolarHBondContact O-N 2.91Å; C93-M96 PolarHBondContact O-N 3.26Å; C93-S98 VanDerWaalsContact O-CB 3.3Å; C93-S98 WeakPolarHBondContact O-CB 3.36Å; C93-S98 PolarHBondContact O-N 3Å; C93-S98 VanDerWaalsContact O-N 3.12Å; C93-S98 PolarHBondContact O-OG 3.4Å; C93-L103 HydrophobicContact CB-CD2 3.53Å; C93-L213 HydrophobicContact CB-CD1 4.5Å
94R84.7Confident87.2Confident173 Ų17365.9 Ų65.965%0.65335%0.351SS*.Hα-helixtrans-67.1-38.6175.8-160-177.182.4167.94.9112.1F90 G91 F92 M96 D97F90-R94 PolarHBondContact O-N 3.34Å; G91-R94 WeakPolarHBondContact O-CB 3.23Å; G91-R94 PolarHBondContact O-N 3.46Å; F92-R94 PolarHBondContact O-N 2.89Å; R94-M96 PolarHBondContact O-N 3.43Å; R94-D97 PolarHBondContact O-N 2.98Å
95E85.4Confident87.5Confident140 Ų14064.5 Ų64.565%0.65435%0.348SS*.Hα-helixtrans-69.5-17.8174-68.7177.8-17300113.2G91 F92 R224G91-E95 PolarHBondContact O-N 3.25Å; G91-E95 VanDerWaalsContact O-N 3.16Å; F92-E95 PolarHBondContact O-N 3.34Å; F92-E95 VanDerWaalsContact O-N 3.17Å; E95-R224 PolarHBondContact O-NH1 3.38Å
96M82Confident87.7Confident25 Ų2564.4 Ų64.412%0.12335%0.348CS..THydrogen-bonded Turntrans-96.213.3177.7-66.8-170.1-61.800114.1F92 C93 R94 S98 M217 H220 R224F92-M96 WeakPolarHBondContact O-CG 3.42Å; F92-M96 PolarHBondContact O-N 3.45Å; F92-M96 VanDerWaalsContact O-N 3.09Å; C93-M96 PolarHBondContact O-N 3.26Å; R94-M96 PolarHBondContact O-N 3.43Å; M96-S98 PolarHBondContact O-N 2.72Å; M96-M217 HydrophobicContact CE-CB 3.92Å; M96-M217 HydrophobicContact CE-CG 3.29Å; M96-H220 HydrophobicContact CE-CB 4.25Å; M96-H220 HydrophobicContact SD-CB 3.59Å; M96-H220 VanDerWaalsContact SD-CB 3.59Å; M96-R224 PolarHBondContact O-NH2 3.11Å
97D84.2Confident87.9Confident142 Ų14265.9 Ų65.976%0.75935%0.349SS*.THydrogen-bonded Turntrans57.728.1-178.9-61.3-49.9000113.9R94 S99R94-D97 PolarHBondContact O-N 2.98Å; D97-S99 PolarHBondContact O-N 3.3Å
98S86.6Confident88.2Confident23 Ų2364.1 Ų64.116%0.16134%0.339CS..  trans-60.6138.2172.4-60.90000110.5C93 M96 L100C93-S98 VanDerWaalsContact O-CB 3.3Å; C93-S98 WeakPolarHBondContact O-CB 3.36Å; C93-S98 PolarHBondContact O-N 3Å; C93-S98 VanDerWaalsContact O-N 3.12Å; C93-S98 PolarHBondContact O-OG 3.4Å; M96-S98 PolarHBondContact O-N 2.72Å; S98-L100 PolarHBondContact O-N 3.05Å
99S88.5Confident88.7Confident60 Ų6063.8 Ų63.842%0.4234%0.338SS..  trans-59.5138.2-17883.40000111.9D97 T101 S102 L103D97-S99 PolarHBondContact O-N 3.3Å; S99-T101 PolarHBondContact O-N 3.23Å; S99-T101 VanDerWaalsContact O-N 3.17Å; S99-S102 PolarHBondContact O-N 3.49Å; S99-S102 PolarHBondContact OG-N 2.9Å; S99-S102 VanDerWaalsContact OG-N 3.13Å; S99-S102 PolarHBondContact OG-OG 3.3Å; S99-L103 PolarHBondContact O-N 3.01Å; S99-L103 VanDerWaalsContact O-N 3.11Å
100L88.2Confident89.2Confident137 Ų13765.2 Ų65.272%0.71735%0.346SS*.Hα-helixtrans-56.3-32.4175.3-71.8174.5000112S98 L103 S104S98-L100 PolarHBondContact O-N 3.05Å; L100-L103 PolarHBondContact O-N 3.49Å; L100-S104 WeakPolarHBondContact O-CB 3.44Å; L100-S104 PolarHBondContact O-N 3.33Å; L100-S104 PolarHBondContact O-OG 3.37Å
101T88.9Confident89.9Confident104 Ų10465.4 Ų65.464%0.63836%0.358SS*.Hα-helixtrans-58.7-54.3174.1-51.40000110.7S99 L103 S104 V105S99-T101 PolarHBondContact O-N 3.23Å; S99-T101 VanDerWaalsContact O-N 3.17Å; T101-L103 VanDerWaalsContact C-N 3.25Å; T101-L103 PolarHBondContact O-N 3.16Å; T101-S104 PolarHBondContact O-N 2.87Å; T101-S104 VanDerWaalsContact O-N 3.14Å; T101-S104 PolarHBondContact O-OG 2.93Å; T101-V105 WeakPolarHBondContact O-CG2 3.29Å; T101-V105 PolarHBondContact O-N 2.84Å
102S89.3Confident90.6Very high61 Ų6167.1 Ų67.143%0.42736%0.36SS..Hα-helixtrans-58.3-39178-59.80000112.2S99 P106S99-S102 PolarHBondContact O-N 3.49Å; S99-S102 PolarHBondContact OG-N 2.9Å; S99-S102 VanDerWaalsContact OG-N 3.13Å; S99-S102 PolarHBondContact OG-OG 3.3Å; S102-P106 WeakPolarHBondContact O-CD 3.46Å
103L90.6Very high91.2Very high2 Ų263.8 Ų63.81%0.0135%0.345CS..Hα-helixtrans-70.3-29.8179.3-70.8171.2000113.5F90 C93 S99 L100 T101 Y107 L213F90-L103 HydrophobicContact CD2-CB 4.22Å; F90-L103 HydrophobicContact CD2-CD2 3.86Å; F90-L103 HydrophobicContact CD2-CG 4.5Å; F90-L103 HydrophobicContact CE2-CB 3.73Å; F90-L103 HydrophobicContact CE2-CD1 4.36Å; F90-L103 HydrophobicContact CE2-CD2 4.17Å; F90-L103 HydrophobicContact CE2-CG 4.31Å; F90-L103 HydrophobicContact CG-CD2 4.47Å; F90-L103 HydrophobicContact CZ-CB 4.45Å; F90-L103 HydrophobicContact CZ-CD1 4.48Å; C93-L103 HydrophobicContact CB-CD2 3.53Å; S99-L103 PolarHBondContact O-N 3.01Å; S99-L103 VanDerWaalsContact O-N 3.11Å; L100-L103 PolarHBondContact O-N 3.49Å; T101-L103 VanDerWaalsContact C-N 3.25Å; T101-L103 PolarHBondContact O-N 3.16Å; L103-Y107 WeakPolarHBondContact O-CD2 3.34Å; L103-Y107 WeakPolarHBondContact O-CE2 3.48Å; L103-L213 HydrophobicContact CD2-CD1 4.3Å; L103-L213 HydrophobicContact CD2-CD2 3.9Å
104S93Very high91.8Very high46 Ų4665.7 Ų65.732%0.32236%0.356SS..Hα-helixtrans-76.8-26.317971.60000113.7L100 T101 Y107 I108L100-S104 WeakPolarHBondContact O-CB 3.44Å; L100-S104 PolarHBondContact O-N 3.33Å; L100-S104 PolarHBondContact O-OG 3.37Å; T101-S104 PolarHBondContact O-N 2.87Å; T101-S104 VanDerWaalsContact O-N 3.14Å; T101-S104 PolarHBondContact O-OG 2.93Å; S104-Y107 PolarHBondContact O-N 2.96Å; S104-Y107 VanDerWaalsContact O-N 3.14Å; S104-I108 WeakPolarHBondContact O-CG1 3.1Å; S104-I108 PolarHBondContact O-N 2.95Å
105V95Very high92.4Very high59 Ų5963 Ų6336%0.35835%0.349SS..Hα-helixtrans-56.7-49-173.2168.10000113.1T101 Y107 I108 L109 A209T101-V105 WeakPolarHBondContact O-CG2 3.29Å; T101-V105 PolarHBondContact O-N 2.84Å; V105-Y107 VanDerWaalsContact C-N 3.29Å; V105-Y107 PolarHBondContact O-N 3.45Å; V105-I108 PolarHBondContact O-N 3.42Å; V105-L109 HydrophobicContact CG1-CD1 3.71Å; V105-L109 HydrophobicContact CG1-CG 4.39Å; V105-L109 WeakPolarHBondContact O-CB 3.41Å; V105-L109 WeakPolarHBondContact O-CG 3.33Å; V105-L109 PolarHBondContact O-N 2.95Å; V105-A209 HydrophobicContact CG1-CB 3.99Å
106P94.9Very high93Very high1 Ų158.2 Ų58.21%0.00633%0.327CS..Hα-helixtrans-58-37.5177.6-26.135.3000113.8F82 F85 S102 L110 A209 I210 L213F82-P106 HydrophobicContact CE1-CB 4.26Å; F85-P106 HydrophobicContact CE1-CB 4.28Å; F85-P106 HydrophobicContact CE1-CG 4.47Å; F85-P106 HydrophobicContact CZ-CG 4.39Å; S102-P106 WeakPolarHBondContact O-CD 3.46Å; P106-L110 WeakPolarHBondContact O-CB 3.47Å; P106-L110 PolarHBondContact O-N 3.36Å; P106-A209 HydrophobicContact CG-CB 4.23Å; P106-I210 HydrophobicContact CB-CG1 4.09Å; P106-L213 HydrophobicContact CG-CD2 4.2Å
107Y95.6Very high93.8Very high67 Ų6757 Ų5726%0.26332%0.321SS..Hα-helixtrans-76.5-34.2-179.8-59-88000112.8F82 F85 S86 F90 L103 S104 V105 L110 A111F82-Y107 AromaticContact CD1-CD1 3.85Å; F82-Y107 HydrophobicContact CD1-CD1 3.85Å; F82-Y107 AromaticContact CD1-CE1 3.81Å; F82-Y107 HydrophobicContact CD1-CE1 3.81Å; F82-Y107 HydrophobicContact CE1-CD1 4.11Å; F82-Y107 HydrophobicContact CE1-CE1 4.34Å; F85-Y107 HydrophobicContact CE1-CE2 4.47Å; S86-Y107 PolarHBondContact OG-OH 2.93Å; F90-Y107 AromaticContact CD2-CE2 3.68Å; F90-Y107 HydrophobicContact CD2-CE2 3.68Å; F90-Y107 AromaticContact CD2-CZ 3.98Å; F90-Y107 WeakPolarHBondContact CD2-OH 3.48Å; F90-Y107 AromaticContact CE2-CE2 3.76Å; F90-Y107 HydrophobicContact CE2-CE2 3.76Å; L103-Y107 WeakPolarHBondContact O-CD2 3.34Å; L103-Y107 WeakPolarHBondContact O-CE2 3.48Å; S104-Y107 PolarHBondContact O-N 2.96Å; S104-Y107 VanDerWaalsContact O-N 3.14Å; V105-Y107 VanDerWaalsContact C-N 3.29Å; V105-Y107 PolarHBondContact O-N 3.45Å; Y107-L110 VanDerWaalsContact O-CB 3.3Å; Y107-L110 WeakPolarHBondContact O-CB 3.39Å; Y107-L110 PolarHBondContact O-N 2.87Å; Y107-A111 PolarHBondContact O-N 3.15Å
108I97.3Very high94.3Very high92 Ų9255.5 Ų55.547%0.47231%0.305SS..Hα-helixtrans-64.5-46.1171.8-67.1168.1000109.4S104 V105 L110 A111 I112S104-I108 WeakPolarHBondContact O-CG1 3.1Å; S104-I108 PolarHBondContact O-N 2.95Å; V105-I108 PolarHBondContact O-N 3.42Å; I108-L110 VanDerWaalsContact C-N 3.28Å; I108-L110 PolarHBondContact O-N 2.92Å; I108-A111 PolarHBondContact O-N 3.12Å; I108-I112 HydrophobicContact CG2-CD1 3.86Å; I108-I112 WeakPolarHBondContact O-CG1 3.37Å; I108-I112 PolarHBondContact O-N 3.44Å
109L97.4Very high94.8Very high38 Ų3856 Ų5620%0.19931%0.306CS..Hα-helixtrans-63.6-34.8176.5-70.7169.9000111.9V105 I112 K113 M206 A209V105-L109 HydrophobicContact CG1-CD1 3.71Å; V105-L109 HydrophobicContact CG1-CG 4.39Å; V105-L109 WeakPolarHBondContact O-CB 3.41Å; V105-L109 WeakPolarHBondContact O-CG 3.33Å; V105-L109 PolarHBondContact O-N 2.95Å; L109-I112 PolarHBondContact O-N 3.26Å; L109-K113 WeakPolarHBondContact O-CB 3.22Å; L109-K113 PolarHBondContact O-N 3.47Å; L109-M206 HydrophobicContact CB-CB 3.96Å; L109-M206 HydrophobicContact CB-CG 4.3Å; L109-A209 HydrophobicContact CD1-CB 3.77Å
110L96.8Very high95.2Very high30 Ų3053.2 Ų53.216%0.15729%0.286CS..Hα-helixtrans-57.1-50.6171.4-176.269.1000111.9E78 F82 P106 Y107 I108 K113 T114 M206E78-L110 HydrophobicContact CG-CD1 3.57Å; E78-L110 WeakPolarHBondContact OE1-CD1 3.3Å; F82-L110 HydrophobicContact CB-CD2 4.37Å; F82-L110 HydrophobicContact CD1-CD1 4.46Å; F82-L110 HydrophobicContact CD1-CD2 3.65Å; F82-L110 HydrophobicContact CD1-CG 4.48Å; F82-L110 HydrophobicContact CD2-CD1 3.65Å; F82-L110 HydrophobicContact CD2-CD2 4.08Å; F82-L110 HydrophobicContact CD2-CG 4.45Å; F82-L110 HydrophobicContact CE1-CB 3.99Å; F82-L110 HydrophobicContact CE1-CD1 4.19Å; F82-L110 HydrophobicContact CE1-CD2 3.85Å; F82-L110 HydrophobicContact CE1-CG 4.25Å; F82-L110 HydrophobicContact CE2-CB 4.49Å; F82-L110 HydrophobicContact CE2-CD1 3.38Å; F82-L110 HydrophobicContact CE2-CD2 4.32Å; F82-L110 HydrophobicContact CE2-CG 4.29Å; F82-L110 HydrophobicContact CG-CD1 4.19Å; F82-L110 HydrophobicContact CG-CD2 3.74Å; F82-L110 HydrophobicContact CZ-CB 3.9Å; F82-L110 HydrophobicContact CZ-CD1 3.65Å; F82-L110 HydrophobicContact CZ-CD2 4.18Å; F82-L110 HydrophobicContact CZ-CG 4.14Å; P106-L110 WeakPolarHBondContact O-CB 3.47Å; P106-L110 PolarHBondContact O-N 3.36Å; Y107-L110 VanDerWaalsContact O-CB 3.3Å; Y107-L110 WeakPolarHBondContact O-CB 3.39Å; Y107-L110 PolarHBondContact O-N 2.87Å; I108-L110 VanDerWaalsContact C-N 3.28Å; I108-L110 PolarHBondContact O-N 2.92Å; L110-K113 PolarHBondContact O-N 2.89Å; L110-T114 WeakPolarHBondContact O-CB 3.4Å; L110-T114 PolarHBondContact O-N 3.32Å; L110-T114 PolarHBondContact O-OG1 3.32Å; L110-M206 HydrophobicContact CB-SD 4.31Å; L110-M206 HydrophobicContact CD1-SD 3.71Å
111A97.6Very high95.5Very high62 Ų6247.3 Ų47.351%0.51226%0.255SS..Hα-helixtrans-62.6-4518000000111.5Y107 I108 T114 F115Y107-A111 PolarHBondContact O-N 3.15Å; I108-A111 PolarHBondContact O-N 3.12Å; A111-T114 PolarHBondContact O-N 3.45Å; A111-F115 WeakPolarHBondContact O-CB 3.34Å; A111-F115 PolarHBondContact O-N 2.91Å
112I98.1Very high95.7Very high67 Ų6747.6 Ų47.634%0.34425%0.248SC..Hα-helixtrans-61-47.6176.8-67.5169.7000110.9I108 L109 F115 F116I108-I112 HydrophobicContact CG2-CD1 3.86Å; I108-I112 WeakPolarHBondContact O-CG1 3.37Å; I108-I112 PolarHBondContact O-N 3.44Å; L109-I112 PolarHBondContact O-N 3.26Å; I112-F115 PolarHBondContact O-N 2.83Å; I112-F116 HydrophobicContact CG2-CD2 3.72Å; I112-F116 HydrophobicContact CG2-CE2 3.52Å; I112-F116 VanDerWaalsContact O-CD2 3.29Å; I112-F116 WeakPolarHBondContact O-CD2 3.5Å; I112-F116 PolarHBondContact O-N 3.4Å
113K97.1Very high96Very high11 Ų1146.2 Ų46.25%0.04824%0.237CC..Hα-helixtrans-60-46.6177.8175.3-79.4-131.1-177.60111.2H74 E78 L109 L110 F115 F116 F117 Y199 S202 V203H74-K113 PolarHBondContact NE2-NZ 3.15Å; E78-K113 VanDerWaalsContact OE1-CE 3.24Å; E78-K113 WeakPolarHBondContact OE1-CE 3.3Å; E78-K113 IonicContact OE1-NZ 2.9Å; E78-K113 PolarHBondContact OE1-NZ 3.22Å; E78-K113 IonicContact OE2-NZ 3.66Å; E78-K113 PolarHBondContact OE2-NZ 2.88Å; L109-K113 WeakPolarHBondContact O-CB 3.22Å; L109-K113 PolarHBondContact O-N 3.47Å; L110-K113 PolarHBondContact O-N 2.89Å; K113-F115 VanDerWaalsContact C-N 3.33Å; K113-F115 PolarHBondContact O-N 3.49Å; K113-F116 PolarHBondContact O-N 3.39Å; K113-F117 VanDerWaalsContact O-CB 3.27Å; K113-F117 WeakPolarHBondContact O-CB 3.29Å; K113-F117 PolarHBondContact O-N 2.86Å; K113-Y199 HydrophobicContact CD-CD2 4.43Å; K113-Y199 HydrophobicContact CD-CE2 4.03Å; K113-Y199 HydrophobicContact CG-CD2 4.18Å; K113-Y199 HydrophobicContact CG-CE2 4.09Å; K113-S202 WeakPolarHBondContact CA-OG 3.34Å; K113-V203 HydrophobicContact CG-CB 4.09Å
114T97.1Very high96.2Very high39 Ų3948.5 Ų48.524%0.23925%0.249CC..Hα-helixtrans-62.1-41.4178.9-590000111.3E78 L110 A111 F117 Y118E78-T114 PolarHBondContact OE1-OG1 3.47Å; L110-T114 WeakPolarHBondContact O-CB 3.4Å; L110-T114 PolarHBondContact O-N 3.32Å; L110-T114 PolarHBondContact O-OG1 3.32Å; A111-T114 PolarHBondContact O-N 3.45Å; T114-F117 WeakPolarHBondContact O-CB 3.17Å; T114-F117 PolarHBondContact O-N 3.44Å; T114-Y118 WeakPolarHBondContact O-CB 3.45Å; T114-Y118 PolarHBondContact O-N 2.84Å
115F97.6Very high96.4Very high116 Ų11646.3 Ų46.351%0.50923%0.234SC..Hα-helixtrans-61.8-50.1176.9176.9-106.4000112.1A111 I112 K113 F117 Y118 L119A111-F115 WeakPolarHBondContact O-CB 3.34Å; A111-F115 PolarHBondContact O-N 2.91Å; I112-F115 PolarHBondContact O-N 2.83Å; K113-F115 VanDerWaalsContact C-N 3.33Å; K113-F115 PolarHBondContact O-N 3.49Å; F115-F117 PolarHBondContact O-N 3.26Å; F115-Y118 PolarHBondContact O-N 2.89Å; F115-L119 HydrophobicContact CD1-CD1 4.05Å; F115-L119 HydrophobicContact CE1-CD1 3.45Å; F115-L119 VanDerWaalsContact CE1-CD1 3.45Å; F115-L119 HydrophobicContact CE1-CG 4.37Å; F115-L119 HydrophobicContact CE2-CD1 4.17Å; F115-L119 HydrophobicContact CE2-CG 4.39Å; F115-L119 HydrophobicContact CZ-CD1 3.54Å; F115-L119 HydrophobicContact CZ-CG 4.24Å; F115-L119 WeakPolarHBondContact O-CG 3.32Å; F115-L119 PolarHBondContact O-N 3.31Å
116F98.2Very high96.4Very high40 Ų4043.9 Ų43.918%0.17522%0.22CC..Hα-helixtrans-68.6-34.7178.8-71.4-53.5000113.2I112 K113 L119 C120 Y195 L198I112-F116 HydrophobicContact CG2-CD2 3.72Å; I112-F116 HydrophobicContact CG2-CE2 3.52Å; I112-F116 VanDerWaalsContact O-CD2 3.29Å; I112-F116 WeakPolarHBondContact O-CD2 3.5Å; I112-F116 PolarHBondContact O-N 3.4Å; K113-F116 PolarHBondContact O-N 3.39Å; F116-L119 HydrophobicContact CD1-CD1 4.38Å; F116-L119 PolarHBondContact O-N 2.9Å; F116-C120 VanDerWaalsContact O-CB 3.31Å; F116-C120 WeakPolarHBondContact O-CB 3.33Å; F116-C120 PolarHBondContact O-N 3.47Å; F116-Y195 HydrophobicContact CD1-CD1 4.25Å; F116-L198 HydrophobicContact CB-CB 4.4Å; F116-L198 HydrophobicContact CD1-CB 3.79Å; F116-L198 HydrophobicContact CD1-CD1 3.98Å; F116-L198 HydrophobicContact CD2-CB 3.75Å; F116-L198 HydrophobicContact CE1-CB 3.94Å; F116-L198 HydrophobicContact CE1-CD1 3.43Å; F116-L198 VanDerWaalsContact CE1-CD1 3.43Å; F116-L198 HydrophobicContact CE1-CG 4.29Å; F116-L198 HydrophobicContact CE2-CB 3.86Å; F116-L198 HydrophobicContact CE2-CD1 4.41Å; F116-L198 HydrophobicContact CG-CB 3.72Å; F116-L198 HydrophobicContact CZ-CB 3.97Å; F116-L198 HydrophobicContact CZ-CD1 3.69Å; F116-L198 HydrophobicContact CZ-CG 4.29Å
117F96.9Very high96.4Very high1 Ų145.3 Ų45.30%0.00423%0.229CC..Hα-helixtrans-56-54.3169.7173.6-104.1000110.6F70 H74 K113 T114 F115 L119 C120 I121 W183 V184 Y199F70-F117 HydrophobicContact CD1-CZ 4.34Å; F70-F117 HydrophobicContact CE1-CE2 4.22Å; F70-F117 AromaticContact CE1-CZ 3.84Å; F70-F117 HydrophobicContact CE1-CZ 3.84Å; H74-F117 HydrophobicContact CB-CE1 3.94Å; H74-F117 HydrophobicContact CB-CZ 3.7Å; H74-F117 AromaticContact CD2-CE1 3.51Å; H74-F117 AromaticContact CD2-CE2 3.89Å; H74-F117 AromaticContact CD2-CZ 3.42Å; H74-F117 VanDerWaalsContact CD2-CZ 3.42Å; H74-F117 WeakPolarHBondContact CD2-CZ 3.36Å; H74-F117 AromaticContact CG-CE1 3.78Å; H74-F117 AromaticContact CG-CZ 3.37Å; H74-F117 AromaticContact ND1-CZ 3.85Å; H74-F117 AromaticContact NE2-CE2 3.89Å; H74-F117 AromaticContact NE2-CZ 3.92Å; K113-F117 VanDerWaalsContact O-CB 3.27Å; K113-F117 WeakPolarHBondContact O-CB 3.29Å; K113-F117 PolarHBondContact O-N 2.86Å; T114-F117 WeakPolarHBondContact O-CB 3.17Å; T114-F117 PolarHBondContact O-N 3.44Å; F115-F117 PolarHBondContact O-N 3.26Å; F117-L119 VanDerWaalsContact C-N 3.34Å; F117-L119 PolarHBondContact O-N 2.78Å; F117-C120 WeakPolarHBondContact O-CB 3.15Å; F117-C120 PolarHBondContact O-N 2.67Å; F117-C120 VanDerWaalsContact O-N 3.08Å; F117-I121 HydrophobicContact CD1-CD1 4.12Å; F117-I121 HydrophobicContact CD2-CD1 4.18Å; F117-I121 HydrophobicContact CE1-CD1 3.5Å; F117-I121 VanDerWaalsContact CE1-CD1 3.5Å; F117-I121 HydrophobicContact CE1-CG1 4.49Å; F117-I121 HydrophobicContact CE2-CD1 3.58Å; F117-I121 HydrophobicContact CE2-CG1 4.3Å; F117-I121 HydrophobicContact CG-CD1 4.44Å; F117-I121 HydrophobicContact CZ-CD1 3.21Å; F117-I121 HydrophobicContact CZ-CG1 4.31Å; F117-I121 WeakPolarHBondContact O-CG1 3.27Å; F117-I121 PolarHBondContact O-N 3.45Å; F117-W183 WeakPolarHBondContact CE2-O 3.42Å; F117-V184 HydrophobicContact CD2-CG1 4.22Å; F117-V184 HydrophobicContact CE2-CG1 4.32Å; F117-Y199 HydrophobicContact CB-CD2 3.77Å; F117-Y199 HydrophobicContact CB-CE2 3.91Å; F117-Y199 HydrophobicContact CD2-CD2 4.37Å; F117-Y199 AromaticContact CD2-CE2 3.88Å; F117-Y199 HydrophobicContact CD2-CE2 3.88Å; F117-Y199 HydrophobicContact CG-CE2 4.33Å
118Y96.2Very high96.4Very high109 Ų10942.4 Ų42.443%0.42722%0.218SC..Hα-helixtrans-55.6-47.1178.5175.1-98.6000112.3T114 F115 C120 I121 K122T114-Y118 WeakPolarHBondContact O-CB 3.45Å; T114-Y118 PolarHBondContact O-N 2.84Å; F115-Y118 PolarHBondContact O-N 2.89Å; Y118-C120 PolarHBondContact O-N 3.27Å; Y118-I121 PolarHBondContact O-N 2.9Å; Y118-K122 HydrophobicContact CD2-CG 3.93Å; Y118-K122 HydrophobicContact CE1-CG 4.21Å; Y118-K122 HydrophobicContact CE2-CD 4.1Å; Y118-K122 HydrophobicContact CE2-CG 3.55Å; Y118-K122 HydrophobicContact CG-CG 4.41Å; Y118-K122 WeakPolarHBondContact O-CB 3.41Å; Y118-K122 WeakPolarHBondContact O-CG 3.19Å; Y118-K122 PolarHBondContact O-N 2.9Å
119L97.3Very high96.2Very high35 Ų3540.8 Ų40.818%0.18321%0.213CC..Hα-helixtrans-62-40.9176.9-68.9-177.4000112.3F115 F116 F117 I121 T123 Y195F115-L119 HydrophobicContact CD1-CD1 4.05Å; F115-L119 HydrophobicContact CE1-CD1 3.45Å; F115-L119 VanDerWaalsContact CE1-CD1 3.45Å; F115-L119 HydrophobicContact CE1-CG 4.37Å; F115-L119 HydrophobicContact CE2-CD1 4.17Å; F115-L119 HydrophobicContact CE2-CG 4.39Å; F115-L119 HydrophobicContact CZ-CD1 3.54Å; F115-L119 HydrophobicContact CZ-CG 4.24Å; F115-L119 WeakPolarHBondContact O-CG 3.32Å; F115-L119 PolarHBondContact O-N 3.31Å; F116-L119 HydrophobicContact CD1-CD1 4.38Å; F116-L119 PolarHBondContact O-N 2.9Å; F117-L119 VanDerWaalsContact C-N 3.34Å; F117-L119 PolarHBondContact O-N 2.78Å; L119-I121 VanDerWaalsContact C-N 3.34Å; L119-I121 PolarHBondContact O-N 3.43Å; L119-T123 WeakPolarHBondContact O-CB 3.25Å; L119-T123 PolarHBondContact O-N 2.97Å; L119-T123 PolarHBondContact O-OG1 3.05Å; L119-Y195 HydrophobicContact CB-CD1 3.86Å; L119-Y195 HydrophobicContact CB-CD2 4.08Å; L119-Y195 HydrophobicContact CB-CE1 4.18Å; L119-Y195 HydrophobicContact CB-CE2 4.39Å; L119-Y195 HydrophobicContact CB-CG 3.79Å; L119-Y195 HydrophobicContact CD1-CD1 3.76Å; L119-Y195 HydrophobicContact CD1-CE1 3.54Å; L119-Y195 HydrophobicContact CG-CD1 4.49Å; L119-Y195 HydrophobicContact CG-CE1 4.46Å
