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NADH-ubiquinone oxidoreductase chain 5

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A075DCB1, Species MOUSE (Mus musculus, Mouse), Gene ND5, Length 607 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
1M76.6Confident92.5Very high153 Ų15360.6 Ų60.675%0.75432%0.324SS*.  0-620-66.6-169.4170.900112.1I3 F4 T5 Y61M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.91Å; M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.12Å; M1-F4 VanDerWaalsContact O-N 3.09Å; M1-T5 PolarHBondContact O-N 2.9Å; M1-Y61 HydrophobicContact CB-CE1 4.43Å; M1-Y61 HydrophobicContact CG-CE1 3.97Å; M1-Y61 WeakPolarHBondContact CG-OH 3.48Å
2N89.6Confident92.8Very high129 Ų12957.2 Ų57.269%0.6930%0.304SS*.Hα-helixtrans-57.2-41.7-177.7-64.10.2000114F4 T5 T6N2-F4 PolarHBondContact O-N 3.2Å; N2-T5 PolarHBondContact O-N 2.98Å; N2-T5 PolarHBondContact O-OG1 3.41Å; N2-T6 WeakPolarHBondContact O-CB 3.39Å; N2-T6 VanDerWaalsContact O-CG2 3.31Å; N2-T6 WeakPolarHBondContact O-CG2 3.21Å; N2-T6 PolarHBondContact O-N 3.28Å; N2-T6 PolarHBondContact O-OG1 2.94Å
3I91.8Very high93.1Very high103 Ų10361.5 Ų61.553%0.52833%0.326SS..Hα-helixtrans-56.8-39.2179-62.3161.3000111.5M1 T6 S7 M53M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 2.91Å; I3-T6 VanDerWaalsContact CA-OG1 3.28Å; I3-T6 WeakPolarHBondContact CA-OG1 3.38Å; I3-T6 PolarHBondContact O-OG1 3.3Å; I3-S7 VanDerWaalsContact O-CB 3.25Å; I3-S7 WeakPolarHBondContact O-CB 3.46Å; I3-S7 PolarHBondContact O-N 3.23Å; I3-S7 PolarHBondContact O-OG 2.97Å; I3-S7 VanDerWaalsContact O-OG 3.07Å; I3-M53 HydrophobicContact CB-CE 4.11Å; I3-M53 HydrophobicContact CD1-CE 4.49Å; I3-M53 HydrophobicContact CG2-CE 3.66Å
4F91.9Very high93.5Very high3 Ų360.4 Ų60.41%0.01332%0.319CS..Hα-helixtrans-65.9-52-178.8-168.8-89.5000110.9M1 N2 T6 S7 I8 P50 M53 Y61 I82 I87M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.12Å; M1-F4 VanDerWaalsContact O-N 3.09Å; N2-F4 PolarHBondContact O-N 3.2Å; F4-T6 PolarHBondContact O-N 3.02Å; F4-S7 PolarHBondContact O-N 3.28Å; F4-S7 PolarHBondContact O-OG 2.8Å; F4-I8 HydrophobicContact CE1-CG1 4.44Å; F4-I8 WeakPolarHBondContact O-CG1 3.36Å; F4-I8 PolarHBondContact O-N 2.92Å; F4-I8 VanDerWaalsContact O-N 3.15Å; F4-P50 HydrophobicContact CD2-CB 4.03Å; F4-P50 HydrophobicContact CE2-CB 3.62Å; F4-P50 HydrophobicContact CE2-CG 4.5Å; F4-P50 HydrophobicContact CZ-CB 4.