120C96.5Very high96Very high0 Ų044.6 Ų44.60%023%0.228CC..Hα-helixtrans-62.4-40.6178.7-1690000112.2F116 F117 Y118 V184 N186 N192F116-C120 VanDerWaalsContact O-CB 3.31Å; F116-C120 WeakPolarHBondContact O-CB 3.33Å; F116-C120 PolarHBondContact O-N 3.47Å; F117-C120 WeakPolarHBondContact O-CB 3.15Å; F117-C120 PolarHBondContact O-N 2.67Å; F117-C120 VanDerWaalsContact O-N 3.08Å; Y118-C120 PolarHBondContact O-N 3.27Å; C120-V184 HydrophobicContact CB-CG1 4.5Å; C120-N186 PolarHBondContact O-ND2 3.45Å; C120-N192 PolarHBondContact O-ND2 3.38Å
121I94.1Very high95.6Very high13 Ų1352.5 Ų52.57%0.06726%0.261CS..Hα-helixtrans-70.2-50.7178.4-61.5-163.4000111.5F70 I71 F117 Y118 L119 V184 N186F70-I121 HydrophobicContact CD1-CD1 3.88Å; F70-I121 HydrophobicContact CE1-CD1 3.95Å; I71-I121 HydrophobicContact CD1-CG2 3.91Å; I71-I121 HydrophobicContact CG1-CD1 4.04Å; I71-I121 HydrophobicContact CG1-CG2 4.1Å; F117-I121 HydrophobicContact CD1-CD1 4.12Å; F117-I121 HydrophobicContact CD2-CD1 4.18Å; F117-I121 HydrophobicContact CE1-CD1 3.5Å; F117-I121 VanDerWaalsContact CE1-CD1 3.5Å; F117-I121 HydrophobicContact CE1-CG1 4.49Å; F117-I121 HydrophobicContact CE2-CD1 3.58Å; F117-I121 HydrophobicContact CE2-CG1 4.3Å; F117-I121 HydrophobicContact CG-CD1 4.44Å; F117-I121 HydrophobicContact CZ-CD1 3.21Å; F117-I121 HydrophobicContact CZ-CG1 4.31Å; F117-I121 WeakPolarHBondContact O-CG1 3.27Å; F117-I121 PolarHBondContact O-N 3.45Å; Y118-I121 PolarHBondContact O-N 2.9Å; L119-I121 VanDerWaalsContact C-N 3.34Å; L119-I121 PolarHBondContact O-N 3.43Å; I121-V184 HydrophobicContact CG1-CB 4Å; I121-V184 VanDerWaalsContact CG1-O 3.27Å; I121-V184 WeakPolarHBondContact CG1-O 3.49Å; I121-N186 PolarHBondContact O-ND2 3.37Å; I121-N186 VanDerWaalsContact O-ND2 3.16Å
122K93.9Very high95.2Very high111 Ų11155.2 Ų55.248%0.48326%0.261SS..Hα-helixtrans-79-26.3-169.3-65.6-73.5-75.2-170.90112.9I71 Y118I71-K122 HydrophobicContact CD1-CD 4.05Å; I71-K122 HydrophobicContact CD1-CG 4.45Å; Y118-K122 HydrophobicContact CD2-CG 3.93Å; Y118-K122 HydrophobicContact CE1-CG 4.21Å; Y118-K122 HydrophobicContact CE2-CD 4.1Å; Y118-K122 HydrophobicContact CE2-CG 3.55Å; Y118-K122 HydrophobicContact CG-CG 4.41Å; Y118-K122 WeakPolarHBondContact O-CB 3.41Å; Y118-K122 WeakPolarHBondContact O-CG 3.19Å; Y118-K122 PolarHBondContact O-N 2.9Å
123T95.5Very high94.8Very high31 Ų3152.4 Ų52.419%0.1925%0.248CC..SBendtrans-67.3134.8178.3-59.20000111R66 L119 N186 N192 Y195R66-T123 PolarHBondContact NH2-O 3.38Å; L119-T123 WeakPolarHBondContact O-CB 3.25Å; L119-T123 PolarHBondContact O-N 2.97Å; L119-T123 PolarHBondContact O-OG1 3.05Å; T123-N186 PolarHBondContact O-ND2 3.42Å; T123-N192 HydrophobicContact CG2-CB 3.96Å; T123-Y195 HydrophobicContact CG2-CD2 4.37Å; T123-Y195 HydrophobicContact CG2-CE2 4.06Å; T123-Y195 WeakPolarHBondContact OG1-CE2 3.42Å
124D95.2Very high94.4Very high51 Ų5156.1 Ų56.127%0.27328%0.275SS..  trans-63.6125168176.9-103.1000109.2G126 T127 R191D124-G126 PolarHBondContact O-N 3.14Å; D124-G126 WeakPolarHBondContact OD1-CA 3.36Å; D124-G126 PolarHBondContact OD1-N 3.5Å; D124-T127 PolarHBondContact OD1-N 3.05Å; D124-T127 VanDerWaalsContact OD2-CB 3.27Å; D124-T127 WeakPolarHBondContact OD2-CB 3.35Å; D124-T127 PolarHBondContact OD2-OG1 3.09Å; D124-R191 VanDerWaalsContact O-CB 3.22Å; D124-R191 WeakPolarHBondContact O-CB 3.28Å
125P95.8Very high94.1Very high0 Ų056.1 Ų56.10%028%0.277CS..  trans-70.5-2.4-174.429.3-37.4000114.2V174 C187 G189 A190 R191P125-V174 HydrophobicContact CB-CG1 3.95Å; P125-V174 HydrophobicContact CG-CG1 4.16Å; P125-V174 HydrophobicContact CG-CG2 4.19Å; P125-C187 HydrophobicContact CB-CB 4.13Å; P125-C187 WeakPolarHBondContact CB-O 3.29Å; P125-C187 HydrophobicContact CG-CB 3.99Å; P125-G189 CarbonylContact O-C 3.6Å; P125-G189 WeakPolarHBondContact O-CA 3.4Å; P125-A190 PolarHBondContact O-N 3.48Å; P125-A190 VanDerWaalsContact O-N 3.09Å; P125-R191 PolarHBondContact O-N 2.8Å
126G95.1Very high93.8Very high7 Ų751.6 Ų51.67%0.07226%0.258CS..  trans106.349.1-168.700000111.3D124 V128 H175D124-G126 PolarHBondContact O-N 3.14Å; D124-G126 WeakPolarHBondContact OD1-CA 3.36Å; D124-G126 PolarHBondContact OD1-N 3.5Å; G126-V128 PolarHBondContact O-N 3.45Å; G126-H175 WeakPolarHBondContact O-CB 3.38Å; G126-H175 PolarHBondContact O-N 3.2Å
127T95.6Very high93.3Very high32 Ų3251.9 Ų51.920%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-61.1124.7179.4-60.60000110.4D124 R172 C173D124-T127 PolarHBondContact OD1-N 3.05Å; D124-T127 VanDerWaalsContact OD2-CB 3.27Å; D124-T127 WeakPolarHBondContact OD2-CB 3.35Å; D124-T127 PolarHBondContact OD2-OG1 3.09Å; T127-R172 HydrophobicContact CG2-CB 4.18Å; T127-R172 HydrophobicContact CG2-CG 4.32Å; T127-R172 VanDerWaalsContact OG1-CD 3.23Å; T127-R172 WeakPolarHBondContact OG1-CD 3.22Å; T127-R172 PolarHBondContact OG1-NH1 3.25Å; T127-C173 CarbonylContact C-O 3.38Å; T127-C173 WeakPolarHBondContact CA-O 3.27Å
128V95.2Very high93Very high6 Ų656.6 Ų56.64%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-87.5120177.2-173.30000108.6G126 A133 L136 L158 P161 C173 H175G126-V128 PolarHBondContact O-N 3.45Å; V128-A133 HydrophobicContact CG1-CB 3.96Å; V128-L136 HydrophobicContact CB-CD1 4.42Å; V128-L136 HydrophobicContact CG1-CD1 4.14Å; V128-L136 HydrophobicContact CG2-CD1 3.98Å; V128-L158 HydrophobicContact CB-CD2 4.45Å; V128-L158 HydrophobicContact CG1-CD1 4.02Å; V128-L158 HydrophobicContact CG1-CD2 3.98Å; V128-P161 HydrophobicContact CG1-CG 4.17Å; V128-C173 HydrophobicContact CB-CB 3.81Å; V128-C173 HydrophobicContact CG2-CB 4.31Å; V128-C173 PolarHBondContact N-O 2.89Å; V128-H175 HydrophobicContact CG2-CB 3.86Å
129T93.7Very high92.8Very high58 Ų5852.5 Ų52.536%0.35628%0.279SS..  trans-108.8158.1173.861.30000109.5K131 K132 A133T129-K131 PolarHBondContact O-N 2.91Å; T129-K132 PolarHBondContact O-N 3.3Å; T129-K132 PolarHBondContact OG1-N 3.38Å; T129-A133 WeakPolarHBondContact O-CB 3.34Å; T129-A133 PolarHBondContact O-N 2.88Å
130K91.7Very high92.5Very high117 Ų11751 Ų5151%0.50927%0.271SS..Hα-helixtrans-50.1-43.4175.9-66-172.9-175.8-170.70112.1K132 A133 C156 Q157 L158K130-K132 VanDerWaalsContact C-N 3.34Å; K130-K132 PolarHBondContact O-N 3.03Å; K130-A133 PolarHBondContact O-N 3.25Å; K130-C156 VanDerWaalsContact CE-O 3.29Å; K130-C156 WeakPolarHBondContact CE-O 3.44Å; K130-Q157 VanDerWaalsContact CE-CB 3.46Å; K130-Q157 WeakPolarHBondContact CE-O 3.42Å; K130-L158 HydrophobicContact CG-CB 4.24Å
131K89.9Confident92.2Very high197 Ų19755.2 Ų55.286%0.85730%0.298SS*.Hα-helixtrans-63.6-33.9179.4-62.8-174.8179.3-175.60113.7T129T129-K131 PolarHBondContact O-N 2.91Å
132K88.8Confident92Very high119 Ų11956.9 Ų56.952%0.51730%0.304SS..Hα-helixtrans-99.3-9.6-176.4-63.9-177.5-178.3-179.40113.5T129 K130 S134 S135 L136T129-K132 PolarHBondContact O-N 3.3Å; T129-K132 PolarHBondContact OG1-N 3.38Å; K130-K132 VanDerWaalsContact C-N 3.34Å; K130-K132 PolarHBondContact O-N 3.03Å; K132-S134 PolarHBondContact O-N 2.89Å; K132-S135 PolarHBondContact O-N 2.92Å; K132-S135 PolarHBondContact O-OG 3.02Å; K132-L136 HydrophobicContact CB-CD1 4.43Å; K132-L136 VanDerWaalsContact O-CG 3.27Å; K132-L136 WeakPolarHBondContact O-CG 3.48Å; K132-L136 PolarHBondContact O-N 3.32Å; K132-L136 VanDerWaalsContact O-N 3.12Å
133A89.1Confident91.7Very high7 Ų753.1 Ų53.16%0.05829%0.289CS..Hα-helixtrans-60.5-47.5-173.300000111.6V128 T129 K130 S135 L136 T137 L158V128-A133 HydrophobicContact CG1-CB 3.96Å; T129-A133 WeakPolarHBondContact O-CB 3.34Å; T129-A133 PolarHBondContact O-N 2.88Å; K130-A133 PolarHBondContact O-N 3.25Å; A133-S135 VanDerWaalsContact C-N 3.35Å; A133-S135 PolarHBondContact O-N 3.36Å; A133-L136 PolarHBondContact O-N 2.9Å; A133-T137 PolarHBondContact O-N 3.23Å; A133-T137 VanDerWaalsContact O-N 3.16Å; A133-T137 PolarHBondContact O-OG1 3.48Å; A133-T137 VanDerWaalsContact O-OG1 3.06Å; A133-L158 HydrophobicContact CB-CB 4.39Å
134S88.7Confident91.3Very high89 Ų8960.8 Ų60.862%0.62231%0.314SS*.Hα-helixtrans-63-37.5178.9550000113K132 L136 T137 P138K132-S134 PolarHBondContact O-N 2.89Å; S134-L136 VanDerWaalsContact C-N 3.3Å; S134-L136 PolarHBondContact O-N 2.66Å; S134-T137 PolarHBondContact O-N 3.26Å; S134-P138 VanDerWaalsContact O-CD 3.28Å; S134-P138 WeakPolarHBondContact O-CD 3.41Å
135S90.4Very high90.8Very high39 Ų3962 Ų6227%0.27332%0.315SS..Hα-helixtrans-73.8-20.2178.266.50000113.4K132 A133 P138 A339K132-S135 PolarHBondContact O-N 2.92Å; K132-S135 PolarHBondContact O-OG 3.02Å; A133-S135 VanDerWaalsContact C-N 3.35Å; A133-S135 PolarHBondContact O-N 3.36Å; S135-P138 WeakPolarHBondContact O-CD 3.36Å; S135-A339 WeakPolarHBondContact O-CB 3.27Å; S135-A339 WeakPolarHBondContact OG-CB 3.46Å
136L91.7Very high90.3Very high22 Ų2262.9 Ų62.912%0.11532%0.32CS..Hα-helixtrans-88.5-22175.9-68.2170.4000112.7V128 K132 A133 S134 P138 I139 P161 H175 A339V128-L136 HydrophobicContact CB-CD1 4.42Å; V128-L136 HydrophobicContact CG1-CD1 4.14Å; V128-L136 HydrophobicContact CG2-CD1 3.98Å; K132-L136 HydrophobicContact CB-CD1 4.43Å; K132-L136 VanDerWaalsContact O-CG 3.27Å; K132-L136 WeakPolarHBondContact O-CG 3.48Å; K132-L136 PolarHBondContact O-N 3.32Å; K132-L136 VanDerWaalsContact O-N 3.12Å; A133-L136 PolarHBondContact O-N 2.9Å; S134-L136 VanDerWaalsContact C-N 3.3Å; S134-L136 PolarHBondContact O-N 2.66Å; L136-P138 VanDerWaalsContact C-CD 3.49Å; L136-I139 HydrophobicContact CD2-CD1 3.57Å; L136-I139 WeakPolarHBondContact O-CB 3.37Å; L136-I139 PolarHBondContact O-N 3.02Å; L136-P161 HydrophobicContact CB-CB 4.14Å; L136-P161 HydrophobicContact CB-CG 3.77Å; L136-H175 HydrophobicContact CD1-CB 4.44Å; L136-A339 HydrophobicContact CD2-CB 4.09Å
137T89.2Confident90.1Very high45 Ų4563.2 Ų63.228%0.27632%0.319SS..G310 helixtrans-54.1-44.3177.6-550000114.5A133 S134 I139 Y142A133-T137 PolarHBondContact O-N 3.23Å; A133-T137 VanDerWaalsContact O-N 3.16Å; A133-T137 PolarHBondContact O-OG1 3.48Å; A133-T137 VanDerWaalsContact O-OG1 3.06Å; S134-T137 PolarHBondContact O-N 3.26Å; T137-I139 VanDerWaalsContact C-N 3.25Å; T137-I139 PolarHBondContact O-N 2.97Å; T137-Y142 HydrophobicContact CG2-CE2 3.79Å
138P89.5Confident89.9Confident100 Ų10066 Ų6665%0.64933%0.33SS*.G310 helixtrans-75-9.1-177.529.7-36.3000114.3S134 S135 L136S134-P138 VanDerWaalsContact O-CD 3.28Å; S134-P138 WeakPolarHBondContact O-CD 3.41Å; S135-P138 WeakPolarHBondContact O-CD 3.36Å; L136-P138 VanDerWaalsContact C-CD 3.49Å
139I91.3Very high89.7Confident24 Ų2469 Ų6912%0.12335%0.349CS..G310 helixtrans-67.5-40.1-175.8-62.7-179000111.7L136 T137 P337 A339L136-I139 HydrophobicContact CD2-CD1 3.57Å; L136-I139 WeakPolarHBondContact O-CB 3.37Å; L136-I139 PolarHBondContact O-N 3.02Å; T137-I139 VanDerWaalsContact C-N 3.25Å; T137-I139 PolarHBondContact O-N 2.97Å; I139-P337 HydrophobicContact CG2-CB 3.94Å; I139-P337 HydrophobicContact CG2-CG 3.52Å; I139-A339 HydrophobicContact CD1-CB 4.39Å
140Y91.4Very high89.6Confident3 Ų368.9 Ų68.91%0.01236%0.36CS..SBendtrans-127.8129.1179.2-60.4-67.5000109.7A162 R163 H175 R176 Y322 E332Y140-A162 WeakPolarHBondContact O-CB 3.42Å; Y140-R163 HydrophobicContact CD2-CG 4.39Å; Y140-R163 HydrophobicContact CG-CG 4.31Å; Y140-H175 AromaticContact CD2-CE1 3.5Å; Y140-H175 VanDerWaalsContact CD2-CE1 3.5Å; Y140-H175 WeakPolarHBondContact CD2-CE1 3.42Å; Y140-H175 AromaticContact CD2-NE2 3.76Å; Y140-H175 AromaticContact CE2-CE1 3.57Å; Y140-H175 AromaticContact CE2-NE2 3.37Å; Y140-H175 WeakPolarHBondContact CE2-NE2 3.4Å; Y140-R176 HydrophobicContact CE2-CB 4.43Å; Y140-R176 WeakPolarHBondContact OH-CD 3.29Å; Y140-Y322 HydrophobicContact CD1-CD1 4.31Å; Y140-E332 VanDerWaalsContact CE1-OE1 3.24Å; Y140-E332 WeakPolarHBondContact CE1-OE1 3.5Å; Y140-E332 VanDerWaalsContact CZ-OE1 3.29Å; Y140-E332 PolarHBondContact OH-OE1 3.49Å
141P90.6Very high89.7Confident88 Ų8866.5 Ų66.557%0.57136%0.355SS*.  trans-65.5150.8173.129.4-34.3000110.2D143 Y322P141-D143 PolarHBondContact O-N 2.93Å; P141-Y322 WeakPolarHBondContact O-CE1 3.25Å; P141-Y322 PolarHBondContact O-OH 2.87Å
142Y90.3Very high89.9Confident49 Ų4960.1 Ų60.119%0.19234%0.335CS..  trans-76.6121170.5-66.5-83.8000109.4T137 R144 F147 H148 P149 K160 A162T137-Y142 HydrophobicContact CG2-CE2 3.79Å; Y142-R144 PolarHBondContact O-N 3.48Å; Y142-F147 HydrophobicContact CD1-CB 4.24Å; Y142-H148 VanDerWaalsContact CD1-C 3.45Å; Y142-H148 WeakPolarHBondContact CD1-O 3.27Å; Y142-H148 WeakPolarHBondContact CE1-O 3.35Å; Y142-P149 HydrophobicContact CD2-CB 4.04Å; Y142-P149 HydrophobicContact CE2-CB 4.19Å; Y142-P149 HydrophobicContact CG-CB 4.26Å; Y142-K160 PolarHBondContact OH-O 3.3Å; Y142-K160 VanDerWaalsContact OH-O 3.1Å; Y142-A162 HydrophobicContact CD1-CB 3.79Å; Y142-A162 HydrophobicContact CE1-CB 3.95Å; Y142-A162 HydrophobicContact CG-CB 4.25Å
143D87.9Confident90.3Very high31 Ų3154.7 Ų54.717%0.16631%0.312CS..  trans-74-7177.860.731.8000114.3P141 R145 L146 F147 Y322P141-D143 PolarHBondContact O-N 2.93Å; D143-R145 PolarHBondContact O-N 3.01Å; D143-R145 PolarHBondContact OD1-N 2.86Å; D143-L146 PolarHBondContact OD1-N 3.21Å; D143-F147 PolarHBondContact OD1-N 3.06Å; D143-F147 WeakPolarHBondContact OD2-CD2 2.86Å; D143-Y322 VanDerWaalsContact CG-OH 3.32Å; D143-Y322 WeakPolarHBondContact OD2-CE2 3.4Å; D143-Y322 PolarHBondContact OD2-OH 3.45Å
144R87Confident90.6Very high192 Ų19262.5 Ų62.573%0.72535%0.347SS*.SBendtrans51.623-177.4-57.7-176.2179.4-173.30.1113.8Y142 F147 H148Y142-R144 PolarHBondContact O-N 3.48Å; R144-F147 WeakPolarHBondContact CA-O 3.24Å; R144-F147 PolarHBondContact N-O 2.86Å; R144-H148 PolarHBondContact O-CE1 3.37Å
145R83.9Confident90.9Very high76 Ų7662.7 Ų62.729%0.28735%0.345SS..SBendtrans-124.7-56.5177.3-176.7-177.176-174.3-2.1111.1D143 Q298 D318D143-R145 PolarHBondContact O-N 3.01Å; D143-R145 PolarHBondContact OD1-N 2.86Å; R145-Q298 PolarHBondContact O-NE2 3.46Å; R145-D318 PolarHBondContact NH1-O 2.82Å
146L86.5Confident91.1Very high19 Ų1962.1 Ų62.110%0.09934%0.341CS..SBendtrans-98.8-31.2176.2-65.9171.5000111D143 E291 K294D143-L146 PolarHBondContact OD1-N 3.21Å; L146-E291 HydrophobicContact CD1-CB 4.44Å; L146-E291 HydrophobicContact CD1-CG 4.45Å; L146-K294 HydrophobicContact CD2-CB 3.82Å
147F90.4Very high91.3Very high14 Ų1467.6 Ų67.66%0.06137%0.366CS..  trans-133.7120.1-177.1-52.2-76.7000110.4Y142 D143 R144 A162 R163 E291 Y322Y142-F147 HydrophobicContact CD1-CB 4.24Å; D143-F147 PolarHBondContact OD1-N 3.06Å; D143-F147 WeakPolarHBondContact OD2-CD2 2.86Å; R144-F147 WeakPolarHBondContact CA-O 3.24Å; R144-F147 PolarHBondContact N-O 2.86Å; F147-A162 HydrophobicContact CB-CB 4.32Å; F147-R163 HydrophobicContact CD2-CG 4.33Å; F147-R163 HydrophobicContact CE2-CB 4.37Å; F147-R163 HydrophobicContact CE2-CG 4.03Å; F147-R163 VanDerWaalsContact CZ-CA 3.5Å; F147-R163 HydrophobicContact CZ-CB 4.35Å; F147-R163 HydrophobicContact CZ-CG 4.5Å; F147-E291 HydrophobicContact CE2-CG 3.77Å; F147-E291 WeakPolarHBondContact CE2-OE1 3.34Å; F147-E291 HydrophobicContact CZ-CG 3.73Å; F147-Y322 HydrophobicContact CD2-CE2 4.37Å; F147-Y322 WeakPolarHBondContact CD2-OH 3.37Å; F147-Y322 HydrophobicContact CE2-CE2 4.35Å
148H90.8Very high91.6Very high91 Ų9166 Ų6642%0.42136%0.356SS..  trans-108.5148179.3-62.8-99.2000110.7Y142 R144 V151Y142-H148 VanDerWaalsContact CD1-C 3.45Å; Y142-H148 WeakPolarHBondContact CD1-O 3.27Å; Y142-H148 WeakPolarHBondContact CE1-O 3.35Å; R144-H148 PolarHBondContact O-CE1 3.37Å; H148-V151 HydrophobicContact CB-CG2 4.03Å; H148-V151 WeakPolarHBondContact O-CG2 3.39Å
149P91.9Very high91.9Very high69 Ų6965.2 Ų65.245%0.44835%0.345SS..THydrogen-bonded Turntrans-64.5154.9172.928.6-34.7000111.2Y142 V151Y142-P149 HydrophobicContact CD2-CB 4.04Å; Y142-P149 HydrophobicContact CE2-CB 4.19Å; Y142-P149 HydrophobicContact CG-CB 4.26Å; P149-V151 PolarHBondContact O-N 3.36Å
150G90.9Very high92Very high56 Ų5666.7 Ų66.758%0.57735%0.35SS*.THydrogen-bonded Turntrans78.2-6.3176.300000115.8S152G150-S152 PolarHBondContact O-N 2.87Å
151V93.6Very high92.2Very high67 Ų6766.6 Ų66.641%0.40635%0.35SS..  trans-67.1119.6178.51800000110.4H148 P149 K160H148-V151 HydrophobicContact CB-CG2 4.03Å; H148-V151 WeakPolarHBondContact O-CG2 3.39Å; P149-V151 PolarHBondContact O-N 3.36Å; V151-K160 HydrophobicContact CG1-CD 4.17Å; V151-K160 WeakPolarHBondContact O-CB 3.3Å; V151-K160 PolarHBondContact O-N 2.93Å
152S94.7Very high92.4Very high62 Ų6262.5 Ų62.543%0.43432%0.323SS..EExtended strand (participates in β ladder)trans-93.5160.1179.270.10000112.8G150 L158 K160G150-S152 PolarHBondContact O-N 2.87Å; S152-L158 CarbonylContact C-O 3.16Å; S152-L158 WeakPolarHBondContact CA-O 3.39Å; S152-K160 VanDerWaalsContact O-CE 3.28Å; S152-K160 WeakPolarHBondContact O-CE 3.42Å; S152-K160 PolarHBondContact O-NZ 3.4Å
153C96.5Very high92.7Very high5 Ų560.1 Ų60.13%0.03431%0.314CS..EExtended strand (participates in β ladder)trans-103.3114.7163.6-172.90000108.1C156 Q157 L158 K160 C173C153-C156 HydrophobicContact CB-CB 4.13Å; C153-C156 PolarHBondContact SG-N 3.14Å; C153-Q157 WeakPolarHBondContact O-CA 3.41Å; C153-Q157 PolarHBondContact O-N 3.34Å; C153-L158 HydrophobicContact CB-CD1 4.31Å; C153-L158 HydrophobicContact CB-CG 4.33Å; C153-L158 PolarHBondContact N-O 3.14Å; C153-L158 PolarHBondContact O-N 2.76Å; C153-K160 HydrophobicContact CB-CD 4.45Å; C153-K160 VanDerWaalsContact CB-CE 3.49Å; C153-K160 HydrophobicContact CB-CG 4.11Å; C153-C173 PolarHBondContact SG-SG 3.29Å
154E95.6Very high93.1Very high172 Ų17258.9 Ų58.980%0.80431%0.308SS*.THydrogen-bonded Turntrans-63.5-48.3178.2-67.1168-166.600111.5C156 Q157E154-C156 PolarHBondContact O-N 3Å; E154-Q157 VanDerWaalsContact O-CG 3.26Å; E154-Q157 WeakPolarHBondContact O-CG 3.23Å; E154-Q157 PolarHBondContact O-N 3.3Å
155T95.1Very high93.5Very high93 Ų9353.5 Ų53.557%0.57129%0.29SS*.THydrogen-bonded Turntrans-61.9-42.4-178.8-44.60000113.1N171T155-N171 WeakPolarHBondContact CG2-OD1 3.22Å
156C95.2Very high94.1Very high27 Ų2751.1 Ų51.118%0.18228%0.282CS..THydrogen-bonded Turntrans-92.9-6.6-179.8-58.90000113.2K130 C153 E154 L158 H166K130-C156 VanDerWaalsContact CE-O 3.29Å; K130-C156 WeakPolarHBondContact CE-O 3.44Å; C153-C156 HydrophobicContact CB-CB 4.13Å; C153-C156 PolarHBondContact SG-N 3.14Å; E154-C156 PolarHBondContact O-N 3Å; C156-L158 HydrophobicContact CB-CD2 3.73Å; C156-L158 HydrophobicContact CB-CG 3.91Å; C156-L158 PolarHBondContact O-N 3.46Å; C156-H166 PolarHBondContact SG-ND1 3.13Å
157Q95.6Very high94.5Very high137 Ų13750.6 Ų50.664%0.6428%0.279SS*.THydrogen-bonded Turntrans46.753-176.1-63.3176.5-1100113.1K130 C153 E154K130-Q157 VanDerWaalsContact CE-CB 3.46Å; K130-Q157 WeakPolarHBondContact CE-O 3.42Å; C153-Q157 WeakPolarHBondContact O-CA 3.41Å; C153-Q157 PolarHBondContact O-N 3.34Å; E154-Q157 VanDerWaalsContact O-CG 3.26Å; E154-Q157 WeakPolarHBondContact O-CG 3.23Å; E154-Q157 PolarHBondContact O-N 3.3Å
158L94.9Very high94.6Very high12 Ų1260.6 Ų60.66%0.06332%0.317CS..EExtended strand (participates in β ladder)trans-139.5152.417962.283.6000111.6V128 K130 A133 S152 C153 C156 K160 C173V128-L158 HydrophobicContact CB-CD2 4.45Å; V128-L158 HydrophobicContact CG1-CD1 4.02Å; V128-L158 HydrophobicContact CG1-CD2 3.98Å; K130-L158 HydrophobicContact CG-CB 4.24Å; A133-L158 HydrophobicContact CB-CB 4.39Å; S152-L158 CarbonylContact C-O 3.16Å; S152-L158 WeakPolarHBondContact CA-O 3.39Å; C153-L158 HydrophobicContact CB-CD1 4.31Å; C153-L158 HydrophobicContact CB-CG 4.33Å; C153-L158 PolarHBondContact N-O 3.14Å; C153-L158 PolarHBondContact O-N 2.76Å; C156-L158 HydrophobicContact CB-CD2 3.73Å; C156-L158 HydrophobicContact CB-CG 3.91Å; C156-L158 PolarHBondContact O-N 3.46Å; L158-K160 HydrophobicContact CD1-CG 4.36Å; L158-C173 HydrophobicContact CD1-CB 4.41Å; L158-C173 HydrophobicContact CD2-CB 4.39Å
159I95.2Very high94.4Very high83 Ų8358.7 Ų58.743%0.42631%0.312SS..EExtended strand (participates in β ladder)trans-74.3125.8168.2-56-57.6000108.4P161I159-P161 VanDerWaalsContact O-CD 3.32Å; I159-P161 WeakPolarHBondContact O-CD 3.24Å
160K95.1Very high94.3Very high54 Ų5456.3 Ų56.324%0.23530%0.296CS..PPolyproline II helixtrans-75.2120.2-175.4-70.4176.6-174.8142.30109.7Y142 V151 S152 C153 L158 S164Y142-K160 PolarHBondContact OH-O 3.3Å; Y142-K160 VanDerWaalsContact OH-O 3.1Å; V151-K160 HydrophobicContact CG1-CD 4.17Å; V151-K160 WeakPolarHBondContact O-CB 3.3Å; V151-K160 PolarHBondContact O-N 2.93Å; S152-K160 VanDerWaalsContact O-CE 3.28Å; S152-K160 WeakPolarHBondContact O-CE 3.42Å; S152-K160 PolarHBondContact O-NZ 3.4Å; C153-K160 HydrophobicContact CB-CD 4.45Å; C153-K160 VanDerWaalsContact CB-CE 3.49Å; C153-K160 HydrophobicContact CB-CG 4.11Å; L158-K160 HydrophobicContact CD1-CG 4.36Å; K160-S164 WeakPolarHBondContact CB-OG 3.38Å
161P95.6Very high94.3Very high2 Ų258.8 Ų58.81%0.01330%0.296CS..PPolyproline II helixtrans-57.3154.5165.6-22.133.7000110.8V128 L136 I159 S164V128-P161 HydrophobicContact CG1-CG 4.17Å; L136-P161 HydrophobicContact CB-CB 4.14Å; L136-P161 HydrophobicContact CB-CG 3.77Å; I159-P161 VanDerWaalsContact O-CD 3.32Å; I159-P161 WeakPolarHBondContact O-CD 3.24Å; P161-S164 WeakPolarHBondContact CD-OG 3.16Å; P161-S164 VanDerWaalsContact O-CB 3.28Å; P161-S164 WeakPolarHBondContact O-CB 3.49Å; P161-S164 PolarHBondContact O-N 3.34Å; P161-S164 VanDerWaalsContact O-N 3.15Å; P161-S164 PolarHBondContact O-OG 2.97Å
162A94.3Very high94.3Very high1 Ų157.9 Ų57.91%0.00829%0.286CS..THydrogen-bonded Turntrans-52.8147.7171.300000110.9Y140 Y142 F147 S164Y140-A162 WeakPolarHBondContact O-CB 3.42Å; Y142-A162 HydrophobicContact CD1-CB 3.79Å; Y142-A162 HydrophobicContact CE1-CB 3.95Å; Y142-A162 HydrophobicContact CG-CB 4.25Å; F147-A162 HydrophobicContact CB-CB 4.32Å; A162-S164 PolarHBondContact O-N 3.17Å; A162-S164 VanDerWaalsContact O-N 3.08Å
163R95.3Very high94.4Very high0 Ų055 Ų550%027%0.265CS..THydrogen-bonded Turntrans62.86.9-176.2-45.3-176.471.5176.211.9115.8Y140 F147 R176 F177 N286 E291 Y322 E332Y140-R163 HydrophobicContact CD2-CG 4.39Å; Y140-R163 HydrophobicContact CG-CG 4.31Å; F147-R163 HydrophobicContact CD2-CG 4.33Å; F147-R163 HydrophobicContact CE2-CB 4.37Å; F147-R163 HydrophobicContact CE2-CG 4.03Å; F147-R163 VanDerWaalsContact CZ-CA 3.5Å; F147-R163 HydrophobicContact CZ-CB 4.35Å; F147-R163 HydrophobicContact CZ-CG 4.5Å; R163-R176 CarbonylContact O-C 3.53Å; R163-R176 WeakPolarHBondContact O-CA 3.24Å; R163-R176 PolarHBondContact O-N 3.11Å; R163-F177 PolarHBondContact O-N 3.25Å; R163-N286 PolarHBondContact NH1-OD1 3.06Å; R163-N286 PolarHBondContact NH2-O 3.13Å; R163-E291 WeakPolarHBondContact CG-OE1 3.4Å; R163-E291 IonicContact CZ-OE1 3.52Å; R163-E291 IonicContact CZ-OE2 3.65Å; R163-E291 IonicContact NE-OE1 2.72Å; R163-E291 PolarHBondContact NE-OE1 2.87Å; R163-E291 IonicContact NE-OE2 3.64Å; R163-E291 IonicContact NH2-OE1 3.44Å; R163-E291 PolarHBondContact NH2-OE1 3.27Å; R163-E291 IonicContact NH2-OE2 2.81Å; R163-E291 PolarHBondContact NH2-OE2 2.64Å; R163-Y322 HydrophobicContact CG-CE1 4.06Å; R163-Y322 HydrophobicContact CG-CE2 4.06Å; R163-E332 IonicContact NH1-OE1 3.27Å; R163-E332 PolarHBondContact NH1-OE1 2.85Å
164S96.5Very high94.5Very high5 Ų554.7 Ų54.74%0.03526%0.263CS..  trans-91.4156.4175.475.60000113.1K160 P161 A162 V174K160-S164 WeakPolarHBondContact CB-OG 3.38Å; P161-S164 WeakPolarHBondContact CD-OG 3.16Å; P161-S164 VanDerWaalsContact O-CB 3.28Å; P161-S164 WeakPolarHBondContact O-CB 3.49Å; P161-S164 PolarHBondContact O-N 3.34Å; P161-S164 VanDerWaalsContact O-N 3.15Å; P161-S164 PolarHBondContact O-OG 2.97Å; A162-S164 PolarHBondContact O-N 3.17Å; A162-S164 VanDerWaalsContact O-N 3.08Å; S164-V174 WeakPolarHBondContact CA-O 3.25Å; S164-V174 VanDerWaalsContact CB-O 3.31Å; S164-V174 WeakPolarHBondContact CB-O 3.45Å
165K96.3Very high94.5Very high78 Ų7846.8 Ų46.834%0.33923%0.227SC..EExtended strand (participates in β ladder)trans-148.8146174.9-177.8171.7170.7-171.10111C173 V174 F177 N290K165-C173 WeakPolarHBondContact O-CA 3.44Å; K165-V174 PolarHBondContact N-O 3.35Å; K165-V174 VanDerWaalsContact N-O 3.1Å; K165-V174 PolarHBondContact O-N 3.35Å; K165-F177 HydrophobicContact CB-CB 3.78Å; K165-F177 HydrophobicContact CB-CD1 3.74Å; K165-F177 HydrophobicContact CB-CE1 4.46Å; K165-F177 HydrophobicContact CB-CG 3.76Å; K165-F177 HydrophobicContact CD-CD1 3.62Å; K165-F177 HydrophobicContact CD-CE1 3.66Å; K165-F177 HydrophobicContact CD-CG 4.44Å; K165-F177 HydrophobicContact CD-CZ 4.48Å; K165-F177 HydrophobicContact CG-CD1 4.13Å; K165-F177 HydrophobicContact CG-CE1 4.38Å; K165-F177 HydrophobicContact CG-CG 4.49Å; K165-N290 WeakPolarHBondContact CD-OD1 3.41Å; K165-N290 PolarHBondContact NZ-OD1 3.42Å
166H96.8Very high94.6Very high27 Ų2742.6 Ų42.613%0.12520%0.2CC..EExtended strand (participates in β ladder)trans-78.4120.9168.5-177.390.8000109.7C156 N171C156-H166 PolarHBondContact SG-ND1 3.13Å; H166-N171 PolarHBondContact CE1-OD1 3.49Å
167C95Very high94.7Very high7 Ų741.8 Ų41.85%0.04719%0.193CC..EExtended strand (participates in β ladder)trans-90.8112.6170.1179.70000108.7V169 C170 N171 R172 F177 C187C167-V169 VanDerWaalsContact C-N 3.28Å; C167-V169 PolarHBondContact O-N 2.83Å; C167-C170 HydrophobicContact CB-CB 4.14Å; C167-C170 PolarHBondContact O-N 3.49Å; C167-C170 PolarHBondContact SG-N 3.46Å; C167-C170 VanDerWaalsContact SG-N 3.43Å; C167-N171 VanDerWaalsContact O-CA 3.31Å; C167-N171 WeakPolarHBondContact O-CA 3.37Å; C167-N171 PolarHBondContact O-N 3.27Å; C167-R172 PolarHBondContact N-O 3.09Å; C167-R172 PolarHBondContact O-N 2.99Å; C167-F177 HydrophobicContact CB-CE2 3.95Å; C167-C187 VanDerWaalsContact CB-SG 3.56Å; C167-C187 PolarHBondContact SG-SG 3.16Å
168R91.1Very high94.8Very high225 Ų22535.6 Ų35.685%0.84917%0.165SC*.THydrogen-bonded Turntrans-62.1-36.7178.6-65.8-179.2-179.7168.7-2112.2N171R168-N171 PolarHBondContact O-N 2.93Å
169V87.1Confident94.8Very high51 Ų5136.5 Ų36.531%0.30917%0.169SC..THydrogen-bonded Turntrans-63.4-52.7178.9-178.60000111H64 C167 N171 H180H64-V169 HydrophobicContact CB-CG1 3.71Å; H64-V169 WeakPolarHBondContact O-CG1 3.45Å; C167-V169 VanDerWaalsContact C-N 3.28Å; C167-V169 PolarHBondContact O-N 2.83Å; V169-N171 PolarHBondContact O-N 3.29Å; V169-H180 VanDerWaalsContact CG1-CE1 3.41Å; V169-H180 WeakPolarHBondContact CG1-CE1 3.32Å; V169-H180 WeakPolarHBondContact CG1-NE2 3.4Å
170C89.3Confident94.8Very high19 Ų1934.3 Ų34.313%0.12816%0.157CC..THydrogen-bonded Turntrans-81.6-0.1178.5-71.50000114.2C167 R172 H180 C187C167-C170 HydrophobicContact CB-CB 4.14Å; C167-C170 PolarHBondContact O-N 3.49Å; C167-C170 PolarHBondContact SG-N 3.46Å; C167-C170 VanDerWaalsContact SG-N 3.43Å; C170-R172 VanDerWaalsContact C-N 3.27Å; C170-R172 HydrophobicContact CB-CG 4.05Å; C170-R172 PolarHBondContact O-N 3.31Å; C170-R172 PolarHBondContact O-NE 2.9Å; C170-H180 VanDerWaalsContact SG-CE1 3.51Å; C170-H180 PolarHBondContact SG-ND1 3.29Å; C170-C187 PolarHBondContact SG-SG 3.45Å
171N91.9Very high94.7Very high108 Ų10832.1 Ų32.158%0.57815%0.148SC*.THydrogen-bonded Turntrans40.348.2-172.8-165.321.3000114.5T155 H166 C167 R168 V169T155-N171 WeakPolarHBondContact CG2-OD1 3.22Å; H166-N171 PolarHBondContact CE1-OD1 3.49Å; C167-N171 VanDerWaalsContact O-CA 3.31Å; C167-N171 WeakPolarHBondContact O-CA 3.37Å; C167-N171 PolarHBondContact O-N 3.27Å; R168-N171 PolarHBondContact O-N 2.93Å; V169-N171 PolarHBondContact O-N 3.29Å
172R93.5Very high94.4Very high48 Ų4834.4 Ų34.418%0.18116%0.162CC..EExtended strand (participates in β ladder)trans-153.3152.8-179.274.4-175.695.4162.211.9112.6T127 C167 C170 V174T127-R172 HydrophobicContact CG2-CB 4.18Å; T127-R172 HydrophobicContact CG2-CG 4.32Å; T127-R172 VanDerWaalsContact OG1-CD 3.23Å; T127-R172 WeakPolarHBondContact OG1-CD 3.22Å; T127-R172 PolarHBondContact OG1-NH1 3.25Å; C167-R172 PolarHBondContact N-O 3.09Å; C167-R172 PolarHBondContact O-N 2.99Å; C170-R172 VanDerWaalsContact C-N 3.27Å; C170-R172 HydrophobicContact CB-CG 4.05Å; C170-R172 PolarHBondContact O-N 3.31Å; C170-R172 PolarHBondContact O-NE 2.9Å; R172-V174 HydrophobicContact CG-CG2 3.99Å
173C97.3Very high94.1Very high0 Ų042.9 Ų42.90%019%0.194CC..EExtended strand (participates in β ladder)trans-77.5136.2166.3-77.70000110.6T127 V128 C153 L158 K165T127-C173 CarbonylContact C-O 3.38Å; T127-C173 WeakPolarHBondContact CA-O 3.27Å; V128-C173 HydrophobicContact CB-CB 3.81Å; V128-C173 HydrophobicContact CG2-CB 4.31Å; V128-C173 PolarHBondContact N-O 2.89Å; C153-C173 PolarHBondContact SG-SG 3.29Å; L158-C173 HydrophobicContact CD1-CB 4.41Å; L158-C173 HydrophobicContact CD2-CB 4.39Å; K165-C173 WeakPolarHBondContact O-CA 3.44Å
174V97.2Very high93.9Very high0 Ų042.9 Ų42.90%019%0.194CC..EExtended strand (participates in β ladder)trans-123.3134.1178.2178.20000108.8P125 S164 K165 R172 F177 C187P125-V174 HydrophobicContact CB-CG1 3.95Å; P125-V174 HydrophobicContact CG-CG1 4.16Å; P125-V174 HydrophobicContact CG-CG2 4.19Å; S164-V174 WeakPolarHBondContact CA-O 3.25Å; S164-V174 VanDerWaalsContact CB-O 3.31Å; S164-V174 WeakPolarHBondContact CB-O 3.45Å; K165-V174 PolarHBondContact N-O 3.35Å; K165-V174 VanDerWaalsContact N-O 3.1Å; K165-V174 PolarHBondContact O-N 3.35Å; R172-V174 HydrophobicContact CG-CG2 3.99Å; V174-F177 HydrophobicContact CB-CB 4.27Å; V174-F177 HydrophobicContact CB-CD2 3.85Å; V174-F177 HydrophobicContact CG1-CB 4.4Å; V174-F177 HydrophobicContact CG1-CD2 4.19Å; V174-F177 HydrophobicContact CG2-CD2 4.33Å; V174-C187 HydrophobicContact CG1-CB 4.46Å; V174-C187 HydrophobicContact CG2-CB 3.95Å
175H96.4Very high93.7Very high6 Ų642.8 Ų42.83%0.02819%0.193CC..THydrogen-bonded Turntrans-78.8142.1177.7-171.749.4000111.2G126 V128 L136 Y140 F177 A190G126-H175 WeakPolarHBondContact O-CB 3.38Å; G126-H175 PolarHBondContact O-N 3.2Å; V128-H175 HydrophobicContact CG2-CB 3.86Å; L136-H175 HydrophobicContact CD1-CB 4.44Å; Y140-H175 AromaticContact CD2-CE1 3.5Å; Y140-H175 VanDerWaalsContact CD2-CE1 3.5Å; Y140-H175 WeakPolarHBondContact CD2-CE1 3.42Å; Y140-H175 AromaticContact CD2-NE2 3.76Å; Y140-H175 AromaticContact CE2-CE1 3.57Å; Y140-H175 AromaticContact CE2-NE2 3.37Å; Y140-H175 WeakPolarHBondContact CE2-NE2 3.4Å; H175-F177 PolarHBondContact O-N 2.97Å; H175-A190 HydrophobicContact CB-CB 4.47Å; H175-A190 PolarHBondContact O-N 2.92Å
176R96.4Very high93.5Very high4 Ų439.1 Ų39.12%0.01518%0.177CC..THydrogen-bonded Turntrans43.752.2-171.9-163.3-176.7-178.1-84.2-4.5110.7Y140 R163 D178 G189 A190 N286 T288 E332 I333Y140-R176 HydrophobicContact CE2-CB 4.43Å; Y140-R176 WeakPolarHBondContact OH-CD 3.29Å; R163-R176 CarbonylContact O-C 3.53Å; R163-R176 WeakPolarHBondContact O-CA 3.24Å; R163-R176 PolarHBondContact O-N 3.11Å; R176-D178 PolarHBondContact O-N 3.15Å; R176-G189 WeakPolarHBondContact O-CA 3.39Å; R176-A190 HydrophobicContact CB-CB 3.76Å; R176-A190 PolarHBondContact O-N 3.34Å; R176-N286 PolarHBondContact NH2-OD1 3.42Å; R176-T288 HydrophobicContact CG-CG2 4.01Å; R176-E332 IonicContact CZ-OE1 3.81Å; R176-E332 IonicContact NE-OE1 2.94Å; R176-E332 PolarHBondContact NE-OE1 2.9Å; R176-E332 IonicContact NH2-OE1 3.91Å; R176-I333 VanDerWaalsContact NH2-CD1 3.25Å
177F97.7Very high93.5Very high10 Ų1037.8 Ų37.84%0.04417%0.171CC..  trans-66.3126.1-172.1172.8-90000110R163 K165 C167 V174 H175 H179 C187 N290R163-F177 PolarHBondContact O-N 3.25Å; K165-F177 HydrophobicContact CB-CB 3.78Å; K165-F177 HydrophobicContact CB-CD1 3.74Å; K165-F177 HydrophobicContact CB-CE1 4.46Å; K165-F177 HydrophobicContact CB-CG 3.76Å; K165-F177 HydrophobicContact CD-CD1 3.62Å; K165-F177 HydrophobicContact CD-CE1 3.66Å; K165-F177 HydrophobicContact CD-CG 4.44Å; K165-F177 HydrophobicContact CD-CZ 4.48Å; K165-F177 HydrophobicContact CG-CD1 4.13Å; K165-F177 HydrophobicContact CG-CE1 4.38Å; K165-F177 HydrophobicContact CG-CG 4.49Å; C167-F177 HydrophobicContact CB-CE2 3.95Å; V174-F177 HydrophobicContact CB-CB 4.27Å; V174-F177 HydrophobicContact CB-CD2 3.85Å; V174-F177 HydrophobicContact CG1-CB 4.4Å; V174-F177 HydrophobicContact CG1-CD2 4.19Å; V174-F177 HydrophobicContact CG2-CD2 4.33Å; H175-F177 PolarHBondContact O-N 2.97Å; F177-H179 VanDerWaalsContact CZ-C 3.48Å; F177-H179 VanDerWaalsContact CZ-CA 3.5Å; F177-C187 HydrophobicContact CE2-CB 4.32Å; F177-N290 HydrophobicContact CD1-CB 3.89Å; F177-N290 HydrophobicContact CE1-CB 4.19Å
178D97.8Very high93.6Very high8 Ų837.5 Ų37.54%0.04317%0.169CC..  trans-94.4-72.8174.5-161.975.7000110.7R176 V188 H279 T288 S289 N290R176-D178 PolarHBondContact O-N 3.15Å; D178-V188 HydrophobicContact CB-CB 4.24Å; D178-V188 HydrophobicContact CB-CG1 4.15Å; D178-V188 WeakPolarHBondContact CB-O 3.43Å; D178-V188 PolarHBondContact N-O 3.43Å; D178-H279 IonicContact OD2-CE1 2.66Å; D178-H279 PolarHBondContact OD2-CE1 3.21Å; D178-T288 HydrophobicContact CB-CG2 4.45Å; D178-T288 WeakPolarHBondContact OD1-CA 3.37Å; D178-T288 WeakPolarHBondContact OD1-CB 3.42Å; D178-S289 PolarHBondContact O-OG 3.08Å; D178-S289 PolarHBondContact OD1-N 3.19Å; D178-S289 PolarHBondContact OD1-OG 3.46Å; D178-S289 WeakPolarHBondContact OD2-CB 3.49Å; D178-S289 PolarHBondContact OD2-OG 3.43Å; D178-N290 WeakPolarHBondContact O-CB 3.42Å; D178-N290 PolarHBondContact O-N 3.33Å
179H95.9Very high93.9Very high31 Ų3126.8 Ų26.814%0.14413%0.128CC..EExtended strand (participates in β ladder)trans-155.3169.3176.162.8-73.9000110.9F177 C181 C187 V188 F196 Y275 H279F177-H179 VanDerWaalsContact CZ-C 3.48Å; F177-H179 VanDerWaalsContact CZ-CA 3.5Å; H179-C181 WeakPolarHBondContact NE2-CB 3.44Å; H179-C187 WeakPolarHBondContact O-CA 3.38Å; H179-V188 PolarHBondContact N-O 3Å; H179-V188 PolarHBondContact O-N 3.34Å; H179-F196 AromaticContact CE1-CE1 3.69Å; H179-F196 AromaticContact CE1-CZ 3.67Å; H179-F196 AromaticContact NE2-CZ 3.71Å; H179-Y275 PolarHBondContact CE1-OH 2.8Å; H179-Y275 PolarHBondContact NE2-OH 2.78Å; H179-Y275 VanDerWaalsContact NE2-OH 3.13Å; H179-H279 AromaticContact CE1-CE1 3.77Å
180H93.9Very high94.3Very high37 Ų3724.7 Ų24.717%0.17112%0.116CC..EExtended strand (participates in β ladder)trans-90.9124.2161.4178.386.9000107.9V169 C170V169-H180 VanDerWaalsContact CG1-CE1 3.41Å; V169-H180 WeakPolarHBondContact CG1-CE1 3.32Å; V169-H180 WeakPolarHBondContact CG1-NE2 3.4Å; C170-H180 VanDerWaalsContact SG-CE1 3.51Å; C170-H180 PolarHBondContact SG-ND1 3.29Å
181C93.1Very high94.7Very high7 Ų729.2 Ų29.25%0.04713%0.131CC..EExtended strand (participates in β ladder)trans-111.1112.1-178-174.80000109.6H179 W183 V184 N185 N186 V188H179-C181 WeakPolarHBondContact NE2-CB 3.44Å; C181-W183 PolarHBondContact O-N 3.35Å; C181-V184 HydrophobicContact CB-CG2 3.58Å; C181-V184 PolarHBondContact O-N 2.89Å; C181-N185 PolarHBondContact O-N 3.48Å; C181-N185 VanDerWaalsContact O-N 3.08Å; C181-N186 PolarHBondContact N-O 2.98Å; C181-N186 PolarHBondContact O-N 3.2Å; C181-V188 HydrophobicContact CB-CG2 4.11Å
182V88.8Confident94.9Very high50 Ų5024.1 Ų24.130%0.30310%0.103SC..G310 helixtrans-63-30.7177.4-63.40000111.8F70 V184 N185F70-V182 WeakPolarHBondContact CZ-O 3.35Å; V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 PolarHBondContact O-N 3.37Å; V182-N185 PolarHBondContact O-N 3.13Å; V182-N185 VanDerWaalsContact O-N 3.15Å
183W88.9Confident95.1Very high179 Ų17922.3 Ų22.368%0.67810%0.097SC*.G310 helixtrans-71.6-18-179-57.7110.7000114.2F70 F117 C181F70-W183 WeakPolarHBondContact CE1-O 3.33Å; F70-W183 WeakPolarHBondContact CZ-O 3.28Å; F117-W183 WeakPolarHBondContact CE2-O 3.42Å; C181-W183 PolarHBondContact O-N 3.35Å
184V92Very high95.2Very high0 Ų025.5 Ų25.50%011%0.11CC..G310 helixtrans-117.411.5171-61.20000111.5F117 C120 I121 C181 V182 N186 Y199F117-V184 HydrophobicContact CD2-CG1 4.22Å; F117-V184 HydrophobicContact CE2-CG1 4.32Å; C120-V184 HydrophobicContact CB-CG1 4.5Å; I121-V184 HydrophobicContact CG1-CB 4Å; I121-V184 VanDerWaalsContact CG1-O 3.27Å; I121-V184 WeakPolarHBondContact CG1-O 3.49Å; C181-V184 HydrophobicContact CB-CG2 3.58Å; C181-V184 PolarHBondContact O-N 2.89Å; V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 PolarHBondContact O-N 3.37Å; V184-N186 HydrophobicContact CG2-CB 4.21Å; V184-N186 VanDerWaalsContact O-CB 3.25Å; V184-N186 WeakPolarHBondContact O-CB 3.27Å; V184-N186 PolarHBondContact O-N 3.49Å; V184-Y199 HydrophobicContact CG1-CD1 4.39Å; V184-Y199 HydrophobicContact CG1-CE1 4.19Å
185N90.9Very high95.2Very high4 Ų427.5 Ų27.52%0.02112%0.117CC..THydrogen-bonded Turntrans39.943.9-177.2-167.1-2.7000113L62 Q65 R66 S67 F70 C181 V182L62-N185 PolarHBondContact O-ND2 3.33Å; L62-N185 VanDerWaalsContact O-ND2 3.14Å; Q65-N185 VanDerWaalsContact C-OD1 3.3Å; Q65-N185 PolarHBondContact O-ND2 2.8Å; Q65-N185 PolarHBondContact O-OD1 2.59Å; Q65-N185 VanDerWaalsContact O-OD1 3.05Å; R66-N185 WeakPolarHBondContact CG-O 3.14Å; S67-N185 PolarHBondContact N-ND2 3.44Å; F70-N185 HydrophobicContact CB-CB 4.33Å; F70-N185 HydrophobicContact CD1-CB 3.69Å; F70-N185 HydrophobicContact CD2-CB 4.1Å; F70-N185 HydrophobicContact CE1-CB 3.97Å; F70-N185 HydrophobicContact CE2-CB 4.35Å; F70-N185 HydrophobicContact CG-CB 3.77Å; F70-N185 HydrophobicContact CZ-CB 4.29Å; C181-N185 PolarHBondContact O-N 3.48Å; C181-N185 VanDerWaalsContact O-N 3.08Å; V182-N185 PolarHBondContact O-N 3.13Å; V182-N185 VanDerWaalsContact O-N 3.15Å
186N93Very high95.3Very high0 Ų027.3 Ų27.30%012%0.116CC..EExtended strand (participates in β ladder)trans-158.4156.6-171.9-165.513.4000111.3R66 C120 I121 T123 C181 V184 N192R66-N186 PolarHBondContact NE-OD1 2.84Å; R66-N186 PolarHBondContact NH2-ND2 2.97Å; R66-N186 PolarHBondContact NH2-OD1 3.33Å; C120-N186 PolarHBondContact O-ND2 3.45Å; I121-N186 PolarHBondContact O-ND2 3.37Å; I121-N186 VanDerWaalsContact O-ND2 3.16Å; T123-N186 PolarHBondContact O-ND2 3.42Å; C181-N186 PolarHBondContact N-O 2.98Å; C181-N186 PolarHBondContact O-N 3.2Å; V184-N186 HydrophobicContact CG2-CB 4.21Å; V184-N186 VanDerWaalsContact O-CB 3.25Å; V184-N186 WeakPolarHBondContact O-CB 3.27Å; V184-N186 PolarHBondContact O-N 3.49Å; N186-N192 PolarHBondContact ND2-ND2 2.96Å
187C95.5Very high95.4Very high0 Ų027.6 Ų27.60%012%0.118CC..EExtended strand (participates in β ladder)trans-70.6146.2162.5-66.30000110.2P125 C167 C170 V174 F177 H179 N192P125-C187 HydrophobicContact CB-CB 4.13Å; P125-C187 WeakPolarHBondContact CB-O 3.29Å; P125-C187 HydrophobicContact CG-CB 3.99Å; C167-C187 VanDerWaalsContact CB-SG 3.56Å; C167-C187 PolarHBondContact SG-SG 3.16Å; C170-C187 PolarHBondContact SG-SG 3.45Å; V174-C187 HydrophobicContact CG1-CB 4.46Å; V174-C187 HydrophobicContact CG2-CB 3.95Å; F177-C187 HydrophobicContact CE2-CB 4.32Å; H179-C187 WeakPolarHBondContact O-CA 3.38Å; C187-N192 PolarHBondContact O-ND2 3.04Å
188V98.1Very high95.4Very high0 Ų029.4 Ų29.40%013%0.128CC..EExtended strand (participates in β ladder)trans-99125.8163.4-176.80000107.2D178 H179 C181 N192 F196D178-V188 HydrophobicContact CB-CB 4.24Å; D178-V188 HydrophobicContact CB-CG1 4.15Å; D178-V188 WeakPolarHBondContact CB-O 3.43Å; D178-V188 PolarHBondContact N-O 3.43Å; H179-V188 PolarHBondContact N-O 3Å; H179-V188 PolarHBondContact O-N 3.34Å; C181-V188 HydrophobicContact CB-CG2 4.11Å; V188-N192 WeakPolarHBondContact CA-OD1 3.41Å; V188-F196 HydrophobicContact CG1-CB 4Å; V188-F196 HydrophobicContact CG1-CD1 4.05Å; V188-F196 HydrophobicContact CG1-CG 4.01Å; V188-F196 HydrophobicContact CG2-CB 4.32Å; V188-F196 HydrophobicContact CG2-CD1 4.28Å; V188-F196 HydrophobicContact CG2-CD2 3.75Å; V188-F196 HydrophobicContact CG2-CE2 4.08Å; V188-F196 HydrophobicContact CG2-CG 3.85Å; V188-F196 HydrophobicContact CG2-CZ 4.45Å
189G97.5Very high95.4Very high0 Ų030.1 Ų30.10%013%0.13CC..  trans-157.6-168.1-178.300000111.9P125 R176 R191 N192 T193P125-G189 CarbonylContact O-C 3.6Å; P125-G189 WeakPolarHBondContact O-CA 3.4Å; R176-G189 WeakPolarHBondContact O-CA 3.39Å; G189-R191 PolarHBondContact O-N 3.45Å; G189-N192 PolarHBondContact N-OD1 3.45Å; G189-N192 PolarHBondContact O-N 3.08Å; G189-N192 VanDerWaalsContact O-N 3.14Å; G189-N192 PolarHBondContact O-OD1 2.87Å; G189-T193 PolarHBondContact O-N 2.93Å; G189-T193 VanDerWaalsContact O-N 3.08Å; G189-T193 PolarHBondContact O-OG1 3.3Å
190A96.1Very high95.5Very high7 Ų728.9 Ų28.96%0.05813%0.125CC..THydrogen-bonded Turntrans-40.2-44.1-170.300000115P125 H175 R176 P336P125-A190 PolarHBondContact O-N 3.48Å; P125-A190 VanDerWaalsContact O-N 3.09Å; H175-A190 HydrophobicContact CB-CB 4.47Å; H175-A190 PolarHBondContact O-N 2.92Å; R176-A190 HydrophobicContact CB-CB 3.76Å; R176-A190 PolarHBondContact O-N 3.34Å; A190-P336 VanDerWaalsContact O-CB 3.31Å; A190-P336 WeakPolarHBondContact O-CB 3.26Å; A190-P336 WeakPolarHBondContact O-CG 3.33Å
191R96.1Very high95.7Very high115 Ų11531.3 Ų31.343%0.43414%0.139SC..THydrogen-bonded Turntrans-95.5-13-167.4-62.7-175.776.1-174.84115.1D124 P125 G189D124-R191 VanDerWaalsContact O-CB 3.22Å; D124-R191 WeakPolarHBondContact O-CB 3.28Å; P125-R191 PolarHBondContact O-N 2.8Å; G189-R191 PolarHBondContact O-N 3.45Å
192N97.6Very high96Very high0 Ų031.4 Ų31.40%014%0.139CC..THydrogen-bonded Turntrans-125-0.4-178.971.3-17.6000114.6C120 T123 N186 C187 V188 G189 R194 Y195 F196C120-N192 PolarHBondContact O-ND2 3.38Å; T123-N192 HydrophobicContact CG2-CB 3.96Å; N186-N192 PolarHBondContact ND2-ND2 2.96Å; C187-N192 PolarHBondContact O-ND2 3.04Å; V188-N192 WeakPolarHBondContact CA-OD1 3.41Å; G189-N192 PolarHBondContact N-OD1 3.45Å; G189-N192 PolarHBondContact O-N 3.08Å; G189-N192 VanDerWaalsContact O-N 3.14Å; G189-N192 PolarHBondContact O-OD1 2.87Å; N192-R194 VanDerWaalsContact C-N 3.26Å; N192-R194 PolarHBondContact O-N 3.5Å; N192-Y195 HydrophobicContact CB-CD2 4.28Å; N192-Y195 PolarHBondContact O-N 3.47Å; N192-Y195 VanDerWaalsContact O-N 3.13Å; N192-F196 PolarHBondContact O-N 2.89Å
193T97.6Very high96.4Very high10 Ų1029.7 Ų29.76%0.06113%0.129CC..Hα-helixtrans-55-39175-58.20000112.7G189 Y195 F196 L197 I333G189-T193 PolarHBondContact O-N 2.93Å; G189-T193 VanDerWaalsContact O-N 3.08Å; G189-T193 PolarHBondContact O-OG1 3.3Å; T193-Y195 PolarHBondContact O-N 3.28Å; T193-F196 WeakPolarHBondContact O-CB 3.38Å; T193-F196 PolarHBondContact O-N 2.84Å; T193-L197 HydrophobicContact CG2-CD1 4.35Å; T193-L197 HydrophobicContact CG2-CG 4.42Å; T193-L197 WeakPolarHBondContact O-CG 3.47Å; T193-L197 PolarHBondContact O-N 2.94Å; T193-I333 HydrophobicContact CG2-CD1 4.01Å; T193-I333 HydrophobicContact CG2-CG2 4.4Å
194R97.7Very high96.8Very high68 Ų6821.8 Ų21.826%0.25710%0.101SC..Hα-helixtrans-58.4-44.417665.7-170.5-177.7-179.71.8113.3N192 F196 L197 L198 F334N192-R194 VanDerWaalsContact C-N 3.26Å; N192-R194 PolarHBondContact O-N 3.5Å; R194-F196 VanDerWaalsContact C-N 3.32Å; R194-L197 PolarHBondContact O-N 3.38Å; R194-L198 VanDerWaalsContact O-CG 3.3Å; R194-L198 WeakPolarHBondContact O-CG 3.4Å; R194-L198 PolarHBondContact O-N 3.38Å; R194-F334 HydrophobicContact CB-CD1 4.04Å; R194-F334 HydrophobicContact CB-CE1 4.42Å; R194-F334 WeakPolarHBondContact CD-O 3.43Å; R194-F334 PolarHBondContact NH1-O 3.49Å
195Y98.4Very high97Very high41 Ų4123 Ų2316%0.16111%0.113CC..Hα-helixtrans-69.8-35.8179.4-56.9-52.3000110.9F116 L119 T123 N192 T193 Y199F116-Y195 HydrophobicContact CD1-CD1 4.25Å; L119-Y195 HydrophobicContact CB-CD1 3.86Å; L119-Y195 HydrophobicContact CB-CD2 4.08Å; L119-Y195 HydrophobicContact CB-CE1 4.18Å; L119-Y195 HydrophobicContact CB-CE2 4.39Å; L119-Y195 HydrophobicContact CB-CG 3.79Å; L119-Y195 HydrophobicContact CD1-CD1 3.76Å; L119-Y195 HydrophobicContact CD1-CE1 3.54Å; L119-Y195 HydrophobicContact CG-CD1 4.49Å; L119-Y195 HydrophobicContact CG-CE1 4.46Å; T123-Y195 HydrophobicContact CG2-CD2 4.37Å; T123-Y195 HydrophobicContact CG2-CE2 4.06Å; T123-Y195 WeakPolarHBondContact OG1-CE2 3.42Å; N192-Y195 HydrophobicContact CB-CD2 4.28Å; N192-Y195 PolarHBondContact O-N 3.47Å; N192-Y195 VanDerWaalsContact O-N 3.13Å; T193-Y195 PolarHBondContact O-N 3.28Å; Y195-Y199 WeakPolarHBondContact O-CB 3.47Å; Y195-Y199 PolarHBondContact O-N 2.89Å
196F98.3Very high97.3Very high2 Ų223.8 Ų23.81%0.00912%0.117CC..Hα-helixtrans-62.3-45174-175.2-107.7000112.2H179 V188 N192 T193 R194 Y199 L200 Y275 H279H179-F196 AromaticContact CE1-CE1 3.69Å; H179-F196 AromaticContact CE1-CZ 3.67Å; H179-F196 AromaticContact NE2-CZ 3.71Å; V188-F196 HydrophobicContact CG1-CB 4Å; V188-F196 HydrophobicContact CG1-CD1 4.05Å; V188-F196 HydrophobicContact CG1-CG 4.01Å; V188-F196 HydrophobicContact CG2-CB 4.32Å; V188-F196 HydrophobicContact CG2-CD1 4.28Å; V188-F196 HydrophobicContact CG2-CD2 3.75Å; V188-F196 HydrophobicContact CG2-CE2 4.08Å; V188-F196 HydrophobicContact CG2-CG 3.85Å; V188-F196 HydrophobicContact CG2-CZ 4.45Å; N192-F196 PolarHBondContact O-N 2.89Å; T193-F196 WeakPolarHBondContact O-CB 3.38Å; T193-F196 PolarHBondContact O-N 2.84Å; R194-F196 VanDerWaalsContact C-N 3.32Å; F196-Y199 HydrophobicContact CD2-CD1 4.46Å; F196-Y199 WeakPolarHBondContact O-CB 3.33Å; F196-Y199 PolarHBondContact O-N 3.05Å; F196-L200 HydrophobicContact CD1-CD1 4.04Å; F196-L200 HydrophobicContact CE1-CD1 3.5Å; F196-L200 HydrophobicContact CE1-CG 4.19Å; F196-L200 HydrophobicContact CZ-CD1 3.85Å; F196-L200 HydrophobicContact CZ-CD2 4.43Å; F196-L200 HydrophobicContact CZ-CG 4.21Å; F196-L200 WeakPolarHBondContact O-CG 3.29Å; F196-L200 PolarHBondContact O-N 3.32Å; F196-Y275 HydrophobicContact CE1-CE1 4.31Å; F196-Y275 AromaticContact CZ-CE1 3.79Å; F196-Y275 HydrophobicContact CZ-CE1 3.79Å; F196-H279 AromaticContact CE1-CE1 3.95Å; F196-H279 AromaticContact CE1-NE2 3.93Å
197L98.1Very high97.5Very high11 Ų1124.3 Ų24.36%0.05812%0.121CC..Hα-helixtrans-64.6-45.1176.4-70.8175.3000112.3T193 R194 Y199 L200 L201 H279 A283 I333T193-L197 HydrophobicContact CG2-CD1 4.35Å; T193-L197 HydrophobicContact CG2-CG 4.42Å; T193-L197 WeakPolarHBondContact O-CG 3.47Å; T193-L197 PolarHBondContact O-N 2.94Å; R194-L197 PolarHBondContact O-N 3.38Å; L197-Y199 VanDerWaalsContact C-N 3.31Å; L197-Y199 PolarHBondContact O-N 3.44Å; L197-L200 PolarHBondContact O-N 2.96Å; L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 3.49Å; L197-H279 HydrophobicContact CD2-CB 3.73Å; L197-A283 HydrophobicContact CD1-CB 3.91Å; L197-I333 HydrophobicContact CD1-CG2 3.56Å
198L98.4Very high97.5Very high47 Ų4728 Ų2825%0.24614%0.141CC..Hα-helixtrans-65.6-35.8177.6-67.2170.4000111.9F116 R194 S202 F334F116-L198 HydrophobicContact CB-CB 4.4Å; F116-L198 HydrophobicContact CD1-CB 3.79Å; F116-L198 HydrophobicContact CD1-CD1 3.98Å; F116-L198 HydrophobicContact CD2-CB 3.75Å; F116-L198 HydrophobicContact CE1-CB 3.94Å; F116-L198 HydrophobicContact CE1-CD1 3.43Å; F116-L198 VanDerWaalsContact CE1-CD1 3.43Å; F116-L198 HydrophobicContact CE1-CG 4.29Å; F116-L198 HydrophobicContact CE2-CB 3.86Å; F116-L198 HydrophobicContact CE2-CD1 4.41Å; F116-L198 HydrophobicContact CG-CB 3.72Å; F116-L198 HydrophobicContact CZ-CB 3.97Å; F116-L198 HydrophobicContact CZ-CD1 3.69Å; F116-L198 HydrophobicContact CZ-CG 4.29Å; R194-L198 VanDerWaalsContact O-CG 3.3Å; R194-L198 WeakPolarHBondContact O-CG 3.4Å; R194-L198 PolarHBondContact O-N 3.38Å; L198-S202 WeakPolarHBondContact O-CB 3.38Å; L198-S202 PolarHBondContact O-N 2.83Å; L198-S202 PolarHBondContact O-OG 3.05Å; L198-F334 HydrophobicContact CD1-CE1 4.11Å; L198-F334 HydrophobicContact CD2-CE1 4.23Å; L198-F334 HydrophobicContact CG-CE1 4.22Å
199Y98.3Very high97.4Very high23 Ų2328.7 Ų28.79%0.0915%0.146CC..Hα-helixtrans-61.1-47.1170.3165.3-112000111.7K113 F117 V184 Y195 F196 L197 S202 V203K113-Y199 HydrophobicContact CD-CD2 4.43Å; K113-Y199 HydrophobicContact CD-CE2 4.03Å; K113-Y199 HydrophobicContact CG-CD2 4.18Å; K113-Y199 HydrophobicContact CG-CE2 4.09Å; F117-Y199 HydrophobicContact CB-CD2 3.77Å; F117-Y199 HydrophobicContact CB-CE2 3.91Å; F117-Y199 HydrophobicContact CD2-CD2 4.37Å; F117-Y199 AromaticContact CD2-CE2 3.88Å; F117-Y199 HydrophobicContact CD2-CE2 3.88Å; F117-Y199 HydrophobicContact CG-CE2 4.33Å; V184-Y199 HydrophobicContact CG1-CD1 4.39Å; V184-Y199 HydrophobicContact CG1-CE1 4.19Å; Y195-Y199 WeakPolarHBondContact O-CB 3.47Å; Y195-Y199 PolarHBondContact O-N 2.89Å; F196-Y199 HydrophobicContact CD2-CD1 4.46Å; F196-Y199 WeakPolarHBondContact O-CB 3.33Å; F196-Y199 PolarHBondContact O-N 3.05Å; L197-Y199 VanDerWaalsContact C-N 3.31Å; L197-Y199 PolarHBondContact O-N 3.44Å; Y199-S202 WeakPolarHBondContact CA-OG 3.23Å; Y199-S202 PolarHBondContact O-N 3Å; Y199-S202 PolarHBondContact O-OG 3.12Å; Y199-V203 WeakPolarHBondContact O-CG1 3.24Å; Y199-V203 PolarHBondContact O-N 3.05Å
200L98Very high97.3Very high5 Ų529.3 Ų29.33%0.02615%0.15CC..Hα-helixtrans-62.2-42.7177.4-76.7-175.6000112.9F196 L197 V203 C204 Y275 T276 H279F196-L200 HydrophobicContact CD1-CD1 4.04Å; F196-L200 HydrophobicContact CE1-CD1 3.5Å; F196-L200 HydrophobicContact CE1-CG 4.19Å; F196-L200 HydrophobicContact CZ-CD1 3.85Å; F196-L200 HydrophobicContact CZ-CD2 4.43Å; F196-L200 HydrophobicContact CZ-CG 4.21Å; F196-L200 WeakPolarHBondContact O-CG 3.29Å; F196-L200 PolarHBondContact O-N 3.32Å; L197-L200 PolarHBondContact O-N 2.96Å; L200-V203 VanDerWaalsContact O-CG1 3.24Å; L200-V203 WeakPolarHBondContact O-CG1 3.37Å; L200-C204 WeakPolarHBondContact O-CB 3.33Å; L200-C204 PolarHBondContact O-N 2.82Å; L200-C204 VanDerWaalsContact O-N 3.11Å; L200-C204 PolarHBondContact O-SG 3.36Å; L200-C204 VanDerWaalsContact O-SG 3.38Å; L200-Y275 HydrophobicContact CD1-CD1 3.93Å; L200-Y275 HydrophobicContact CD1-CE1 3.93Å; L200-Y275 HydrophobicContact CD2-CD1 3.82Å; L200-Y275 HydrophobicContact CD2-CE1 4.02Å; L200-T276 HydrophobicContact CB-CG2 4.16Å; L200-H279 HydrophobicContact CD1-CB 4.2Å
201L98.1Very high97.3Very high88 Ų8829.5 Ų29.546%0.46115%0.152SC..Hα-helixtrans-65.3-43.4176.6-71.3166.7000111.8L197 C204 G205 T276L197-L201 WeakPolarHBondContact O-CG 3.36Å; L197-L201 PolarHBondContact O-N 3.49Å; L201-C204 PolarHBondContact O-N 3.48Å; L201-G205 PolarHBondContact O-N 2.93Å; L201-T276 HydrophobicContact CD2-CG2 3.75Å; L201-T276 HydrophobicContact CG-CG2 4.18Å
202S98.1Very high97.2Very high9 Ų929.1 Ų29.16%0.06316%0.158CC..Hα-helixtrans-69.2-38.2179.851.90000113K113 L198 Y199 G205 M206K113-S202 WeakPolarHBondContact CA-OG 3.34Å; L198-S202 WeakPolarHBondContact O-CB 3.38Å; L198-S202 PolarHBondContact O-N 2.83Å; L198-S202 PolarHBondContact O-OG 3.05Å; Y199-S202 WeakPolarHBondContact CA-OG 3.23Å; Y199-S202 PolarHBondContact O-N 3Å; Y199-S202 PolarHBondContact O-OG 3.12Å; S202-G205 PolarHBondContact O-N 2.96Å; S202-M206 VanDerWaalsContact O-CB 3.29Å; S202-M206 WeakPolarHBondContact O-CB 3.23Å; S202-M206 PolarHBondContact O-N 3.41Å
203V96.6Very high97Very high14 Ų1429.8 Ų29.89%0.08516%0.162CC..Hα-helixtrans-67.1-38.217470.50000112K113 Y199 L200 M206 A207 L272K113-V203 HydrophobicContact CG-CB 4.09Å; Y199-V203 WeakPolarHBondContact O-CG1 3.24Å; Y199-V203 PolarHBondContact O-N 3.05Å; L200-V203 VanDerWaalsContact O-CG1 3.24Å; L200-V203 WeakPolarHBondContact O-CG1 3.37Å; V203-M206 HydrophobicContact CG2-CE 4.19Å; V203-M206 PolarHBondContact O-N 2.99Å; V203-A207 WeakPolarHBondContact O-CB 3.44Å; V203-A207 PolarHBondContact O-N 3.45Å; V203-L272 HydrophobicContact CG1-CD1 4.1Å; V203-L272 HydrophobicContact CG2-CD1 3.91Å
204C97.4Very high96.8Very high14 Ų1429.4 Ų29.410%0.09516%0.159CC..Hα-helixtrans-62.3-46.6172.4-78.10000111.6L200 L201 A207 L208 T276L200-C204 WeakPolarHBondContact O-CB 3.33Å; L200-C204 PolarHBondContact O-N 2.82Å; L200-C204 VanDerWaalsContact O-N 3.11Å; L200-C204 PolarHBondContact O-SG 3.36Å; L200-C204 VanDerWaalsContact O-SG 3.38Å; L201-C204 PolarHBondContact O-N 3.48Å; C204-A207 PolarHBondContact O-N 3.42Å; C204-L208 WeakPolarHBondContact O-CB 3.31Å; C204-L208 PolarHBondContact O-N 3.26Å; C204-T276 PolarHBondContact SG-OG1 3.31Å
205G97.7Very high96.6Very high25 Ų2528.2 Ų28.226%0.25816%0.164SC..Hα-helixtrans-62.2-43.1177.900000112.4L201 S202 L208 A209L201-G205 PolarHBondContact O-N 2.93Å; S202-G205 PolarHBondContact O-N 2.96Å; G205-L208 PolarHBondContact O-N 3.48Å; G205-A209 WeakPolarHBondContact O-CB 3.44Å; G205-A209 PolarHBondContact O-N 2.91Å
206M97Very high96.3Very high20 Ų2029.2 Ų29.210%0.09917%0.173CC..Hα-helixtrans-62.2-47.1176.7-175.1-172.871.400111.6F82 L109 L110 S202 V203 L208 A209 I210F82-M206 HydrophobicContact CE2-CE 4.41Å; F82-M206 HydrophobicContact CE2-CG 4.43Å; F82-M206 HydrophobicContact CE2-SD 3.77Å; F82-M206 HydrophobicContact CZ-CG 4.02Å; F82-M206 HydrophobicContact CZ-SD 3.8Å; L109-M206 HydrophobicContact CB-CB 3.96Å; L109-M206 HydrophobicContact CB-CG 4.3Å; L110-M206 HydrophobicContact CB-SD 4.31Å; L110-M206 HydrophobicContact CD1-SD 3.71Å; S202-M206 VanDerWaalsContact O-CB 3.29Å; S202-M206 WeakPolarHBondContact O-CB 3.23Å; S202-M206 PolarHBondContact O-N 3.41Å; V203-M206 HydrophobicContact CG2-CE 4.19Å; V203-M206 PolarHBondContact O-N 2.99Å; M206-L208 VanDerWaalsContact C-N 3.33Å; M206-L208 PolarHBondContact O-N 3.34Å; M206-A209 PolarHBondContact O-N 3.47Å; M206-I210 HydrophobicContact CG-CD1 4.11Å; M206-I210 WeakPolarHBondContact O-CG1 3.42Å; M206-I210 PolarHBondContact O-N 3.43Å
207A96.4Very high96Very high11 Ų1129.2 Ų29.29%0.09117%0.173CC..Hα-helixtrans-61.9-40.6177.200000112V203 C204 G211 V265 F269V203-A207 WeakPolarHBondContact O-CB 3.44Å; V203-A207 PolarHBondContact O-N 3.45Å; C204-A207 PolarHBondContact O-N 3.42Å; A207-G211 PolarHBondContact O-N 3.24Å; A207-V265 HydrophobicContact CB-CG1 4.39Å; A207-V265 VanDerWaalsContact O-CG1 3.29Å; A207-V265 WeakPolarHBondContact O-CG1 3.38Å; A207-F269 HydrophobicContact CB-CB 4.3Å; A207-F269 HydrophobicContact CB-CD2 4.3Å
208L96.9Very high95.7Very high78 Ų7829.3 Ų29.341%0.40817%0.173SC..Hα-helixtrans-62.9-46.4174.5-178.261.6000111.6C204 G205 M206 I210 G211 L212 F269C204-L208 WeakPolarHBondContact O-CB 3.31Å; C204-L208 PolarHBondContact O-N 3.26Å; G205-L208 PolarHBondContact O-N 3.48Å; M206-L208 VanDerWaalsContact C-N 3.33Å; M206-L208 PolarHBondContact O-N 3.34Å; L208-I210 PolarHBondContact O-N 3.42Å; L208-G211 PolarHBondContact O-N 3.47Å; L208-L212 HydrophobicContact CD1-CD1 4.01Å; L208-L212 HydrophobicContact CD1-CD2 4.48Å; L208-L212 HydrophobicContact CD1-CG 3.99Å; L208-L212 HydrophobicContact CG-CD1 3.9Å; L208-L212 HydrophobicContact CG-CG 4.28Å; L208-L212 WeakPolarHBondContact O-CB 3.14Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.32Å; L208-L212 PolarHBondContact O-N 3.41Å; L208-F269 HydrophobicContact CB-CD2 4.17Å; L208-F269 HydrophobicContact CB-CE2 3.8Å; L208-F269 HydrophobicContact CD1-CE2 4.28Å; L208-F269 HydrophobicContact CD1-CZ 4.21Å; L208-F269 HydrophobicContact CG-CE2 4.44Å
209A95.9Very high95.4Very high14 Ų1431.5 Ų31.512%0.11619%0.185CC..Hα-helixtrans-61.4-45.1179.400000112.2V105 P106 L109 G205 M206 L213V105-A209 HydrophobicContact CG1-CB 3.99Å; P106-A209 HydrophobicContact CG-CB 4.23Å; L109-A209 HydrophobicContact CD1-CB 3.77Å; G205-A209 WeakPolarHBondContact O-CB 3.44Å; G205-A209 PolarHBondContact O-N 2.91Å; M206-A209 PolarHBondContact O-N 3.47Å; A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 PolarHBondContact O-N 3.22Å
210I94.9Very high94.9Very high13 Ų1333.7 Ų33.77%0.06720%0.195CC..Hα-helixtrans-61.2-46.9174.7-68.7169.4000110.5F82 F85 P106 M206 L208 L213 T214 V265F82-I210 HydrophobicContact CE2-CD1 3.88Å; F82-I210 HydrophobicContact CZ-CD1 3.75Å; F85-I210 HydrophobicContact CD2-CG2 3.93Å; F85-I210 HydrophobicContact CE2-CB 4.44Å; F85-I210 HydrophobicContact CE2-CG1 4.38Å; F85-I210 HydrophobicContact CE2-CG2 3.83Å; F85-I210 HydrophobicContact CZ-CG1 4.43Å; P106-I210 HydrophobicContact CB-CG1 4.09Å; M206-I210 HydrophobicContact CG-CD1 4.11Å; M206-I210 WeakPolarHBondContact O-CG1 3.42Å; M206-I210 PolarHBondContact O-N 3.43Å; L208-I210 PolarHBondContact O-N 3.42Å; I210-L213 PolarHBondContact O-N 2.94Å; I210-T214 VanDerWaalsContact O-CB 3.29Å; I210-T214 WeakPolarHBondContact O-CB 3.39Å; I210-T214 PolarHBondContact O-N 3.13Å; I210-T214 PolarHBondContact O-OG1 2.77Å; I210-V265 HydrophobicContact CG2-CG1 4.36Å; I210-V265 HydrophobicContact CG2-CG2 4.21Å
211G94.9Very high94.5Very high11 Ų1134.5 Ų34.511%0.11320%0.203CC..Hα-helixtrans-61.5-45.7-179.800000112.7A207 L208 T214 A215A207-G211 PolarHBondContact O-N 3.24Å; L208-G211 PolarHBondContact O-N 3.47Å; G211-T214 PolarHBondContact O-N 3.3Å; G211-A215 VanDerWaalsContact O-CB 3.25Å; G211-A215 WeakPolarHBondContact O-CB 3.37Å; G211-A215 PolarHBondContact O-N 3.2Å
212L94.6Very high94.2Very high108 Ų10830.7 Ų30.757%0.56518%0.183SC*.Hα-helixtrans-64.3-47.3178.1-71.2175.4000111.8L208 T214 A215 D216L208-L212 HydrophobicContact CD1-CD1 4.01Å; L208-L212 HydrophobicContact CD1-CD2 4.48Å; L208-L212 HydrophobicContact CD1-CG 3.99Å; L208-L212 HydrophobicContact CG-CD1 3.9Å; L208-L212 HydrophobicContact CG-CG 4.28Å; L208-L212 WeakPolarHBondContact O-CB 3.14Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.32Å; L208-L212 PolarHBondContact O-N 3.41Å; L212-T214 VanDerWaalsContact C-N 3.33Å; L212-T214 PolarHBondContact O-N 2.95Å; L212-A215 PolarHBondContact O-N 3.19Å; L212-D216 VanDerWaalsContact O-CB 3.27Å; L212-D216 WeakPolarHBondContact O-CB 3.12Å; L212-D216 PolarHBondContact O-N 2.92Å
213L94.1Very high93.7Very high14 Ų1434.4 Ų34.47%0.07320%0.202CC..Hα-helixtrans-64-39.5179.3-177.958.7000111.8F85 C93 L103 P106 A209 I210 M217F85-L213 HydrophobicContact CZ-CD2 3.84Å; C93-L213 HydrophobicContact CB-CD1 4.5Å; L103-L213 HydrophobicContact CD2-CD1 4.3Å; L103-L213 HydrophobicContact CD2-CD2 3.9Å; P106-L213 HydrophobicContact CG-CD2 4.2Å; A209-L213 WeakPolarHBondContact O-CB 3.48Å; A209-L213 PolarHBondContact O-N 3.22Å; I210-L213 PolarHBondContact O-N 2.94Å; L213-M217 WeakPolarHBondContact O-CB 3.31Å; L213-M217 PolarHBondContact O-N 3.14Å
214T93.7Very high93.3Very high1 Ų140.9 Ų40.91%0.00623%0.225CC..Hα-helixtrans-69.3-40177.1-530000111.8V89 I210 G211 L212 M217 L218 I258 M261 L262V89-T214 HydrophobicContact CG2-CG2 4.27Å; I210-T214 VanDerWaalsContact O-CB 3.29Å; I210-T214 WeakPolarHBondContact O-CB 3.39Å; I210-T214 PolarHBondContact O-N 3.13Å; I210-T214 PolarHBondContact O-OG1 2.77Å; G211-T214 PolarHBondContact O-N 3.3Å; L212-T214 VanDerWaalsContact C-N 3.33Å; L212-T214 PolarHBondContact O-N 2.95Å; T214-M217 WeakPolarHBondContact O-CB 3.45Å; T214-M217 PolarHBondContact O-N 3.42Å; T214-L218 WeakPolarHBondContact O-CG 3.38Å; T214-L218 PolarHBondContact O-N 2.75Å; T214-I258 HydrophobicContact CG2-CG2 3.38Å; T214-M261 HydrophobicContact CG2-CE 3.89Å; T214-L262 HydrophobicContact CG2-CB 4.03Å; T214-L262 HydrophobicContact CG2-CD1 4.41Å; T214-L262 HydrophobicContact CG2-CD2 4.47Å
215A93.5Very high92.7Very high44 Ų4443.3 Ų43.336%0.36424%0.242SC..Hα-helixtrans-66.4-41.3176.300000111.8G211 L212 M217 L218 L219 L262G211-A215 VanDerWaalsContact O-CB 3.25Å; G211-A215 WeakPolarHBondContact O-CB 3.37Å; G211-A215 PolarHBondContact O-N 3.2Å; L212-A215 PolarHBondContact O-N 3.19Å; A215-M217 VanDerWaalsContact C-N 3.35Å; A215-L218 PolarHBondContact O-N 3.46Å; A215-L219 WeakPolarHBondContact O-CB 3.42Å; A215-L219 PolarHBondContact O-N 2.85Å; A215-L262 HydrophobicContact CB-CD2 4.35Å
216D91.7Very high92.1Very high62 Ų6243.9 Ų43.933%0.33225%0.248SC..Hα-helixtrans-60.3-44.4173.5-176.169.9000111.4L212 L218 L219 H220L212-D216 VanDerWaalsContact O-CB 3.27Å; L212-D216 WeakPolarHBondContact O-CB 3.12Å; L212-D216 PolarHBondContact O-N 2.92Å; D216-L218 PolarHBondContact O-N 3.47Å; D216-L219 PolarHBondContact O-N 2.69Å; D216-H220 PolarHBondContact O-CD2 3.36Å; D216-H220 PolarHBondContact O-N 3.16Å; D216-H220 IonicContact OD1-CD2 3.58Å; D216-H220 IonicContact OD1-NE2 3.67Å; D216-H220 IonicContact OD2-CD2 3.45Å
217M91.4Very high91.4Very high2 Ų243.6 Ų43.61%0.0125%0.247CC..Hα-helixtrans-57.4-49.4175.1-173.1-142.880.100112.1V89 F92 M96 L213 T214 A215 L219 H220 A221 I258V89-M217 HydrophobicContact CB-SD 4.41Å; V89-M217 HydrophobicContact CG1-SD 4.04Å; V89-M217 HydrophobicContact CG2-SD 4.39Å; F92-M217 HydrophobicContact CB-CG 4.16Å; F92-M217 HydrophobicContact CB-SD 3.91Å; F92-M217 HydrophobicContact CG-SD 4.5Å; M96-M217 HydrophobicContact CE-CB 3.92Å; M96-M217 HydrophobicContact CE-CG 3.29Å; L213-M217 WeakPolarHBondContact O-CB 3.31Å; L213-M217 PolarHBondContact O-N 3.14Å; T214-M217 WeakPolarHBondContact O-CB 3.45Å; T214-M217 PolarHBondContact O-N 3.42Å; A215-M217 VanDerWaalsContact C-N 3.35Å; M217-L219 VanDerWaalsContact C-N 3.35Å; M217-L219 PolarHBondContact O-N 2.97Å; M217-H220 PolarHBondContact O-N 2.99Å; M217-A221 PolarHBondContact O-N 3.29Å; M217-I258 HydrophobicContact CE-CD1 3.66Å; M217-I258 HydrophobicContact CE-CG2 3.82Å; M217-I258 HydrophobicContact SD-CD1 3.97Å
218L92.2Very high90.8Very high13 Ų1348.2 Ų48.27%0.06827%0.269CS..Hα-helixtrans-64.3-39.4178.2-70.1173.8000111.7T214 A215 D216 A221 V222 L251 F255 I258 V259 L262T214-L218 WeakPolarHBondContact O-CG 3.38Å; T214-L218 PolarHBondContact O-N 2.75Å; A215-L218 PolarHBondContact O-N 3.46Å; D216-L218 PolarHBondContact O-N 3.47Å; L218-A221 WeakPolarHBondContact O-CB 3.16Å; L218-A221 PolarHBondContact O-N 3.02Å; L218-V222 WeakPolarHBondContact O-CG2 3.29Å; L218-V222 PolarHBondContact O-N 3.46Å; L218-L251 HydrophobicContact CD2-CD2 4.13Å; L218-F255 HydrophobicContact CD2-CB 4.25Å; L218-F255 HydrophobicContact CD2-CD2 4.12Å; L218-F255 HydrophobicContact CD2-CG 4.37Å; L218-I258 HydrophobicContact CD1-CG2 4.41Å; L218-I258 HydrophobicContact CD2-CG2 4.15Å; L218-I258 HydrophobicContact CG-CG2 4.31Å; L218-V259 HydrophobicContact CD1-CG2 4.21Å; L218-V259 HydrophobicContact CD2-CG2 4.42Å; L218-L262 HydrophobicContact CD1-CD2 3.71Å
219L91.3Very high90.2Very high93 Ų9355.7 Ų55.749%0.48729%0.292SS..Hα-helixtrans-62.1-46.617617961.6000111A215 D216 M217 A221 V222 L223A215-L219 WeakPolarHBondContact O-CB 3.42Å; A215-L219 PolarHBondContact O-N 2.85Å; D216-L219 PolarHBondContact O-N 2.69Å; M217-L219 VanDerWaalsContact C-N 3.35Å; M217-L219 PolarHBondContact O-N 2.97Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.24Å; L219-V222 WeakPolarHBondContact O-CB 3.09Å; L219-V222 PolarHBondContact O-N 3.21Å; L219-V222 VanDerWaalsContact O-N 3.16Å; L219-L223 HydrophobicContact CD1-CD1 4.28Å; L219-L223 HydrophobicContact CD1-CG 4.3Å; L219-L223 HydrophobicContact CG-CD1 4.03Å; L219-L223 HydrophobicContact CG-CG 4.46Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.34Å; L219-L223 PolarHBondContact O-N 3.24Å
220H89.4Confident89.6Confident68 Ų6856.8 Ų56.832%0.31530%0.301SS..Hα-helixtrans-62.4-37.5175.9-89.1-70.6000112.6M96 D216 M217 V222 L223 R224M96-H220 HydrophobicContact CE-CB 4.25Å; M96-H220 HydrophobicContact SD-CB 3.59Å; M96-H220 VanDerWaalsContact SD-CB 3.59Å; D216-H220 PolarHBondContact O-CD2 3.36Å; D216-H220 PolarHBondContact O-N 3.16Å; D216-H220 IonicContact OD1-CD2 3.58Å; D216-H220 IonicContact OD1-NE2 3.67Å; D216-H220 IonicContact OD2-CD2 3.45Å; M217-H220 PolarHBondContact O-N 2.99Å; H220-V222 PolarHBondContact O-N 3.41Å; H220-L223 PolarHBondContact O-N 2.94Å; H220-R224 WeakPolarHBondContact O-CB 3.44Å; H220-R224 WeakPolarHBondContact O-CG 3.26Å; H220-R224 PolarHBondContact O-N 3.22Å
221A89.6Confident89.2Confident22 Ų2259.5 Ų59.518%0.18232%0.321CS..Hα-helixtrans-61.2-42.117300000112M217 L218 L219 S225 F255M217-A221 PolarHBondContact O-N 3.29Å; L218-A221 WeakPolarHBondContact O-CB 3.16Å; L218-A221 PolarHBondContact O-N 3.02Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.24Å; A221-S225 VanDerWaalsContact O-CB 3.31Å; A221-S225 WeakPolarHBondContact O-CB 3.42Å; A221-S225 PolarHBondContact O-N 3.43Å; A221-S225 VanDerWaalsContact O-N 3.13Å; A221-S225 PolarHBondContact O-OG 2.65Å; A221-F255 HydrophobicContact CB-CE2 4.05Å; A221-F255 HydrophobicContact CB-CZ 4.37Å
222V90.3Very high88.6Confident9 Ų964.3 Ų64.36%0.05534%0.337CS..Hα-helixtrans-64.5-42.8174.8174.10000112L218 L219 H220 S225 M227 L228 I247 L251L218-V222 WeakPolarHBondContact O-CG2 3.29Å; L218-V222 PolarHBondContact O-N 3.46Å; L219-V222 WeakPolarHBondContact O-CB 3.09Å; L219-V222 PolarHBondContact O-N 3.21Å; L219-V222 VanDerWaalsContact O-N 3.16Å; H220-V222 PolarHBondContact O-N 3.41Å; V222-S225 WeakPolarHBondContact CA-OG 3.39Å; V222-S225 PolarHBondContact O-OG 3Å; V222-M227 HydrophobicContact CB-CE 4.03Å; V222-M227 HydrophobicContact CG1-CB 4.33Å; V222-M227 HydrophobicContact CG1-CE 4.18Å; V222-M227 HydrophobicContact CG2-CE 3.69Å; V222-M227 PolarHBondContact O-N 2.73Å; V222-L228 HydrophobicContact CG1-CD2 3.93Å; V222-L228 HydrophobicContact CG1-CG 4.06Å; V222-I247 HydrophobicContact CG1-CG2 3.88Å; V222-I247 HydrophobicContact CG2-CG2 3.71Å; V222-L251 HydrophobicContact CG2-CD1 3.63Å; V222-L251 HydrophobicContact CG2-CD2 3.54Å; V222-L251 HydrophobicContact CG2-CG 3.82Å
223L89.2Confident88.3Confident87 Ų8763.6 Ų63.646%0.45534%0.337SS..Hα-helixtrans-68.8-44.4-178.1-68.4174000111.9L219 H220 G226 L228L219-L223 HydrophobicContact CD1-CD1 4.28Å; L219-L223 HydrophobicContact CD1-CG 4.3Å; L219-L223 HydrophobicContact CG-CD1 4.03Å; L219-L223 HydrophobicContact CG-CG 4.46Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.34Å; L219-L223 PolarHBondContact O-N 3.24Å; H220-L223 PolarHBondContact O-N 2.94Å; L223-G226 PolarHBondContact O-N 2.89Å; L223-L228 HydrophobicContact CD2-CD1 3.45Å; L223-L228 VanDerWaalsContact CD2-CD1 3.45Å; L223-L228 HydrophobicContact CD2-CG 4.45Å
224R87.1Confident87.9Confident149 Ų14964.8 Ų64.856%0.56234%0.343SS*.Hα-helixtrans-70.3-32.9-179.8-75-172176.9-168.40.9113.1E95 M96 H220 G226E95-R224 PolarHBondContact O-NH1 3.38Å; M96-R224 PolarHBondContact O-NH2 3.11Å; H220-R224 WeakPolarHBondContact O-CB 3.44Å; H220-R224 WeakPolarHBondContact O-CG 3.26Å; H220-R224 PolarHBondContact O-N 3.22Å; R224-G226 PolarHBondContact O-N 3.26Å
225S85.9Confident87.6Confident65 Ų6574.7 Ų74.746%0.45539%0.389SS..THydrogen-bonded Turntrans-73.4-5.5176.253.10000113.7A221 V222 M227A221-S225 VanDerWaalsContact O-CB 3.31Å; A221-S225 WeakPolarHBondContact O-CB 3.42Å; A221-S225 PolarHBondContact O-N 3.43Å; A221-S225 VanDerWaalsContact O-N 3.13Å; A221-S225 PolarHBondContact O-OG 2.65Å; V222-S225 WeakPolarHBondContact CA-OG 3.39Å; V222-S225 PolarHBondContact O-OG 3Å; S225-M227 PolarHBondContact O-N 2.92Å; S225-M227 VanDerWaalsContact O-N 3.16Å; S225-M227 WeakPolarHBondContact OG-CE 3.45Å; S225-M227 WeakPolarHBondContact OG-CG 3.15Å
226G84Confident87.4Confident38 Ų3883.1 Ų83.139%0.39241%0.412SS..THydrogen-bonded Turntrans67.112.5-179.200000113.7L223 R224 L228 R229 A230L223-G226 PolarHBondContact O-N 2.89Å; R224-G226 PolarHBondContact O-N 3.26Å; G226-L228 PolarHBondContact O-N 2.85Å; G226-L228 VanDerWaalsContact O-N 3.15Å; G226-R229 PolarHBondContact O-N 2.96Å; G226-A230 PolarHBondContact O-N 3.47Å
227M82.9Confident87.3Confident13 Ų1382.8 Ų82.86%0.06442%0.423CS..G310 helixtrans-60.8-28.2-173.3-81.3-163.6-6700113.8V222 S225 R229 A230 I247 H250 L251V222-M227 HydrophobicContact CB-CE 4.03Å; V222-M227 HydrophobicContact CG1-CB 4.33Å; V222-M227 HydrophobicContact CG1-CE 4.18Å; V222-M227 HydrophobicContact CG2-CE 3.69Å; V222-M227 PolarHBondContact O-N 2.73Å; S225-M227 PolarHBondContact O-N 2.92Å; S225-M227 VanDerWaalsContact O-N 3.16Å; S225-M227 WeakPolarHBondContact OG-CE 3.45Å; S225-M227 WeakPolarHBondContact OG-CG 3.15Å; M227-R229 PolarHBondContact O-N 3.37Å; M227-R229 VanDerWaalsContact O-N 3.14Å; M227-A230 WeakPolarHBondContact O-CB 3.28Å; M227-A230 PolarHBondContact O-N 2.95Å; M227-A230 VanDerWaalsContact O-N 3.08Å; M227-I247 HydrophobicContact CE-CG2 4.37Å; M227-H250 VanDerWaalsContact CE-CD2 3.44Å; M227-H250 WeakPolarHBondContact CE-CD2 3.28Å; M227-H250 HydrophobicContact SD-CB 3.8Å; M227-H250 PolarHBondContact SD-CD2 2.98Å; M227-L251 HydrophobicContact CE-CD2 4.37Å
228L82.9Confident87.1Confident108 Ų10888.3 Ų88.357%0.56545%0.449SS*.G310 helixtrans-61.9-19.6175.6-64.3-176.7000113.5V222 L223 G226 I247V222-L228 HydrophobicContact CG1-CD2 3.93Å; V222-L228 HydrophobicContact CG1-CG 4.06Å; L223-L228 HydrophobicContact CD2-CD1 3.45Å; L223-L228 VanDerWaalsContact CD2-CD1 3.45Å; L223-L228 HydrophobicContact CD2-CG 4.45Å; G226-L228 PolarHBondContact O-N 2.85Å; G226-L228 VanDerWaalsContact O-N 3.15Å; L228-I247 HydrophobicContact CD2-CD1 3.71Å
229R83.9Confident86.9Confident236 Ų23694.8 Ų94.889%0.89148%0.479SS*.G310 helixtrans-110.54.3177.9-62-178.7-179.6170.7-0.3112.6G226 M227G226-R229 PolarHBondContact O-N 2.96Å; M227-R229 PolarHBondContact O-N 3.37Å; M227-R229 VanDerWaalsContact O-N 3.14Å
230A84.1Confident86.5Confident37 Ų3793.6 Ų93.631%0.30647%0.471SS..  trans-70.3147.5-179.700000110.9G226 M227 A242G226-A230 PolarHBondContact O-N 3.47Å; M227-A230 WeakPolarHBondContact O-CB 3.28Å; M227-A230 PolarHBondContact O-N 2.95Å; M227-A230 VanDerWaalsContact O-N 3.08Å; A230-A242 HydrophobicContact CB-CB 3.98Å; A230-A242 WeakPolarHBondContact O-CB 3.27Å; A230-A242 PolarHBondContact O-N 2.93Å
231S85.9Confident86.4Confident70 Ų7095 Ų9549%0.4949%0.485SS..EExtended strand (participates in β ladder)trans-131.1151.3171.752.40000109.7Q240S231-Q240 CarbonylContact C-O 3.56Å; S231-Q240 VanDerWaalsContact CA-O 3.22Å; S231-Q240 WeakPolarHBondContact CA-O 3.49Å; S231-Q240 WeakPolarHBondContact CB-O 3.41Å
232Y83.6Confident86.1Confident111 Ų11194.5 Ų94.544%0.43548%0.482SS..EExtended strand (participates in β ladder)trans-121.8156.3173.467.5-83.7000109.5Q239 Q240Y232-Q239 WeakPolarHBondContact O-CA 3.35Å; Y232-Q240 HydrophobicContact CD1-CB 4.21Å; Y232-Q240 HydrophobicContact CD2-CB 4.45Å; Y232-Q240 HydrophobicContact CE1-CB 3.65Å; Y232-Q240 HydrophobicContact CE2-CB 3.94Å; Y232-Q240 HydrophobicContact CE2-CG 4.3Å; Y232-Q240 PolarHBondContact N-O 2.67Å; Y232-Q240 PolarHBondContact O-N 3.44Å
233V87Confident85.9Confident93 Ų9395.6 Ų95.656%0.56450%0.495SS*.EExtended strand (participates in β ladder)trans-98.1124.1176.7-177.20000107.7Q238 Q239V233-Q238 WeakPolarHBondContact CA-O 3.42Å; V233-Q239 HydrophobicContact CG2-CG 4.34Å
234D86.3Confident85.6Confident39 Ų3996.5 Ų96.521%0.20951%0.506CS..  trans-77.9174.5177.469.519.3000112.3R236 G237 Q238 Q240D234-R236 PolarHBondContact O-N 3.4Å; D234-R236 VanDerWaalsContact OD1-CA 3.31Å; D234-R236 WeakPolarHBondContact OD1-CA 3.44Å; D234-R236 WeakPolarHBondContact OD1-CB 3.42Å; D234-R236 PolarHBondContact OD1-N 3.19Å; D234-G237 PolarHBondContact O-N 2.92Å; D234-G237 PolarHBondContact OD1-N 2.89Å; D234-G237 VanDerWaalsContact OD1-N 3.1Å; D234-Q238 PolarHBondContact N-O 2.92Å; D234-Q238 PolarHBondContact OD1-N 3.33Å; D234-Q240 HydrophobicContact CB-CG 4.38Å; D234-Q240 PolarHBondContact OD2-NE2 3.27Å
235E86.9Confident85.5Confident209 Ų20994.3 Ų94.398%0.97751%0.505SS*.THydrogen-bonded Turntrans-59.6-17.1178.8-62.9-177.3167.900113.5
236R90Very high85.4Confident221 Ų22195.3 Ų95.383%0.83450%0.501SS*.THydrogen-bonded Turntrans-964.6178.3-56.7177.2-177.3-1740.1112D234 Q238D234-R236 PolarHBondContact O-N 3.4Å; D234-R236 VanDerWaalsContact OD1-CA 3.31Å; D234-R236 WeakPolarHBondContact OD1-CA 3.44Å; D234-R236 WeakPolarHBondContact OD1-CB 3.42Å; D234-R236 PolarHBondContact OD1-N 3.19Å; R236-Q238 VanDerWaalsContact C-N 3.3Å; R236-Q238 PolarHBondContact O-N 3.47Å
237G89.1Confident85.6Confident55 Ų5594.6 Ų94.657%0.56749%0.488SS*.SBendtrans77.89.2-17900000114.3D234D234-G237 PolarHBondContact O-N 2.92Å; D234-G237 PolarHBondContact OD1-N 2.89Å; D234-G237 VanDerWaalsContact OD1-N 3.1Å
238Q87.7Confident85.7Confident119 Ų11996.6 Ų96.656%0.55650%0.501SS*.  trans-87.4138.5-179.8-58.3-157.8-14.600111.5V233 D234 R236 Q240V233-Q238 WeakPolarHBondContact CA-O 3.42Å; D234-Q238 PolarHBondContact N-O 2.92Å; D234-Q238 PolarHBondContact OD1-N 3.33Å; R236-Q238 VanDerWaalsContact C-N 3.3Å; R236-Q238 PolarHBondContact O-N 3.47Å; Q238-Q240 PolarHBondContact O-N 3.19Å
239Q87.1Confident85.8Confident148 Ų14894.4 Ų94.469%0.69249%0.488SS*.EExtended strand (participates in β ladder)trans-76.2118172.5-75.3-168-8.700110.2Y232 V233Y232-Q239 WeakPolarHBondContact O-CA 3.35Å; V233-Q239 HydrophobicContact CG2-CG 4.34Å
240Q84.3Confident85.9Confident69 Ų6986.4 Ų86.432%0.32246%0.46SS..EExtended strand (participates in β ladder)trans-109.2137174.5-63.4-69.61.800109.7S231 Y232 D234 Q238S231-Q240 CarbonylContact C-O 3.56Å; S231-Q240 VanDerWaalsContact CA-O 3.22Å; S231-Q240 WeakPolarHBondContact CA-O 3.49Å; S231-Q240 WeakPolarHBondContact CB-O 3.41Å; Y232-Q240 HydrophobicContact CD1-CB 4.21Å; Y232-Q240 HydrophobicContact CD2-CB 4.45Å; Y232-Q240 HydrophobicContact CE1-CB 3.65Å; Y232-Q240 HydrophobicContact CE2-CB 3.94Å; Y232-Q240 HydrophobicContact CE2-CG 4.3Å; Y232-Q240 PolarHBondContact N-O 2.67Å; Y232-Q240 PolarHBondContact O-N 3.44Å; D234-Q240 HydrophobicContact CB-CG 4.38Å; D234-Q240 PolarHBondContact OD2-NE2 3.27Å; Q238-Q240 PolarHBondContact O-N 3.19Å
241P86.1Confident86.1Confident96 Ų9685.7 Ų85.762%0.62345%0.451SS*.EExtended strand (participates in β ladder)trans-67.1144.8174.328.2-33.3000110.8G243P241-G243 PolarHBondContact O-N 2.82Å
242A84Confident86.1Confident13 Ų1382.7 Ų82.711%0.10743%0.43CS..  trans-66.898.3172.600000110A230 F246A230-A242 HydrophobicContact CB-CB 3.98Å; A230-A242 WeakPolarHBondContact O-CB 3.27Å; A230-A242 PolarHBondContact O-N 2.93Å; A242-F246 HydrophobicContact CB-CB 4.38Å; A242-F246 HydrophobicContact CB-CD1 3.69Å; A242-F246 HydrophobicContact CB-CE1 4.27Å; A242-F246 HydrophobicContact CB-CG 4.18Å
243G85Confident86.3Confident31 Ų3182.4 Ų82.432%0.3244%0.435SS..  trans-68.3171.1176.900000113.2P241 L245 F246 I247P241-G243 PolarHBondContact O-N 2.82Å; G243-L245 PolarHBondContact O-N 3.45Å; G243-L245 VanDerWaalsContact O-N 3.11Å; G243-F246 WeakPolarHBondContact O-CB 3.22Å; G243-F246 PolarHBondContact O-N 3.04Å; G243-I247 PolarHBondContact O-N 3.49Å
244P84.4Confident86.4Confident107 Ų10781.1 Ų81.170%0.69543%0.427SS*.Hα-helixtrans-54.9-34-179.7-26.734.6000114.1F246 I247 V248P244-F246 VanDerWaalsContact C-N 3.34Å; P244-F246 PolarHBondContact O-N 3.36Å; P244-I247 PolarHBondContact O-N 2.94Å; P244-V248 WeakPolarHBondContact O-CG2 3.37Å; P244-V248 PolarHBondContact O-N 2.83Å
245L83.6Confident86.6Confident102 Ų10281.1 Ų81.153%0.53443%0.425SS..Hα-helixtrans-63.8-39.3178.6-169.367.5000112.3L4 G243 V248 Q249L4-L245 HydrophobicContact CD1-CD1 3.79Å; L4-L245 HydrophobicContact CD1-CD2 4.11Å; L4-L245 HydrophobicContact CD1-CG 3.86Å; L4-L245 HydrophobicContact CD2-CD1 4.35Å; L4-L245 HydrophobicContact CD2-CD2 4Å; L4-L245 HydrophobicContact CG-CD1 4.4Å; G243-L245 PolarHBondContact O-N 3.45Å; G243-L245 VanDerWaalsContact O-N 3.11Å; L245-V248 PolarHBondContact O-N 3.35Å; L245-Q249 WeakPolarHBondContact O-CB 3.22Å; L245-Q249 PolarHBondContact O-N 3.48Å
246F85Confident86.7Confident86 Ų8673.7 Ų73.738%0.37740%0.395SS..Hα-helixtrans-65.4-41.8176.5-178.2-89.3000111A242 G243 P244 Q249 H250A242-F246 HydrophobicContact CB-CB 4.38Å; A242-F246 HydrophobicContact CB-CD1 3.69Å; A242-F246 HydrophobicContact CB-CE1 4.27Å; A242-F246 HydrophobicContact CB-CG 4.18Å; G243-F246 WeakPolarHBondContact O-CB 3.22Å; G243-F246 PolarHBondContact O-N 3.04Å; P244-F246 VanDerWaalsContact C-N 3.34Å; P244-F246 PolarHBondContact O-N 3.36Å; F246-Q249 PolarHBondContact O-N 3.49Å; F246-H250 WeakPolarHBondContact O-CB 3.3Å; F246-H250 PolarHBondContact O-N 2.86Å
247I87.3Confident86.6Confident23 Ų2369.4 Ų69.412%0.11838%0.379CS..Hα-helixtrans-63.3-46.2177.4-61.1168.3000110.5V222 M227 L228 G243 P244 Q249 H250 L251V222-I247 HydrophobicContact CG1-CG2 3.88Å; V222-I247 HydrophobicContact CG2-CG2 3.71Å; M227-I247 HydrophobicContact CE-CG2 4.37Å; L228-I247 HydrophobicContact CD2-CD1 3.71Å; G243-I247 PolarHBondContact O-N 3.49Å; P244-I247 PolarHBondContact O-N 2.94Å; I247-Q249 VanDerWaalsContact C-N 3.33Å; I247-Q249 PolarHBondContact O-N 3.02Å; I247-H250 PolarHBondContact O-N 3.03Å; I247-L251 HydrophobicContact CG2-CD1 4.17Å; I247-L251 HydrophobicContact CG2-CG 4.41Å; I247-L251 WeakPolarHBondContact O-CB 3.46Å; I247-L251 WeakPolarHBondContact O-CG 3.11Å; I247-L251 PolarHBondContact O-N 3.09Å
248V84.6Confident86.7Confident56 Ų5666.9 Ų66.934%0.33935%0.353SS..Hα-helixtrans-61.3-43.9177.1171.50000110.8F7 P244 L245 L251 F252F7-V248 HydrophobicContact CD1-CG1 4.41Å; F7-V248 HydrophobicContact CE1-CG1 3.85Å; F7-V248 HydrophobicContact CE2-CG1 4.35Å; F7-V248 HydrophobicContact CZ-CG1 3.81Å; P244-V248 WeakPolarHBondContact O-CG2 3.37Å; P244-V248 PolarHBondContact O-N 2.83Å; L245-V248 PolarHBondContact O-N 3.35Å; V248-L251 PolarHBondContact O-N 2.83Å; V248-F252 WeakPolarHBondContact O-CB 3.36Å; V248-F252 PolarHBondContact O-N 3.39Å
249Q85.1Confident86.8Confident62 Ų6262.4 Ų62.429%0.2933%0.333SS..Hα-helixtrans-60.7-46.6175.7176.4171.52.500111.6F3 L245 F246 I247 F252 L253F3-Q249 HydrophobicContact CD1-CG 4.02Å; F3-Q249 HydrophobicContact CE1-CG 4.4Å; L245-Q249 WeakPolarHBondContact O-CB 3.22Å; L245-Q249 PolarHBondContact O-N 3.48Å; F246-Q249 PolarHBondContact O-N 3.49Å; I247-Q249 VanDerWaalsContact C-N 3.33Å; I247-Q249 PolarHBondContact O-N 3.02Å; Q249-F252 PolarHBondContact O-N 3.29Å; Q249-L253 HydrophobicContact CG-CD1 3.95Å; Q249-L253 VanDerWaalsContact O-CG 3.31Å; Q249-L253 WeakPolarHBondContact O-CG 3.2Å; Q249-L253 PolarHBondContact O-N 2.59Å
250H86.1Confident86.8Confident67 Ų6759 Ų5931%0.3132%0.316SS..Hα-helixtrans-61.1-50177.2-179.689.2000111.7M227 F246 I247 F252 L253 T254M227-H250 VanDerWaalsContact CE-CD2 3.44Å; M227-H250 WeakPolarHBondContact CE-CD2 3.28Å; M227-H250 HydrophobicContact SD-CB 3.8Å; M227-H250 PolarHBondContact SD-CD2 2.98Å; F246-H250 WeakPolarHBondContact O-CB 3.3Å; F246-H250 PolarHBondContact O-N 2.86Å; I247-H250 PolarHBondContact O-N 3.03Å; H250-F252 PolarHBondContact O-N 3.22Å; H250-L253 PolarHBondContact O-N 3.08Å; H250-L253 VanDerWaalsContact O-N 3.15Å; H250-T254 PolarHBondContact CD2-OG1 2.82Å; H250-T254 PolarHBondContact CE1-OG1 3.14Å; H250-T254 PolarHBondContact NE2-OG1 2.9Å; H250-T254 VanDerWaalsContact NE2-OG1 3.07Å; H250-T254 WeakPolarHBondContact O-CB 3.43Å; H250-T254 PolarHBondContact O-N 3.15Å; H250-T254 PolarHBondContact O-OG1 2.85Å
251L88.9Confident87Confident23 Ų2357.9 Ų57.912%0.1231%0.312CS..Hα-helixtrans-57.4-38.8179.1-74.9173.6000112L218 V222 M227 I247 V248 F255 V259L218-L251 HydrophobicContact CD2-CD2 4.13Å; V222-L251 HydrophobicContact CG2-CD1 3.63Å; V222-L251 HydrophobicContact CG2-CD2 3.54Å; V222-L251 HydrophobicContact CG2-CG 3.82Å; M227-L251 HydrophobicContact CE-CD2 4.37Å; I247-L251 HydrophobicContact CG2-CD1 4.17Å; I247-L251 HydrophobicContact CG2-CG 4.41Å; I247-L251 WeakPolarHBondContact O-CB 3.46Å; I247-L251 WeakPolarHBondContact O-CG 3.11Å; I247-L251 PolarHBondContact O-N 3.09Å; V248-L251 PolarHBondContact O-N 2.83Å; L251-F255 HydrophobicContact CD2-CD2 4.23Å; L251-F255 HydrophobicContact CD2-CE2 4.46Å; L251-F255 CarbonylContact O-C 3.54Å; L251-F255 WeakPolarHBondContact O-CA 3.47Å; L251-F255 WeakPolarHBondContact O-CB 3.15Å; L251-F255 PolarHBondContact O-N 3.39Å; L251-V259 HydrophobicContact CB-CG2 4.41Å
252F86.1Confident87.3Confident7 Ų754.7 Ų54.73%0.03129%0.29CS..Hα-helixtrans-71.5-40.9178.5-161.8-67.6000112.1F3 F7 V248 Q249 H250 T254 P256 V259 F260F3-F252 HydrophobicContact CD2-CD1 4.43Å; F3-F252 HydrophobicContact CD2-CE1 4.4Å; F3-F252 HydrophobicContact CE1-CB 3.82Å; F3-F252 AromaticContact CE1-CD1 3.91Å; F3-F252 HydrophobicContact CE1-CD1 3.91Å; F3-F252 AromaticContact CE1-CG 3.9Å; F3-F252 HydrophobicContact CE1-CG 3.9Å; F3-F252 AromaticContact CE2-CD1 3.17Å; F3-F252 HydrophobicContact CE2-CD1 3.17Å; F3-F252 AromaticContact CE2-CE1 3.1Å; F3-F252 HydrophobicContact CE2-CE1 3.1Å; F3-F252 AromaticContact CE2-CG 3.95Å; F3-F252 HydrophobicContact CE2-CG 3.95Å; F3-F252 AromaticContact CE2-CZ 3.8Å; F3-F252 HydrophobicContact CE2-CZ 3.8Å; F3-F252 HydrophobicContact CZ-CB 3.6Å; F3-F252 AromaticContact CZ-CD1 2.87Å; F3-F252 HydrophobicContact CZ-CD1 2.87Å; F3-F252 AromaticContact CZ-CD2 3.76Å; F3-F252 HydrophobicContact CZ-CD2 3.76Å; F3-F252 AromaticContact CZ-CE1 3.21Å; F3-F252 HydrophobicContact CZ-CE1 3.21Å; F3-F252 HydrophobicContact CZ-CE2 4.03Å; F3-F252 AromaticContact CZ-CG 3.15Å; F3-F252 HydrophobicContact CZ-CG 3.15Å; F3-F252 AromaticContact CZ-CZ 3.7Å; F3-F252 HydrophobicContact CZ-CZ 3.7Å; F7-F252 AromaticContact CD2-CD2 3.73Å; F7-F252 HydrophobicContact CD2-CD2 3.73Å; F7-F252 AromaticContact CD2-CE2 3.7Å; F7-F252 HydrophobicContact CD2-CE2 3.7Å; F7-F252 HydrophobicContact CE2-CD2 4.31Å; F7-F252 HydrophobicContact CE2-CE2 4.48Å; V248-F252 WeakPolarHBondContact O-CB 3.36Å; V248-F252 PolarHBondContact O-N 3.39Å; Q249-F252 PolarHBondContact O-N 3.29Å; H250-F252 PolarHBondContact O-N 3.22Å; F252-T254 VanDerWaalsContact C-N 3.35Å; F252-P256 HydrophobicContact CD1-CB 4.25Å; F252-P256 HydrophobicContact CE1-CB 4.34Å; F252-P256 WeakPolarHBondContact O-CA 3.15Å; F252-P256 VanDerWaalsContact O-CB 3.26Å; F252-P256 WeakPolarHBondContact O-CB 3.28Å; F252-P256 VanDerWaalsContact O-CD 3.24Å; F252-P256 WeakPolarHBondContact O-CD 3.31Å; F252-V259 HydrophobicContact CD2-CB 4.15Å; F252-V259 HydrophobicContact CD2-CG1 3.52Å; F252-V259 HydrophobicContact CE2-CG1 4.14Å; F252-V259 HydrophobicContact CG-CG1 4.3Å; F252-F260 HydrophobicContact CE1-CD2 4.48Å; F252-F260 AromaticContact CE1-CE2 3.7Å; F252-F260 HydrophobicContact CE1-CE2 3.7Å; F252-F260 AromaticContact CE1-CZ 3.8Å; F252-F260 HydrophobicContact CE1-CZ 3.8Å; F252-F260 HydrophobicContact CE2-CD1 4.37Å; F252-F260 HydrophobicContact CE2-CE1 4Å; F252-F260 HydrophobicContact CE2-CE2 4.34Å; F252-F260 HydrophobicContact CE2-CZ 4.03Å; F252-F260 HydrophobicContact CZ-CD1 4.25Å; F252-F260 HydrophobicContact CZ-CD2 4.17Å; F252-F260 AromaticContact CZ-CE1 3.56Å; F252-F260 HydrophobicContact CZ-CE1 3.56Å; F252-F260 AromaticContact CZ-CE2 3.45Å; F252-F260 HydrophobicContact CZ-CE2 3.45Å; F252-F260 VanDerWaalsContact CZ-CE2 3.45Å; F252-F260 AromaticContact CZ-CZ 3.14Å; F252-F260 HydrophobicContact CZ-CZ 3.14Å
253L87.8Confident87.5Confident104 Ų10455.1 Ų55.155%0.54530%0.295SS..Hα-helixtrans-68.9-35.9178.4-68.9174.6000111.9F3 Q249 H250F3-L253 HydrophobicContact CD1-CD2 4.09Å; F3-L253 HydrophobicContact CD1-CG 4.24Å; F3-L253 HydrophobicContact CD2-CD2 3.94Å; F3-L253 HydrophobicContact CE1-CD2 4.49Å; F3-L253 HydrophobicContact CE1-CG 4.47Å; F3-L253 HydrophobicContact CE2-CD2 4.4Å; F3-L253 HydrophobicContact CG-CD2 3.87Å; Q249-L253 HydrophobicContact CG-CD1 3.95Å; Q249-L253 VanDerWaalsContact O-CG 3.31Å; Q249-L253 WeakPolarHBondContact O-CG 3.2Å; Q249-L253 PolarHBondContact O-N 2.59Å; H250-L253 PolarHBondContact O-N 3.08Å; H250-L253 VanDerWaalsContact O-N 3.15Å
254T89.3Confident87.6Confident67 Ų6759.7 Ų59.741%0.41131%0.306SS..Hα-helixtrans-80.1-40.4179.8-540000112H250 F252 P256H250-T254 PolarHBondContact CD2-OG1 2.82Å; H250-T254 PolarHBondContact CE1-OG1 3.14Å; H250-T254 PolarHBondContact NE2-OG1 2.9Å; H250-T254 VanDerWaalsContact NE2-OG1 3.07Å; H250-T254 WeakPolarHBondContact O-CB 3.43Å; H250-T254 PolarHBondContact O-N 3.15Å; H250-T254 PolarHBondContact O-OG1 2.85Å; F252-T254 VanDerWaalsContact C-N 3.35Å; T254-P256 VanDerWaalsContact C-CD 3.43Å
255F90.6Very high88Confident38 Ų3855.7 Ų55.717%0.16728%0.28CS..SBendtrans-128.155.7-175.4-53-73.8000113F92 L218 A221 L251 R257 I258 V259F92-F255 HydrophobicContact CE1-CE1 4.18Å; F92-F255 HydrophobicContact CZ-CE1 4.16Å; L218-F255 HydrophobicContact CD2-CB 4.25Å; L218-F255 HydrophobicContact CD2-CD2 4.12Å; L218-F255 HydrophobicContact CD2-CG 4.37Å; A221-F255 HydrophobicContact CB-CE2 4.05Å; A221-F255 HydrophobicContact CB-CZ 4.37Å; L251-F255 HydrophobicContact CD2-CD2 4.23Å; L251-F255 HydrophobicContact CD2-CE2 4.46Å; L251-F255 CarbonylContact O-C 3.54Å; L251-F255 WeakPolarHBondContact O-CA 3.47Å; L251-F255 WeakPolarHBondContact O-CB 3.15Å; L251-F255 PolarHBondContact O-N 3.39Å; F255-R257 VanDerWaalsContact C-N 3.34Å; F255-R257 PolarHBondContact O-N 3.04Å; F255-I258 HydrophobicContact CB-CB 4.14Å; F255-I258 HydrophobicContact CB-CD1 4.27Å; F255-I258 HydrophobicContact CB-CG1 4.44Å; F255-I258 HydrophobicContact CD1-CD1 4.07Å; F255-I258 HydrophobicContact CG-CD1 4.48Å; F255-I258 PolarHBondContact O-N 3.02Å; F255-V259 WeakPolarHBondContact O-CG2 3.45Å; F255-V259 PolarHBondContact O-N 2.93Å
256P88.6Confident88.3Confident53 Ų5353.7 Ų53.734%0.34427%0.272SS..Hα-helixtrans-58.8-44.8-171.621.1-31.8000112.2F252 T254 I258 V259 F260F252-P256 HydrophobicContact CD1-CB 4.25Å; F252-P256 HydrophobicContact CE1-CB 4.34Å; F252-P256 WeakPolarHBondContact O-CA 3.15Å; F252-P256 VanDerWaalsContact O-CB 3.26Å; F252-P256 WeakPolarHBondContact O-CB 3.28Å; F252-P256 VanDerWaalsContact O-CD 3.24Å; F252-P256 WeakPolarHBondContact O-CD 3.31Å; T254-P256 VanDerWaalsContact C-CD 3.43Å; P256-I258 PolarHBondContact O-N 2.84Å; P256-V259 PolarHBondContact O-N 3.3Å; P256-F260 WeakPolarHBondContact O-CB 3.15Å; P256-F260 WeakPolarHBondContact O-CD2 3.34Å; P256-F260 PolarHBondContact O-N 2.81Å
257R88.2Confident88.4Confident131 Ų13151.6 Ų51.649%0.49426%0.263SS..Hα-helixtrans-60.3-46-179.9-65.117571.7173.59.8112E84 E88 F255 F260 M261E84-R257 IonicContact OE1-NH2 3.89Å; E84-R257 IonicContact OE2-CZ 3.5Å; E84-R257 IonicContact OE2-NH2 3.08Å; E84-R257 PolarHBondContact OE2-NH2 3.41Å; E88-R257 IonicContact OE1-CZ 3.64Å; E88-R257 IonicContact OE1-NE 2.64Å; E88-R257 IonicContact OE1-NH1 3.72Å; E88-R257 PolarHBondContact OE1-NH1 3.22Å; E88-R257 IonicContact OE1-NH2 2.6Å; F255-R257 VanDerWaalsContact C-N 3.34Å; F255-R257 PolarHBondContact O-N 3.04Å; R257-F260 PolarHBondContact O-N 3.13Å; R257-M261 VanDerWaalsContact O-CB 3.28Å; R257-M261 WeakPolarHBondContact O-CB 3.15Å; R257-M261 PolarHBondContact O-N 3.27Å
258I90.6Very high88.5Confident2 Ų252.4 Ų52.41%0.0127%0.269CS..Hα-helixtrans-67.7-42.3-177.7-58.1178.9000110.5E88 V89 T214 M217 L218 F255 P256 M261 L262E88-I258 HydrophobicContact CB-CG1 4.25Å; E88-I258 WeakPolarHBondContact O-CD1 3.21Å; V89-I258 HydrophobicContact CG2-CG2 4.27Å; T214-I258 HydrophobicContact CG2-CG2 3.38Å; M217-I258 HydrophobicContact CE-CD1 3.66Å; M217-I258 HydrophobicContact CE-CG2 3.82Å; M217-I258 HydrophobicContact SD-CD1 3.97Å; L218-I258 HydrophobicContact CD1-CG2 4.41Å; L218-I258 HydrophobicContact CD2-CG2 4.15Å; L218-I258 HydrophobicContact CG-CG2 4.31Å; F255-I258 HydrophobicContact CB-CB 4.14Å; F255-I258 HydrophobicContact CB-CD1 4.27Å; F255-I258 HydrophobicContact CB-CG1 4.44Å; F255-I258 HydrophobicContact CD1-CD1 4.07Å; F255-I258 HydrophobicContact CG-CD1 4.48Å; F255-I258 PolarHBondContact O-N 3.02Å; P256-I258 PolarHBondContact O-N 2.84Å; I258-M261 PolarHBondContact O-N 3.37Å; I258-L262 WeakPolarHBondContact O-CB 3.37Å; I258-L262 PolarHBondContact O-N 3.12Å
259V90.5Very high89Confident25 Ų2552 Ų5215%0.15226%0.262CS..Hα-helixtrans-65.6-43.2177.6176.30000111.4L218 L251 F252 F255 P256 L262 G263L218-V259 HydrophobicContact CD1-CG2 4.21Å; L218-V259 HydrophobicContact CD2-CG2 4.42Å; L251-V259 HydrophobicContact CB-CG2 4.41Å; F252-V259 HydrophobicContact CD2-CB 4.15Å; F252-V259 HydrophobicContact CD2-CG1 3.52Å; F252-V259 HydrophobicContact CE2-CG1 4.14Å; F252-V259 HydrophobicContact CG-CG1 4.3Å; F255-V259 WeakPolarHBondContact O-CG2 3.45Å; F255-V259 PolarHBondContact O-N 2.93Å; P256-V259 PolarHBondContact O-N 3.3Å; V259-L262 PolarHBondContact O-N 3.42Å; V259-G263 PolarHBondContact O-N 3.47Å
260F87.7Confident89.3Confident76 Ų7654.5 Ų54.533%0.33327%0.272SS..Hα-helixtrans-62.5-45.2173.8-79.6-58.8000112.2Y10 F252 P256 R257 L262 G263 F264Y10-F260 HydrophobicContact CD2-CD1 4.14Å; Y10-F260 AromaticContact CD2-CE1 3.97Å; Y10-F260 HydrophobicContact CD2-CE1 3.97Å; Y10-F260 HydrophobicContact CE1-CD1 4.41Å; Y10-F260 AromaticContact CE2-CD1 3.96Å; Y10-F260 HydrophobicContact CE2-CD1 3.96Å; Y10-F260 HydrophobicContact CE2-CE1 4.26Å; Y10-F260 HydrophobicContact CG-CD1 4.44Å; Y10-F260 HydrophobicContact CG-CE1 4.14Å; Y10-F260 PolarHBondContact OH-O 3.48Å; F252-F260 HydrophobicContact CE1-CD2 4.48Å; F252-F260 AromaticContact CE1-CE2 3.7Å; F252-F260 HydrophobicContact CE1-CE2 3.7Å; F252-F260 AromaticContact CE1-CZ 3.8Å; F252-F260 HydrophobicContact CE1-CZ 3.8Å; F252-F260 HydrophobicContact CE2-CD1 4.37Å; F252-F260 HydrophobicContact CE2-CE1 4Å; F252-F260 HydrophobicContact CE2-CE2 4.34Å; F252-F260 HydrophobicContact CE2-CZ 4.03Å; F252-F260 HydrophobicContact CZ-CD1 4.25Å; F252-F260 HydrophobicContact CZ-CD2 4.17Å; F252-F260 AromaticContact CZ-CE1 3.56Å; F252-F260 HydrophobicContact CZ-CE1 3.56Å; F252-F260 AromaticContact CZ-CE2 3.45Å; F252-F260 HydrophobicContact CZ-CE2 3.45Å; F252-F260 VanDerWaalsContact CZ-CE2 3.45Å; F252-F260 AromaticContact CZ-CZ 3.14Å; F252-F260 HydrophobicContact CZ-CZ 3.14Å; P256-F260 WeakPolarHBondContact O-CB 3.15Å; P256-F260 WeakPolarHBondContact O-CD2 3.34Å; P256-F260 PolarHBondContact O-N 2.81Å; R257-F260 PolarHBondContact O-N 3.13Å; F260-L262 PolarHBondContact O-N 3.03Å; F260-G263 PolarHBondContact O-N 2.99Å; F260-F264 WeakPolarHBondContact O-CB 3.49Å; F260-F264 PolarHBondContact O-N 3.35Å
261M87.9Confident89.4Confident47 Ų4754.1 Ų54.123%0.23228%0.275CS..Hα-helixtrans-59.1-47.5176.8-174.8-167.466.400111F85 V89 T214 R257 I258 G263 F264 V265F85-M261 HydrophobicContact CD2-CE 4.17Å; F85-M261 HydrophobicContact CD2-SD 4.43Å; V89-M261 HydrophobicContact CG2-CE 3.6Å; T214-M261 HydrophobicContact CG2-CE 3.89Å; R257-M261 VanDerWaalsContact O-CB 3.28Å; R257-M261 WeakPolarHBondContact O-CB 3.15Å; R257-M261 PolarHBondContact O-N 3.27Å; I258-M261 PolarHBondContact O-N 3.37Å; M261-G263 PolarHBondContact O-N 2.77Å; M261-F264 PolarHBondContact O-N 2.77Å; M261-V265 HydrophobicContact CG-CG2 4.41Å; M261-V265 WeakPolarHBondContact O-CB 3.09Å; M261-V265 VanDerWaalsContact O-CG2 3.3Å; M261-V265 WeakPolarHBondContact O-CG2 3.36Å; M261-V265 PolarHBondContact O-N 3.46Å
262L91.5Very high89.6Confident29 Ų2955 Ų5515%0.15228%0.279CS..Hα-helixtrans-60-47.1177.4177.959.1000111.2T214 A215 L218 I258 V259 F260 F264 V265 V266T214-L262 HydrophobicContact CG2-CB 4.03Å; T214-L262 HydrophobicContact CG2-CD1 4.41Å; T214-L262 HydrophobicContact CG2-CD2 4.47Å; A215-L262 HydrophobicContact CB-CD2 4.35Å; L218-L262 HydrophobicContact CD1-CD2 3.71Å; I258-L262 WeakPolarHBondContact O-CB 3.37Å; I258-L262 PolarHBondContact O-N 3.12Å; V259-L262 PolarHBondContact O-N 3.42Å; F260-L262 PolarHBondContact O-N 3.03Å; L262-F264 VanDerWaalsContact C-N 3.31Å; L262-F264 PolarHBondContact O-N 3.23Å; L262-V265 PolarHBondContact O-N 2.94Å; L262-V266 HydrophobicContact CD1-CG2 4.02Å; L262-V266 HydrophobicContact CG-CG2 4.42Å; L262-V266 WeakPolarHBondContact O-CB 3.47Å; L262-V266 VanDerWaalsContact O-CG2 3.27Å; L262-V266 WeakPolarHBondContact O-CG2 3.42Å; L262-V266 PolarHBondContact O-N 3.26Å
263G88.1Confident90Very high21 Ų2156 Ų5622%0.21629%0.289CS..Hα-helixtrans-58.3-42.8176.900000112.5V259 F260 M261 F267V259-G263 PolarHBondContact O-N 3.47Å; F260-G263 PolarHBondContact O-N 2.99Å; M261-G263 PolarHBondContact O-N 2.77Å; G263-F267 PolarHBondContact O-N 3.32Å
264F88Confident90.3Very high127 Ų12752.7 Ų52.756%0.55728%0.28SS*.Hα-helixtrans-65.4-45.1176.2178.9-103000112.2Y10 F260 M261 L262 V266 F267 V268Y10-F264 PolarHBondContact OH-N 3.32Å; F260-F264 WeakPolarHBondContact O-CB 3.49Å; F260-F264 PolarHBondContact O-N 3.35Å; M261-F264 PolarHBondContact O-N 2.77Å; L262-F264 VanDerWaalsContact C-N 3.31Å; L262-F264 PolarHBondContact O-N 3.23Å; F264-V266 VanDerWaalsContact C-N 3.34Å; F264-V266 PolarHBondContact O-N 2.99Å; F264-F267 PolarHBondContact O-N 2.91Å; F264-V268 HydrophobicContact CD1-CG2 4.23Å; F264-V268 HydrophobicContact CD2-CG2 4.28Å; F264-V268 HydrophobicContact CE1-CG2 3.8Å; F264-V268 HydrophobicContact CE2-CG2 3.86Å; F264-V268 HydrophobicContact CG-CG2 4.46Å; F264-V268 HydrophobicContact CZ-CG2 3.61Å; F264-V268 WeakPolarHBondContact O-CB 3.41Å; F264-V268 WeakPolarHBondContact O-CG2 3.36Å; F264-V268 PolarHBondContact O-N 3.1Å
265V92.1Very high90.6Very high23 Ų2353.4 Ų53.414%0.13928%0.276CS..Hα-helixtrans-61.3-42.2177.51690000111.1A207 I210 M261 L262 V268 F269A207-V265 HydrophobicContact CB-CG1 4.39Å; A207-V265 VanDerWaalsContact O-CG1 3.29Å; A207-V265 WeakPolarHBondContact O-CG1 3.38Å; I210-V265 HydrophobicContact CG2-CG1 4.36Å; I210-V265 HydrophobicContact CG2-CG2 4.21Å; M261-V265 HydrophobicContact CG-CG2 4.41Å; M261-V265 WeakPolarHBondContact O-CB 3.09Å; M261-V265 VanDerWaalsContact O-CG2 3.3Å; M261-V265 WeakPolarHBondContact O-CG2 3.36Å; M261-V265 PolarHBondContact O-N 3.46Å; L262-V265 PolarHBondContact O-N 2.94Å; V265-V268 PolarHBondContact O-N 2.95Å; V265-F269 VanDerWaalsContact O-CB 3.22Å; V265-F269 WeakPolarHBondContact O-CB 3.31Å; V265-F269 PolarHBondContact O-N 2.88Å
266V90.7Very high90.9Very high61 Ų6152 Ų5237%0.3727%0.27SS..Hα-helixtrans-62.6-46.9176.2169.70000111.1L262 F264 F269 F270L262-V266 HydrophobicContact CD1-CG2 4.02Å; L262-V266 HydrophobicContact CG-CG2 4.42Å; L262-V266 WeakPolarHBondContact O-CB 3.47Å; L262-V266 VanDerWaalsContact O-CG2 3.27Å; L262-V266 WeakPolarHBondContact O-CG2 3.42Å; L262-V266 PolarHBondContact O-N 3.26Å; F264-V266 VanDerWaalsContact C-N 3.34Å; F264-V266 PolarHBondContact O-N 2.99Å; V266-F269 PolarHBondContact O-N 3.21Å; V266-F270 HydrophobicContact CG1-CD2 3.89Å; V266-F270 HydrophobicContact CG1-CE2 3.67Å; V266-F270 VanDerWaalsContact O-CD2 3.22Å; V266-F270 WeakPolarHBondContact O-CD2 3.41Å; V266-F270 PolarHBondContact O-N 3.4Å; V266-F270 VanDerWaalsContact O-N 3.13Å
267F87.4Confident91.3Very high42 Ų4256 Ų5618%0.18429%0.286CS..Hα-helixtrans-57.8-51.3175.9168.8-102.2000111.8V14 C17 M18 G263 F264 F269 F270 V271V14-F267 HydrophobicContact CG1-CB 3.84Å; V14-F267 HydrophobicContact CG1-CD2 3.62Å; V14-F267 HydrophobicContact CG1-CG 3.99Å; C17-F267 HydrophobicContact CB-CE2 4.19Å; C17-F267 HydrophobicContact CB-CZ 4.3Å; M18-F267 HydrophobicContact CB-CE2 4.28Å; M18-F267 HydrophobicContact CG-CD2 3.28Å; M18-F267 HydrophobicContact CG-CE2 3.26Å; M18-F267 HydrophobicContact SD-CD2 3.93Å; M18-F267 HydrophobicContact SD-CE2 4.47Å; G263-F267 PolarHBondContact O-N 3.32Å; F264-F267 PolarHBondContact O-N 2.91Å; F267-F269 VanDerWaalsContact C-N 3.31Å; F267-F269 PolarHBondContact O-N 3.34Å; F267-F270 PolarHBondContact O-N 3.5Å; F267-V271 HydrophobicContact CE1-CG2 4.43Å; F267-V271 HydrophobicContact CE2-CG2 4.15Å; F267-V271 HydrophobicContact CZ-CG2 4.08Å; F267-V271 WeakPolarHBondContact O-CG2 3.49Å; F267-V271 PolarHBondContact O-N 2.73Å
268V88.8Confident91.7Very high40 Ų4052.3 Ų52.324%0.24227%0.274CS..Hα-helixtrans-62.4-40.1179.6170.80000111F264 V265 F270 V271 L272F264-V268 HydrophobicContact CD1-CG2 4.23Å; F264-V268 HydrophobicContact CD2-CG2 4.28Å; F264-V268 HydrophobicContact CE1-CG2 3.8Å; F264-V268 HydrophobicContact CE2-CG2 3.86Å; F264-V268 HydrophobicContact CG-CG2 4.46Å; F264-V268 HydrophobicContact CZ-CG2 3.61Å; F264-V268 WeakPolarHBondContact O-CB 3.41Å; F264-V268 WeakPolarHBondContact O-CG2 3.36Å; F264-V268 PolarHBondContact O-N 3.1Å; V265-V268 PolarHBondContact O-N 2.95Å; V268-F270 PolarHBondContact O-N 3.38Å; V268-V271 PolarHBondContact O-N 3.44Å; V268-L272 HydrophobicContact CG1-CD1 3.55Å; V268-L272 HydrophobicContact CG1-CG 4.04Å; V268-L272 WeakPolarHBondContact O-CB 3.32Å; V268-L272 VanDerWaalsContact O-CG 3.32Å; V268-L272 WeakPolarHBondContact O-CG 3.32Å; V268-L272 PolarHBondContact O-N 3.33Å
269F94.4Very high92Very high47 Ų4752.6 Ų52.621%0.20628%0.275CS..Hα-helixtrans-57.3-49.7177.2170.8-98.8000111.5A207 L208 V265 V266 F267 V271 L272 A273A207-F269 HydrophobicContact CB-CB 4.3Å; A207-F269 HydrophobicContact CB-CD2 4.3Å; L208-F269 HydrophobicContact CB-CD2 4.17Å; L208-F269 HydrophobicContact CB-CE2 3.8Å; L208-F269 HydrophobicContact CD1-CE2 4.28Å; L208-F269 HydrophobicContact CD1-CZ 4.21Å; L208-F269 HydrophobicContact CG-CE2 4.44Å; V265-F269 VanDerWaalsContact O-CB 3.22Å; V265-F269 WeakPolarHBondContact O-CB 3.31Å; V265-F269 PolarHBondContact O-N 2.88Å; V266-F269 PolarHBondContact O-N 3.21Å; F267-F269 VanDerWaalsContact C-N 3.31Å; F267-F269 PolarHBondContact O-N 3.34Å; F269-V271 PolarHBondContact O-N 3.4Å; F269-L272 PolarHBondContact O-N 3.01Å; F269-A273 HydrophobicContact CE1-CB 4.48Å; F269-A273 HydrophobicContact CZ-CB 4.37Å; F269-A273 WeakPolarHBondContact O-CB 3.41Å; F269-A273 PolarHBondContact O-N 3.04Å
270F91.4Very high92.3Very high115 Ų11553.4 Ų53.450%0.50428%0.281SS..Hα-helixtrans-65.7-39.6-179.2-78.1-66000112.8M18 V266 F267 V268 G274M18-F270 HydrophobicContact CE-CB 3.67Å; M18-F270 HydrophobicContact CE-CD2 4.43Å; M18-F270 HydrophobicContact CE-CG 4.23Å; V266-F270 HydrophobicContact CG1-CD2 3.89Å; V266-F270 HydrophobicContact CG1-CE2 3.67Å; V266-F270 VanDerWaalsContact O-CD2 3.22Å; V266-F270 WeakPolarHBondContact O-CD2 3.41Å; V266-F270 PolarHBondContact O-N 3.4Å; V266-F270 VanDerWaalsContact O-N 3.13Å; F267-F270 PolarHBondContact O-N 3.5Å; V268-F270 PolarHBondContact O-N 3.38Å; F270-G274 PolarHBondContact O-N 3.42Å
271V89.3Confident92.7Very high59 Ų5953.4 Ų53.436%0.35828%0.281SS..Hα-helixtrans-62.1-48.5175.6173.30000110.6F267 V268 F269 Y275F267-V271 HydrophobicContact CE1-CG2 4.43Å; F267-V271 HydrophobicContact CE2-CG2 4.15Å; F267-V271 HydrophobicContact CZ-CG2 4.08Å; F267-V271 WeakPolarHBondContact O-CG2 3.49Å; F267-V271 PolarHBondContact O-N 2.73Å; V268-V271 PolarHBondContact O-N 3.44Å; F269-V271 PolarHBondContact O-N 3.4Å; V271-Y275 PolarHBondContact O-N 3.41Å; V271-Y275 VanDerWaalsContact O-N 3.14Å
272L93.2Very high93.1Very high40 Ų4051.3 Ų51.321%0.20927%0.271CS..Hα-helixtrans-68-40.4179.4-69.5177.8000111.9V203 V268 F269 G274 Y275 T276V203-L272 HydrophobicContact CG1-CD1 4.1Å; V203-L272 HydrophobicContact CG2-CD1 3.91Å; V268-L272 HydrophobicContact CG1-CD1 3.55Å; V268-L272 HydrophobicContact CG1-CG 4.04Å; V268-L272 WeakPolarHBondContact O-CB 3.32Å; V268-L272 VanDerWaalsContact O-CG 3.32Å; V268-L272 WeakPolarHBondContact O-CG 3.32Å; V268-L272 PolarHBondContact O-N 3.33Å; F269-L272 PolarHBondContact O-N 3.01Å; L272-G274 PolarHBondContact O-N 3.18Å; L272-Y275 PolarHBondContact O-N 3.5Å; L272-T276 WeakPolarHBondContact O-CB 3.23Å; L272-T276 PolarHBondContact O-N 2.89Å; L272-T276 PolarHBondContact O-OG1 2.81Å
273A95.1Very high93.3Very high29 Ų2950.2 Ų50.224%0.2427%0.266CS..Hα-helixtrans-61.5-43.3177.900000111.5F269 Y275 T276 M277F269-A273 HydrophobicContact CE1-CB 4.48Å; F269-A273 HydrophobicContact CZ-CB 4.37Å; F269-A273 WeakPolarHBondContact O-CB 3.41Å; F269-A273 PolarHBondContact O-N 3.04Å; A273-Y275 VanDerWaalsContact C-N 3.35Å; A273-Y275 PolarHBondContact O-N 2.93Å; A273-T276 PolarHBondContact O-N 3.35Å; A273-M277 VanDerWaalsContact O-CB 3.28Å; A273-M277 WeakPolarHBondContact O-CB 3.43Å; A273-M277 PolarHBondContact O-N 3.4Å
274G93.8Very high93.7Very high35 Ų3552.6 Ų52.636%0.36127%0.274SS..Hα-helixtrans-60.9-42.9173.700000112.5F270 L272 M277 F278F270-G274 PolarHBondContact O-N 3.42Å; L272-G274 PolarHBondContact O-N 3.18Å; G274-M277 PolarHBondContact O-N 2.95Å; G274-F278 PolarHBondContact O-N 3.12Å
275Y94.8Very high94Very high81 Ų8147.6 Ų47.632%0.31825%0.253SS..Hα-helixtrans-66.2-42.8176.9-172.6-120.4000112.7H179 F196 L200 V271 L272 A273 F278 H279H179-Y275 PolarHBondContact CE1-OH 2.8Å; H179-Y275 PolarHBondContact NE2-OH 2.78Å; H179-Y275 VanDerWaalsContact NE2-OH 3.13Å; F196-Y275 HydrophobicContact CE1-CE1 4.31Å; F196-Y275 AromaticContact CZ-CE1 3.79Å; F196-Y275 HydrophobicContact CZ-CE1 3.79Å; L200-Y275 HydrophobicContact CD1-CD1 3.93Å; L200-Y275 HydrophobicContact CD1-CE1 3.93Å; L200-Y275 HydrophobicContact CD2-CD1 3.82Å; L200-Y275 HydrophobicContact CD2-CE1 4.02Å; V271-Y275 PolarHBondContact O-N 3.41Å; V271-Y275 VanDerWaalsContact O-N 3.14Å; L272-Y275 PolarHBondContact O-N 3.5Å; A273-Y275 VanDerWaalsContact C-N 3.35Å; A273-Y275 PolarHBondContact O-N 2.93Å; Y275-F278 PolarHBondContact O-N 2.92Å; Y275-H279 AromaticContact CD2-CD2 3.82Å; Y275-H279 AromaticContact CD2-NE2 3.99Å; Y275-H279 AromaticContact CE1-CD2 3.73Å; Y275-H279 AromaticContact CE1-NE2 3.78Å; Y275-H279 AromaticContact CE2-CD2 3.45Å; Y275-H279 VanDerWaalsContact CE2-CD2 3.45Å; Y275-H279 WeakPolarHBondContact CE2-CD2 3.14Å; Y275-H279 AromaticContact CE2-NE2 3.15Å; Y275-H279 WeakPolarHBondContact CE2-NE2 3.36Å; Y275-H279 AromaticContact CZ-CD2 3.4Å; Y275-H279 VanDerWaalsContact CZ-CD2 3.4Å; Y275-H279 AromaticContact CZ-NE2 3.02Å; Y275-H279 PolarHBondContact O-CD2 2.97Å; Y275-H279 PolarHBondContact O-N 3.01Å; Y275-H279 PolarHBondContact OH-NE2 3.21Å
276T97.3Very high94.1Very high9 Ų946.6 Ų46.66%0.05525%0.247CC..Hα-helixtrans-62.7-45.8175.3-60.50000110.9L200 L201 C204 L272 A273 F278 H279 C280L200-T276 HydrophobicContact CB-CG2 4.16Å; L201-T276 HydrophobicContact CD2-CG2 3.75Å; L201-T276 HydrophobicContact CG-CG2 4.18Å; C204-T276 PolarHBondContact SG-OG1 3.31Å; L272-T276 WeakPolarHBondContact O-CB 3.23Å; L272-T276 PolarHBondContact O-N 2.89Å; L272-T276 PolarHBondContact O-OG1 2.81Å; A273-T276 PolarHBondContact O-N 3.35Å; T276-F278 VanDerWaalsContact C-N 3.32Å; T276-F278 PolarHBondContact O-N 3.44Å; T276-H279 PolarHBondContact O-N 3.26Å; T276-C280 WeakPolarHBondContact O-CB 3.41Å; T276-C280 PolarHBondContact O-N 3.46Å; T276-C280 PolarHBondContact O-SG 3.17Å
277M97.4Very high94.2Very high138 Ų13844.3 Ų44.368%0.6823%0.233SC*.Hα-helixtrans-59.7-42.9176.8-176.8177.265.200111.5A273 G274 C280 F281A273-M277 VanDerWaalsContact O-CB 3.28Å; A273-M277 WeakPolarHBondContact O-CB 3.43Å; A273-M277 PolarHBondContact O-N 3.4Å; G274-M277 PolarHBondContact O-N 2.95Å; M277-C280 PolarHBondContact O-N 3.05Å; M277-F281 WeakPolarHBondContact O-CB 3.45Å; M277-F281 PolarHBondContact O-N 3.23Å
278F96Very high94.6Very high52 Ų5242.3 Ų42.323%0.22822%0.224CC..Hα-helixtrans-60.2-46.8175.2174.4-113.8000112.2G274 Y275 T276 F281 L282 W292G274-F278 PolarHBondContact O-N 3.12Å; Y275-F278 PolarHBondContact O-N 2.92Å; T276-F278 VanDerWaalsContact C-N 3.32Å; T276-F278 PolarHBondContact O-N 3.44Å; F278-F281 WeakPolarHBondContact O-CB 3.46Å; F278-F281 PolarHBondContact O-N 2.65Å; F278-L282 HydrophobicContact CD1-CD1 4.06Å; F278-L282 HydrophobicContact CD2-CG 4.44Å; F278-L282 HydrophobicContact CE1-CD1 3.49Å; F278-L282 VanDerWaalsContact CE1-CD1 3.49Å; F278-L282 HydrophobicContact CE1-CG 4.3Å; F278-L282 HydrophobicContact CE2-CD1 4.09Å; F278-L282 HydrophobicContact CE2-CD2 4.24Å; F278-L282 HydrophobicContact CE2-CG 4.07Å; F278-L282 HydrophobicContact CZ-CD1 3.52Å; F278-L282 HydrophobicContact CZ-CD2 4.27Å; F278-L282 HydrophobicContact CZ-CG 4.01Å; F278-L282 WeakPolarHBondContact O-CG 3.49Å; F278-L282 PolarHBondContact O-N 3.19Å; F278-W292 HydrophobicContact CE2-CD2 4.36Å; F278-W292 HydrophobicContact CE2-CG 4.4Å; F278-W292 AromaticContact CZ-CD1 3.99Å; F278-W292 HydrophobicContact CZ-CG 4.23Å
279H97Very high94.9Very high8 Ų840.9 Ų40.94%0.03722%0.215CC..Hα-helixtrans-69.8-34.3178.7-84.7-74.4000113.4D178 H179 F196 L197 L200 Y275 T276 L282 A283D178-H279 IonicContact OD2-CE1 2.66Å; D178-H279 PolarHBondContact OD2-CE1 3.21Å; H179-H279 AromaticContact CE1-CE1 3.77Å; F196-H279 AromaticContact CE1-CE1 3.95Å; F196-H279 AromaticContact CE1-NE2 3.93Å; L197-H279 HydrophobicContact CD2-CB 3.73Å; L200-H279 HydrophobicContact CD1-CB 4.2Å; Y275-H279 AromaticContact CD2-CD2 3.82Å; Y275-H279 AromaticContact CD2-NE2 3.99Å; Y275-H279 AromaticContact CE1-CD2 3.73Å; Y275-H279 AromaticContact CE1-NE2 3.78Å; Y275-H279 AromaticContact CE2-CD2 3.45Å; Y275-H279 VanDerWaalsContact CE2-CD2 3.45Å; Y275-H279 WeakPolarHBondContact CE2-CD2 3.14Å; Y275-H279 AromaticContact CE2-NE2 3.15Å; Y275-H279 WeakPolarHBondContact CE2-NE2 3.36Å; Y275-H279 AromaticContact CZ-CD2 3.4Å; Y275-H279 VanDerWaalsContact CZ-CD2 3.4Å; Y275-H279 AromaticContact CZ-NE2 3.02Å; Y275-H279 PolarHBondContact O-CD2 2.97Å; Y275-H279 PolarHBondContact O-N 3.01Å; Y275-H279 PolarHBondContact OH-NE2 3.21Å; T276-H279 PolarHBondContact O-N 3.26Å; H279-L282 PolarHBondContact O-N 2.81Å; H279-A283 WeakPolarHBondContact O-CB 3.27Å; H279-A283 PolarHBondContact O-N 2.85Å
280C97.4Very high94.9Very high42 Ų4239.2 Ų39.228%0.28421%0.209SC..Hα-helixtrans-61.3-49.2169.9-73.30000110.3T276 M277 L282 A283 L284T276-C280 WeakPolarHBondContact O-CB 3.41Å; T276-C280 PolarHBondContact O-N 3.46Å; T276-C280 PolarHBondContact O-SG 3.17Å; M277-C280 PolarHBondContact O-N 3.05Å; C280-L282 VanDerWaalsContact C-N 3.34Å; C280-L282 PolarHBondContact O-N 2.81Å; C280-A283 WeakPolarHBondContact O-CB 3.5Å; C280-A283 PolarHBondContact O-N 2.97Å; C280-A283 VanDerWaalsContact O-N 3.12Å; C280-L284 WeakPolarHBondContact O-CG 3.32Å; C280-L284 PolarHBondContact O-N 2.84Å
281F96.3Very high94.9Very high76 Ų7633.9 Ų33.933%0.33319%0.185SC..Hα-helixtrans-55.1-49175.5167-99.8000111.8M277 F278 A283 L284 V285 W292M277-F281 WeakPolarHBondContact O-CB 3.45Å; M277-F281 PolarHBondContact O-N 3.23Å; F278-F281 WeakPolarHBondContact O-CB 3.46Å; F278-F281 PolarHBondContact O-N 2.65Å; F281-A283 VanDerWaalsContact C-N 3.31Å; F281-A283 PolarHBondContact O-N 3.15Å; F281-L284 WeakPolarHBondContact O-CB 3.32Å; F281-L284 PolarHBondContact O-N 3.1Å; F281-V285 HydrophobicContact CD2-CG1 4.3Å; F281-V285 HydrophobicContact CE1-CG2 4.2Å; F281-V285 HydrophobicContact CE2-CG1 3.75Å; F281-V285 HydrophobicContact CZ-CG1 3.94Å; F281-V285 HydrophobicContact CZ-CG2 4.24Å; F281-V285 WeakPolarHBondContact O-CG2 3.45Å; F281-V285 PolarHBondContact O-N 3.08Å; F281-W292 HydrophobicContact CE1-CE3 4.32Å; F281-W292 HydrophobicContact CE1-CH2 4.01Å; F281-W292 AromaticContact CE1-CZ3 3.62Å; F281-W292 HydrophobicContact CE1-CZ3 3.62Å; F281-W292 HydrophobicContact CZ-CZ3 4.21Å
282L95.7Very high95Very high3 Ų332.7 Ų32.72%0.01617%0.174CC..Hα-helixtrans-57.3-41.8176.5-75.7-176.2000112.8F278 H279 C280 V285 N286 Q287 W292F278-L282 HydrophobicContact CD1-CD1 4.06Å; F278-L282 HydrophobicContact CD2-CG 4.44Å; F278-L282 HydrophobicContact CE1-CD1 3.49Å; F278-L282 VanDerWaalsContact CE1-CD1 3.49Å; F278-L282 HydrophobicContact CE1-CG 4.3Å; F278-L282 HydrophobicContact CE2-CD1 4.09Å; F278-L282 HydrophobicContact CE2-CD2 4.24Å; F278-L282 HydrophobicContact CE2-CG 4.07Å; F278-L282 HydrophobicContact CZ-CD1 3.52Å; F278-L282 HydrophobicContact CZ-CD2 4.27Å; F278-L282 HydrophobicContact CZ-CG 4.01Å; F278-L282 WeakPolarHBondContact O-CG 3.49Å; F278-L282 PolarHBondContact O-N 3.19Å; H279-L282 PolarHBondContact O-N 2.81Å; C280-L282 VanDerWaalsContact C-N 3.34Å; C280-L282 PolarHBondContact O-N 2.81Å; L282-V285 PolarHBondContact O-N 3.44Å; L282-N286 PolarHBondContact O-N 2.72Å; L282-Q287 CarbonylContact C-O 3.5Å; L282-Q287 WeakPolarHBondContact CB-O 3.45Å; L282-Q287 HydrophobicContact CD2-CB 4.15Å; L282-Q287 HydrophobicContact CD2-CG 4.4Å; L282-Q287 PolarHBondContact O-N 3.39Å; L282-W292 HydrophobicContact CD2-CB 4.16Å; L282-W292 HydrophobicContact CD2-CD2 4.39Å; L282-W292 HydrophobicContact CD2-CE3 4.1Å; L282-W292 HydrophobicContact CD2-CG 4.45Å
283A96.1Very high94.7Very high6 Ų636 Ų365%0.0519%0.187CC..Hα-helixtrans-62.2-42.6174.100000111.9L197 H279 C280 F281 V285 N286 I333L197-A283 HydrophobicContact CD1-CB 3.91Å; H279-A283 WeakPolarHBondContact O-CB 3.27Å; H279-A283 PolarHBondContact O-N 2.85Å; C280-A283 WeakPolarHBondContact O-CB 3.5Å; C280-A283 PolarHBondContact O-N 2.97Å; C280-A283 VanDerWaalsContact O-N 3.12Å; F281-A283 VanDerWaalsContact C-N 3.31Å; F281-A283 PolarHBondContact O-N 3.15Å; A283-V285 VanDerWaalsContact C-N 3.31Å; A283-V285 PolarHBondContact O-N 3.31Å; A283-N286 PolarHBondContact O-N 3.06Å; A283-I333 HydrophobicContact CB-CD1 4.24Å; A283-I333 HydrophobicContact CB-CG1 4.05Å
284L95.5Very high94.2Very high72 Ų7238 Ų3838%0.37719%0.191SC..Hα-helixtrans-66.4-29.8179.3-63.5179.7000113.1C280 F281 L326 N329 L330C280-L284 WeakPolarHBondContact O-CG 3.32Å; C280-L284 PolarHBondContact O-N 2.84Å; F281-L284 WeakPolarHBondContact O-CB 3.32Å; F281-L284 PolarHBondContact O-N 3.1Å; L284-L326 HydrophobicContact CB-CD1 4.09Å; L284-L326 HydrophobicContact CD1-CD1 4.37Å; L284-L326 HydrophobicContact CD2-CD1 3.42Å; L284-L326 VanDerWaalsContact CD2-CD1 3.42Å; L284-L326 HydrophobicContact CD2-CG 4.42Å; L284-L326 HydrophobicContact CG-CD1 4.12Å; L284-N329 PolarHBondContact O-ND2 3.3Å; L284-L330 HydrophobicContact CD2-CD1 4.26Å; L284-L330 HydrophobicContact CD2-CD2 3.99Å; L284-L330 HydrophobicContact CD2-CG 4.21Å
285V93.6Very high93.6Very high21 Ų2137.7 Ų37.713%0.12718%0.183CC..THydrogen-bonded Turntrans-98.75.9177.8-56.20000114F281 L282 A283 Q287 Y320F281-V285 HydrophobicContact CD2-CG1 4.3Å; F281-V285 HydrophobicContact CE1-CG2 4.2Å; F281-V285 HydrophobicContact CE2-CG1 3.75Å; F281-V285 HydrophobicContact CZ-CG1 3.94Å; F281-V285 HydrophobicContact CZ-CG2 4.24Å; F281-V285 WeakPolarHBondContact O-CG2 3.45Å; F281-V285 PolarHBondContact O-N 3.08Å; L282-V285 PolarHBondContact O-N 3.44Å; A283-V285 VanDerWaalsContact C-N 3.31Å; A283-V285 PolarHBondContact O-N 3.31Å; V285-Q287 VanDerWaalsContact C-N 3.27Å; V285-Q287 HydrophobicContact CG2-CB 3.79Å; V285-Q287 PolarHBondContact O-N 3.05Å; V285-Y320 HydrophobicContact CB-CD1 3.67Å; V285-Y320 HydrophobicContact CB-CE1 3.65Å; V285-Y320 HydrophobicContact CG1-CD1 4.24Å; V285-Y320 HydrophobicContact CG1-CE1 3.81Å; V285-Y320 HydrophobicContact CG2-CD1 4.13Å; V285-Y320 HydrophobicContact CG2-CE1 3.92Å
286N94.6Very high92.5Very high2 Ų241.7 Ų41.71%0.01120%0.197CC..THydrogen-bonded Turntrans49.344.4-175.7-160.3-11.6000114R163 R176 L282 A283 Y322 N329 E332R163-N286 PolarHBondContact NH1-OD1 3.06Å; R163-N286 PolarHBondContact NH2-O 3.13Å; R176-N286 PolarHBondContact NH2-OD1 3.42Å; L282-N286 PolarHBondContact O-N 2.72Å; A283-N286 PolarHBondContact O-N 3.06Å; N286-Y322 PolarHBondContact ND2-O 3.02Å; N286-N329 HydrophobicContact CB-CB 3.98Å; N286-N329 VanDerWaalsContact CB-CG 3.49Å; N286-N329 VanDerWaalsContact CB-OD1 3.29Å; N286-N329 WeakPolarHBondContact CB-OD1 3.42Å; N286-N329 PolarHBondContact ND2-OD1 3.44Å; N286-E332 PolarHBondContact ND2-OE2 3.05Å; N286-E332 PolarHBondContact OD1-OE1 2.96Å
287Q93.9Very high90.7Very high14 Ų1443.5 Ų43.57%0.06522%0.218CC..  trans-117143.7176.4-167.5172.15.400109.5L282 V285 E291 W292L282-Q287 CarbonylContact C-O 3.5Å; L282-Q287 WeakPolarHBondContact CB-O 3.45Å; L282-Q287 HydrophobicContact CD2-CB 4.15Å; L282-Q287 HydrophobicContact CD2-CG 4.4Å; L282-Q287 PolarHBondContact O-N 3.39Å; V285-Q287 VanDerWaalsContact C-N 3.27Å; V285-Q287 HydrophobicContact CG2-CB 3.79Å; V285-Q287 PolarHBondContact O-N 3.05Å; Q287-E291 HydrophobicContact CG-CB 3.74Å; Q287-W292 VanDerWaalsContact NE2-CA 3.32Å
288T95.8Very high88.9Confident0 Ų041 Ų410%020%0.204CC..  trans-88.9156170.359.70000110.9R176 D178 N290 E291 W292R176-T288 HydrophobicContact CG-CG2 4.01Å; D178-T288 HydrophobicContact CB-CG2 4.45Å; D178-T288 WeakPolarHBondContact OD1-CA 3.37Å; D178-T288 WeakPolarHBondContact OD1-CB 3.42Å; T288-N290 PolarHBondContact O-N 3.3Å; T288-E291 PolarHBondContact N-OE2 2.94Å; T288-E291 WeakPolarHBondContact O-CB 3.24Å; T288-E291 PolarHBondContact O-N 3.44Å; T288-E291 WeakPolarHBondContact OG1-CB 3.4Å; T288-E291 WeakPolarHBondContact OG1-CG 3.16Å; T288-E291 PolarHBondContact OG1-N 3.06Å; T288-E291 VanDerWaalsContact OG1-N 3.12Å; T288-E291 PolarHBondContact OG1-OE2 3.36Å; T288-W292 PolarHBondContact O-N 3.07Å
289S94.3Very high86.6Confident9 Ų941.9 Ų41.96%0.06323%0.228CC..Hα-helixtrans-57.9-39.2173.164.50000111.2D178 E291 W292 F293D178-S289 PolarHBondContact O-OG 3.08Å; D178-S289 PolarHBondContact OD1-N 3.19Å; D178-S289 PolarHBondContact OD1-OG 3.46Å; D178-S289 WeakPolarHBondContact OD2-CB 3.49Å; D178-S289 PolarHBondContact OD2-OG 3.43Å; S289-E291 VanDerWaalsContact C-N 3.35Å; S289-E291 PolarHBondContact O-N 3.16Å; S289-W292 WeakPolarHBondContact O-CB 3.4Å; S289-W292 PolarHBondContact O-N 3.12Å; S289-F293 WeakPolarHBondContact O-CD2 3.36Å; S289-F293 PolarHBondContact O-N 3.27Å
290N94.1Very high84.2Confident12 Ų1246.5 Ų46.56%0.06426%0.26CS..Hα-helixtrans-61.1-39.3173.1167.484.6000112.9K165 F177 D178 T288 K294K165-N290 WeakPolarHBondContact CD-OD1 3.41Å; K165-N290 PolarHBondContact NZ-OD1 3.42Å; F177-N290 HydrophobicContact CD1-CB 3.89Å; F177-N290 HydrophobicContact CE1-CB 4.19Å; D178-N290 WeakPolarHBondContact O-CB 3.42Å; D178-N290 PolarHBondContact O-N 3.33Å; T288-N290 PolarHBondContact O-N 3.3Å; N290-K294 VanDerWaalsContact O-CB 3.32Å; N290-K294 WeakPolarHBondContact O-CB 3.49Å; N290-K294 VanDerWaalsContact O-CG 3.23Å; N290-K294 WeakPolarHBondContact O-CG 3.38Å; N290-K294 PolarHBondContact O-N 2.84Å; N290-K294 WeakPolarHBondContact OD1-CE 3.32Å
291E93.1Very high81.6Confident3 Ų355.2 Ų55.21%0.01429%0.287CS..Hα-helixtrans-67.8-40174.2-75.9156.3-179.100112L146 F147 R163 Q287 T288 S289 K294 S295L146-E291 HydrophobicContact CD1-CB 4.44Å; L146-E291 HydrophobicContact CD1-CG 4.45Å; F147-E291 HydrophobicContact CE2-CG 3.77Å; F147-E291 WeakPolarHBondContact CE2-OE1 3.34Å; F147-E291 HydrophobicContact CZ-CG 3.73Å; R163-E291 WeakPolarHBondContact CG-OE1 3.4Å; R163-E291 IonicContact CZ-OE1 3.52Å; R163-E291 IonicContact CZ-OE2 3.65Å; R163-E291 IonicContact NE-OE1 2.72Å; R163-E291 PolarHBondContact NE-OE1 2.87Å; R163-E291 IonicContact NE-OE2 3.64Å; R163-E291 IonicContact NH2-OE1 3.44Å; R163-E291 PolarHBondContact NH2-OE1 3.27Å; R163-E291 IonicContact NH2-OE2 2.81Å; R163-E291 PolarHBondContact NH2-OE2 2.64Å; Q287-E291 HydrophobicContact CG-CB 3.74Å; T288-E291 PolarHBondContact N-OE2 2.94Å; T288-E291 WeakPolarHBondContact O-CB 3.24Å; T288-E291 PolarHBondContact O-N 3.44Å; T288-E291 WeakPolarHBondContact OG1-CB 3.4Å; T288-E291 WeakPolarHBondContact OG1-CG 3.16Å; T288-E291 PolarHBondContact OG1-N 3.06Å; T288-E291 VanDerWaalsContact OG1-N 3.12Å; T288-E291 PolarHBondContact OG1-OE2 3.36Å; S289-E291 VanDerWaalsContact C-N 3.35Å; S289-E291 PolarHBondContact O-N 3.16Å; E291-K294 PolarHBondContact O-N 3.06Å; E291-S295 WeakPolarHBondContact O-CB 3.37Å; E291-S295 PolarHBondContact O-N 3.28Å; E291-S295 PolarHBondContact O-OG 3.41Å
292W90.8Very high79.2Confident35 Ų3561.7 Ų61.713%0.13331%0.309CS..Hα-helixtrans-58.7-48.2176.3179.7-91.9000112.6F278 F281 L282 Q287 T288 S289 S295 R296F278-W292 HydrophobicContact CE2-CD2 4.36Å; F278-W292 HydrophobicContact CE2-CG 4.4Å; F278-W292 AromaticContact CZ-CD1 3.99Å; F278-W292 HydrophobicContact CZ-CG 4.23Å; F281-W292 HydrophobicContact CE1-CE3 4.32Å; F281-W292 HydrophobicContact CE1-CH2 4.01Å; F281-W292 AromaticContact CE1-CZ3 3.62Å; F281-W292 HydrophobicContact CE1-CZ3 3.62Å; F281-W292 HydrophobicContact CZ-CZ3 4.21Å; L282-W292 HydrophobicContact CD2-CB 4.16Å; L282-W292 HydrophobicContact CD2-CD2 4.39Å; L282-W292 HydrophobicContact CD2-CE3 4.1Å; L282-W292 HydrophobicContact CD2-CG 4.45Å; Q287-W292 VanDerWaalsContact NE2-CA 3.32Å; T288-W292 PolarHBondContact O-N 3.07Å; S289-W292 WeakPolarHBondContact O-CB 3.4Å; S289-W292 PolarHBondContact O-N 3.12Å; W292-S295 PolarHBondContact O-OG 3.11Å; W292-R296 PolarHBondContact O-N 3.16Å
293F86.9Confident76.8Confident109 Ų10967.4 Ų67.448%0.47835%0.348SS..Hα-helixtrans-72.7-36.1178.8-72.6-68.3000112.7S289 R296 G297S289-F293 WeakPolarHBondContact O-CD2 3.36Å; S289-F293 PolarHBondContact O-N 3.27Å; F293-R296 PolarHBondContact O-N 3.3Å; F293-G297 PolarHBondContact O-N 3.36Å; F293-G297 VanDerWaalsContact O-N 3.17Å
294K84.4Confident73.9Confident72 Ų7274.6 Ų74.631%0.31338%0.38SS..Hα-helixtrans-63.1-41.9175-79.9-179.6174.1-173.40112.2L146 N290 E291 G297 Q298L146-K294 HydrophobicContact CD2-CB 3.82Å; N290-K294 VanDerWaalsContact O-CB 3.32Å; N290-K294 WeakPolarHBondContact O-CB 3.49Å; N290-K294 VanDerWaalsContact O-CG 3.23Å; N290-K294 WeakPolarHBondContact O-CG 3.38Å; N290-K294 PolarHBondContact O-N 2.84Å; N290-K294 WeakPolarHBondContact OD1-CE 3.32Å; E291-K294 PolarHBondContact O-N 3.06Å; K294-G297 PolarHBondContact O-N 3.26Å; K294-Q298 PolarHBondContact O-N 3.08Å
295S81.6Confident71.3Confident28 Ų2877.7 Ų77.720%0.19641%0.405CS..Hα-helixtrans-68.3-36.2-179.4670000112.3E291 W292 Q298 G299E291-S295 WeakPolarHBondContact O-CB 3.37Å; E291-S295 PolarHBondContact O-N 3.28Å; E291-S295 PolarHBondContact O-OG 3.41Å; W292-S295 PolarHBondContact O-OG 3.11Å; S295-Q298 PolarHBondContact O-N 3.46Å; S295-G299 PolarHBondContact O-N 2.87Å
296R71.3Confident68.5Low164 Ų16480.2 Ų80.262%0.61943%0.428SS*.Hα-helixtrans-62.5-40.2172.1-78.1-174.8162.5-159.6-5.5112.8W292 F293 Q298 G299W292-R296 PolarHBondContact O-N 3.16Å; F293-R296 PolarHBondContact O-N 3.3Å; R296-Q298 VanDerWaalsContact C-N 3.32Å; R296-Q298 PolarHBondContact O-N 3.49Å; R296-G299 PolarHBondContact O-N 3.48Å
297G60.2Low66Low47 Ų4786 Ų8649%0.48547%0.466SS..Hα-helixtrans-70-24.1177.800000114.6F293 K294F293-G297 PolarHBondContact O-N 3.36Å; F293-G297 VanDerWaalsContact O-N 3.17Å; K294-G297 PolarHBondContact O-N 3.26Å
298Q57.9Low63.7Low86 Ų8695.1 Ų95.140%0.40251%0.508SS..Hα-helixtrans-80.5-20.4176.6-73.8-178.4-14.700113.3R145 K294 S295 R296 C300R145-Q298 PolarHBondContact O-NE2 3.46Å; K294-Q298 PolarHBondContact O-N 3.08Å; S295-Q298 PolarHBondContact O-N 3.46Å; R296-Q298 VanDerWaalsContact C-N 3.32Å; R296-Q298 PolarHBondContact O-N 3.49Å; Q298-C300 PolarHBondContact O-N 3.47Å
299G49.3Very low61Low70 Ų7099.3 Ų99.372%0.72254%0.543SS*.THydrogen-bonded Turntrans-64.2-6.8176.700000115.1S295 R296S295-G299 PolarHBondContact O-N 2.87Å; R296-G299 PolarHBondContact O-N 3.48Å
300C46.3Very low58.1Low105 Ų105106.1 Ų106.171%0.70958%0.579SS**THydrogen-bonded Turntrans-135.744.6-179.3-163.20000112.2Q298Q298-C300 PolarHBondContact O-N 3.47Å
301R43.1Very low55.5Low226 Ų226109.8 Ų109.885%0.85362%0.619SS**SBendtrans-1322.7169.5-76.7-168.9177.8-167.9-2.8114.7
302R45.2Very low52.9Low212 Ų212117.3 Ų117.380%0.866%0.659SS**  trans-132.643.4-178.1-132.2176.7-168.4-176.61.4113.1Q304R302-Q304 PolarHBondContact O-N 3.06Å
303C45.2Very low50.2Low123 Ų123121.9 Ų121.983%0.83170%0.695SS**  trans-74.746.2152.4-63.10000110.4
304Q35.6Very low47.5Very low156 Ų156120 Ų12073%0.72971%0.706SS**SBendtrans-138114.5165.7-79.6-171-13.200106.5R302 A306R302-Q304 PolarHBondContact O-N 3.06Å; Q304-A306 PolarHBondContact O-N 3.16Å
305P39.7Very low45.4Very low137 Ų137122.9 Ų122.989%0.8973%0.732SS**  trans-71.411916930.1-27.7000106.7
306A36.2Very low43.6Very low74 Ų74125.7 Ų125.761%0.61276%0.757SS**  trans-119.4144.6166.900000108.6Q304Q304-A306 PolarHBondContact O-N 3.16Å
307P41.3Very low42.5Very low125 Ų125123.2 Ų123.281%0.81276%0.762SS**  trans-78.6160.4-151.721.2-13.4000112.9A309P307-A309 PolarHBondContact O-N 3.08Å
308Q46.2Very low42.3Very low204 Ų204127 Ų12795%0.95377%0.771SS**  trans-38.2125.5178.4-72.5165.1-26.100113.3
309A37.7Very low42.6Very low89 Ų89130 Ų13074%0.73678%0.779SS**  trans-139.9115.4155.300000108.4P307P307-A309 PolarHBondContact O-N 3.08Å
310D34.3Very low43.8Very low151 Ų151130.9 Ų130.981%0.80776%0.761SS**  trans6579.2154.8-50.8-21.9000119.1L312D310-L312 VanDerWaalsContact C-N 3.27Å; D310-L312 PolarHBondContact O-N 3.33Å
311G40Very low45.3Very low89 Ų89129.1 Ų129.192%0.91875%0.749SS**SBend49.812.4108.900000122.9
312L37.1Very low47.5Very low162 Ų162119.4 Ų119.485%0.84871%0.713SS**  trans-141.629.7-176.2-104.5149.6000115.6D310D310-L312 VanDerWaalsContact C-N 3.27Å; D310-L312 PolarHBondContact O-N 3.33Å
313C34.6Very low49.7Very low131 Ų131111.7 Ų111.789%0.88569%0.691SS**  trans-138.2119166.9-81.10000110.3
314G30.1Very low51.8Low68 Ų68112.7 Ų112.770%0.70168%0.678SS**  trans-62.9-179.1174.500000114
315P40Very low54.5Low134 Ų134107.2 Ų107.287%0.8766%0.663SS**SBendtrans-69.1134.3-162.330.1-33.7000111.6
316A43.7Very low57Low86 Ų86106 Ų10671%0.71165%0.648SS**SBendtrans54.1116.217000000117.2D318A316-D318 PolarHBondContact O-N 3.06Å
317P47.9Very low59.7Low112 Ų112109.2 Ų109.273%0.72766%0.655SS**  trans-76.1117.6-171.429.2-33000112.5R319P317-R319 PolarHBondContact O-N 3.45Å
318D57.8Low62.2Low126 Ų126104.5 Ų104.567%0.67463%0.629SS**  trans-52.6125.6177.2-88-33.9000111.9R145 A316 Y320R145-D318 PolarHBondContact NH1-O 2.82Å; A316-D318 PolarHBondContact O-N 3.06Å; D318-Y320 PolarHBondContact O-N 2.77Å
319R63.5Low64.6Low150 Ų15094.9 Ų94.957%0.56658%0.584SS**THydrogen-bonded Turntrans-57.6-18.9172.1-175176.2-101.2-174.1-2.3111.3P317P317-R319 PolarHBondContact O-N 3.45Å
320Y73.8Confident67.3Low88 Ų8893.3 Ų93.335%0.34556%0.562SS.*THydrogen-bonded Turntrans-117.948.2-169.8-52.4-65.7000113.9V285 D318 Y322 S323V285-Y320 HydrophobicContact CB-CD1 3.67Å; V285-Y320 HydrophobicContact CB-CE1 3.65Å; V285-Y320 HydrophobicContact CG1-CD1 4.24Å; V285-Y320 HydrophobicContact CG1-CE1 3.81Å; V285-Y320 HydrophobicContact CG2-CD1 4.13Å; V285-Y320 HydrophobicContact CG2-CE1 3.92Å; D318-Y320 PolarHBondContact O-N 2.77Å; Y320-Y322 PolarHBondContact O-N 3.24Å; Y320-S323 WeakPolarHBondContact O-CB 3.47Å; Y320-S323 PolarHBondContact O-N 2.94Å
321C79.1Confident70.3Confident69 Ų6994.9 Ų94.947%0.46656%0.557SS.*THydrogen-bonded Turntrans-52.2-27.6-176.6-175.90000115.5
322Y89Confident72.9Confident21 Ų2191 Ų918%0.08252%0.515CS..THydrogen-bonded Turntrans-1014.3178.5-57.9-76.5000114.1Y140 P141 D143 F147 R163 N286 Y320Y140-Y322 HydrophobicContact CD1-CD1 4.31Å; P141-Y322 WeakPolarHBondContact O-CE1 3.25Å; P141-Y322 PolarHBondContact O-OH 2.87Å; D143-Y322 VanDerWaalsContact CG-OH 3.32Å; D143-Y322 WeakPolarHBondContact OD2-CE2 3.4Å; D143-Y322 PolarHBondContact OD2-OH 3.45Å; F147-Y322 HydrophobicContact CD2-CE2 4.37Å; F147-Y322 WeakPolarHBondContact CD2-OH 3.37Å; F147-Y322 HydrophobicContact CE2-CE2 4.35Å; R163-Y322 HydrophobicContact CG-CE1 4.06Å; R163-Y322 HydrophobicContact CG-CE2 4.06Å; N286-Y322 PolarHBondContact ND2-O 3.02Å; Y320-Y322 PolarHBondContact O-N 3.24Å
323S90.9Very high75.7Confident50 Ų5083.5 Ų83.535%0.3548%0.476SS..  trans-71.4137.9178.9-174.60000111.3Y320 N329Y320-S323 WeakPolarHBondContact O-CB 3.47Å; Y320-S323 PolarHBondContact O-N 2.94Å; S323-N329 PolarHBondContact OG-ND2 2.85Å
324R89Confident78.6Confident145 Ų14580.7 Ų80.755%0.54745%0.449SS..  trans-126.127-178.5-60.2-179179.8-174.4-0.1111.4N329R324-N329 PolarHBondContact N-OD1 3.3Å
325G91.5Very high81.6Confident41 Ų4184.5 Ų84.542%0.42345%0.446SS..Hα-helixtrans75.3164.7-169.600000112.9L327 G328 N329G325-L327 PolarHBondContact O-N 2.83Å; G325-G328 PolarHBondContact O-N 3.04Å; G325-N329 WeakPolarHBondContact O-CB 3.47Å; G325-N329 PolarHBondContact O-N 3.31Å; G325-N329 PolarHBondContact O-ND2 2.76Å; G325-N329 PolarHBondContact O-OD1 3.01Å
326L92.3Very high84.1Confident111 Ų11179 Ų7958%0.58141%0.411SS*.Hα-helixtrans-52.7-51.5-171.1-170.275.1000112.9L284 N329 L330L284-L326 HydrophobicContact CB-CD1 4.09Å; L284-L326 HydrophobicContact CD1-CD1 4.37Å; L284-L326 HydrophobicContact CD2-CD1 3.42Å; L284-L326 VanDerWaalsContact CD2-CD1 3.42Å; L284-L326 HydrophobicContact CD2-CG 4.42Å; L284-L326 HydrophobicContact CG-CD1 4.12Å; L326-N329 PolarHBondContact O-N 3.01Å; L326-L330 WeakPolarHBondContact O-CG 3.39Å; L326-L330 PolarHBondContact O-N 3.02Å
327L94.1Very high86.1Confident142 Ų14277.2 Ų77.274%0.74339%0.392SS*.Hα-helixtrans-69.9-39.2-178.1-171.865000112.1G325 N329 L330 R331G325-L327 PolarHBondContact O-N 2.83Å; L327-N329 VanDerWaalsContact C-N 3.3Å; L327-N329 PolarHBondContact O-N 3.45Å; L327-L330 PolarHBondContact O-N 2.74Å; L327-R331 VanDerWaalsContact O-CB 3.26Å; L327-R331 WeakPolarHBondContact O-CB 3.47Å; L327-R331 PolarHBondContact O-N 3.25Å
328G94.3Very high87.6Confident26 Ų2677.5 Ų77.527%0.26839%0.387SS..Hα-helixtrans-63-39.4176.400000112G325 R331 E332G325-G328 PolarHBondContact O-N 3.04Å; G328-R331 PolarHBondContact O-N 3.47Å; G328-E332 PolarHBondContact O-N 2.89Å; G328-E332 VanDerWaalsContact O-N 3.08Å
329N95.4Very high88.3Confident1 Ų173 Ų731%0.00537%0.368CS..Hα-helixtrans-65.9-49.7177.7-65.3-14000111.2L284 N286 S323 R324 G325 L326 L327 R331 E332 I333L284-N329 PolarHBondContact O-ND2 3.3Å; N286-N329 HydrophobicContact CB-CB 3.98Å; N286-N329 VanDerWaalsContact CB-CG 3.49Å; N286-N329 VanDerWaalsContact CB-OD1 3.29Å; N286-N329 WeakPolarHBondContact CB-OD1 3.42Å; N286-N329 PolarHBondContact ND2-OD1 3.44Å; S323-N329 PolarHBondContact OG-ND2 2.85Å; R324-N329 PolarHBondContact N-OD1 3.3Å; G325-N329 WeakPolarHBondContact O-CB 3.47Å; G325-N329 PolarHBondContact O-N 3.31Å; G325-N329 PolarHBondContact O-ND2 2.76Å; G325-N329 PolarHBondContact O-OD1 3.01Å; L326-N329 PolarHBondContact O-N 3.01Å; L327-N329 VanDerWaalsContact C-N 3.3Å; L327-N329 PolarHBondContact O-N 3.45Å; N329-R331 VanDerWaalsContact C-N 3.35Å; N329-R331 PolarHBondContact O-N 3.43Å; N329-E332 PolarHBondContact O-N 3.2Å; N329-I333 WeakPolarHBondContact O-CG1 3.28Å; N329-I333 PolarHBondContact O-N 3.32Å; N329-I333 VanDerWaalsContact O-N 3.16Å
330L95.7Very high88Confident56 Ų5670.2 Ų70.229%0.29337%0.371SS..Hα-helixtrans-63-40.6176.2-70.9178.2000112.1L284 L326 L327 E332 I333 F334L284-L330 HydrophobicContact CD2-CD1 4.26Å; L284-L330 HydrophobicContact CD2-CD2 3.99Å; L284-L330 HydrophobicContact CD2-CG 4.21Å; L326-L330 WeakPolarHBondContact O-CG 3.39Å; L326-L330 PolarHBondContact O-N 3.02Å; L327-L330 PolarHBondContact O-N 2.74Å; L330-E332 VanDerWaalsContact C-N 3.29Å; L330-E332 PolarHBondContact O-N 3.3Å; L330-I333 WeakPolarHBondContact O-CB 3.46Å; L330-I333 PolarHBondContact O-N 2.96Å; L330-I333 VanDerWaalsContact O-N 3.11Å; L330-F334 HydrophobicContact CD2-CE2 4.43Å; L330-F334 WeakPolarHBondContact O-CD2 3.5Å; L330-F334 PolarHBondContact O-N 2.9Å
331R96.1Very high86.7Confident184 Ų18474.8 Ų74.869%0.69440%0.395SS*.Hα-helixtrans-58.7-42.1176.3-174.8177.5178.5179.70.9111.5L327 G328 N329 I333 F335L327-R331 VanDerWaalsContact O-CB 3.26Å; L327-R331 WeakPolarHBondContact O-CB 3.47Å; L327-R331 PolarHBondContact O-N 3.25Å; G328-R331 PolarHBondContact O-N 3.47Å; N329-R331 VanDerWaalsContact C-N 3.35Å; N329-R331 PolarHBondContact O-N 3.43Å; R331-I333 VanDerWaalsContact C-N 3.34Å; R331-I333 PolarHBondContact O-N 2.96Å; R331-F335 CarbonylContact O-C 3.42Å; R331-F335 WeakPolarHBondContact O-CA 3.48Å; R331-F335 WeakPolarHBondContact O-CB 3.29Å; R331-F335 PolarHBondContact O-N 3.32Å
332E94.5Very high85Confident9 Ų981 Ų814%0.04241%0.414CS..Hα-helixtrans-64.1-37.7176.1-172.4-178.9137.500112.4Y140 R163 R176 N286 G328 N329 L330 F335 P336Y140-E332 VanDerWaalsContact CE1-OE1 3.24Å; Y140-E332 WeakPolarHBondContact CE1-OE1 3.5Å; Y140-E332 VanDerWaalsContact CZ-OE1 3.29Å; Y140-E332 PolarHBondContact OH-OE1 3.49Å; R163-E332 IonicContact NH1-OE1 3.27Å; R163-E332 PolarHBondContact NH1-OE1 2.85Å; R176-E332 IonicContact CZ-OE1 3.81Å; R176-E332 IonicContact NE-OE1 2.94Å; R176-E332 PolarHBondContact NE-OE1 2.9Å; R176-E332 IonicContact NH2-OE1 3.91Å; N286-E332 PolarHBondContact ND2-OE2 3.05Å; N286-E332 PolarHBondContact OD1-OE1 2.96Å; G328-E332 PolarHBondContact O-N 2.89Å; G328-E332 VanDerWaalsContact O-N 3.08Å; N329-E332 PolarHBondContact O-N 3.2Å; L330-E332 VanDerWaalsContact C-N 3.29Å; L330-E332 PolarHBondContact O-N 3.3Å; E332-F335 CarbonylContact O-C 3.47Å; E332-P336 WeakPolarHBondContact O-CA 3.34Å
333I95.5Very high82.5Confident4 Ų489.6 Ų89.62%0.02145%0.452CS..Hα-helixtrans-65.2-49.7178-66.1-67.4000111.4R176 T193 L197 A283 N329 L330 R331R176-I333 VanDerWaalsContact NH2-CD1 3.25Å; T193-I333 HydrophobicContact CG2-CD1 4.01Å; T193-I333 HydrophobicContact CG2-CG2 4.4Å; L197-I333 HydrophobicContact CD1-CG2 3.56Å; A283-I333 HydrophobicContact CB-CD1 4.24Å; A283-I333 HydrophobicContact CB-CG1 4.05Å; N329-I333 WeakPolarHBondContact O-CG1 3.28Å; N329-I333 PolarHBondContact O-N 3.32Å; N329-I333 VanDerWaalsContact O-N 3.16Å; L330-I333 WeakPolarHBondContact O-CB 3.46Å; L330-I333 PolarHBondContact O-N 2.96Å; L330-I333 VanDerWaalsContact O-N 3.11Å; R331-I333 VanDerWaalsContact C-N 3.34Å; R331-I333 PolarHBondContact O-N 2.96Å
334F95.6Very high80Confident71 Ų7190.3 Ų90.331%0.31147%0.468SS..Hα-helixtrans-81.2-28.2-175.4-75.6-85.8000113R194 L198 L330R194-F334 HydrophobicContact CB-CD1 4.04Å; R194-F334 HydrophobicContact CB-CE1 4.42Å; R194-F334 WeakPolarHBondContact CD-O 3.43Å; R194-F334 PolarHBondContact NH1-O 3.49Å; L198-F334 HydrophobicContact CD1-CE1 4.11Å; L198-F334 HydrophobicContact CD2-CE1 4.23Å; L198-F334 HydrophobicContact CG-CE1 4.22Å; L330-F334 HydrophobicContact CD2-CE2 4.43Å; L330-F334 WeakPolarHBondContact O-CD2 3.5Å; L330-F334 PolarHBondContact O-N 2.9Å
335F94.7Very high77.2Confident148 Ų14894.7 Ų94.765%0.64950%0.502SS*.SBendtrans-133.673.3-179-55.2-79.3000109.8R331 E332R331-F335 CarbonylContact O-C 3.42Å; R331-F335 WeakPolarHBondContact O-CA 3.48Å; R331-F335 WeakPolarHBondContact O-CB 3.29Å; R331-F335 PolarHBondContact O-N 3.32Å; E332-F335 CarbonylContact O-C 3.47Å
336P91Very high76.5Confident20 Ų2097.4 Ų97.413%0.1351%0.506CS..PPolyproline II helixtrans-62.7140.2-175.926-35.5000111.3A190 E332 N338A190-P336 VanDerWaalsContact O-CB 3.31Å; A190-P336 WeakPolarHBondContact O-CB 3.26Å; A190-P336 WeakPolarHBondContact O-CG 3.33Å; E332-P336 WeakPolarHBondContact O-CA 3.34Å; P336-N338 PolarHBondContact O-N 3.46Å
337P85.8Confident75.7Confident47 Ų4796.7 Ų96.731%0.30550%0.502SS..PPolyproline II helixtrans-60.9130.4177.224.5-33.1000109.8I139I139-P337 HydrophobicContact CG2-CB 3.94Å; I139-P337 HydrophobicContact CG2-CG 3.52Å
338N79.6Confident74.7Confident119 Ų11994.2 Ų94.264%0.63649%0.489SS*.PPolyproline II helixtrans-90.3150.6172.4-70.1-39.7000109.3P336 S340P336-N338 PolarHBondContact O-N 3.46Å; N338-S340 PolarHBondContact O-N 3.23Å; N338-S340 VanDerWaalsContact O-N 3.08Å
339A71.9Confident73.5Confident32 Ų3298.2 Ų98.226%0.26450%0.502SS..PPolyproline II helixtrans-56.7118.3165.600000108S135 L136 I139 Q341S135-A339 WeakPolarHBondContact O-CB 3.27Å; S135-A339 WeakPolarHBondContact OG-CB 3.46Å; L136-A339 HydrophobicContact CD2-CB 4.09Å; I139-A339 HydrophobicContact CD1-CB 4.39Å; A339-Q341 PolarHBondContact O-N 3.3Å; A339-Q341 VanDerWaalsContact O-N 3.16Å
340S57.7Low72.1Confident91 Ų91104.3 Ų104.364%0.63653%0.533SS*.PPolyproline II helixtrans-57.5123.2165.544.20000106.4N338 K342N338-S340 PolarHBondContact O-N 3.23Å; N338-S340 VanDerWaalsContact O-N 3.08Å; S340-K342 PolarHBondContact O-N 2.91Å
341Q47.3Very low70.6Confident183 Ų183107.5 Ų107.586%0.85555%0.549SS*.  trans-57.6113.1160.3-76.4-177.1-9.300104.3A339 K343A339-Q341 PolarHBondContact O-N 3.3Å; A339-Q341 VanDerWaalsContact O-N 3.16Å; Q341-K343 VanDerWaalsContact C-N 3.28Å; Q341-K343 PolarHBondContact O-N 2.8Å
342K43.3Very low68.7Low199 Ų199102 Ų10287%0.86554%0.539SS*.  trans-49.4108.8156.1-89.8-177164.9-175.70104S340 G344S340-K342 PolarHBondContact O-N 2.91Å; K342-G344 VanDerWaalsContact C-N 3.27Å; K342-G344 PolarHBondContact O-N 3.42Å
343K35.4Very low66.8Low202 Ų202109.2 Ų109.288%0.87858%0.577SS**  trans-54.6107.9160.2-81.9-176.2173.2-176.30103.6Q341Q341-K343 VanDerWaalsContact C-N 3.28Å; Q341-K343 PolarHBondContact O-N 2.8Å
344G39.6Very low64.4Low66 Ų66117.9 Ų117.968%0.6862%0.623SS**  trans-69133.2169.700000106.7K342K342-G344 VanDerWaalsContact C-N 3.27Å; K342-G344 PolarHBondContact O-N 3.42Å
345N30.5Very low61.5Low237 Ų237122.2 Ų122.2100%1.26765%0.652SS**  trans83.20-179.3-57.3-3.2000114.9

Retrieved 345 of 345 residues in 172.4 ms (Link to these results)

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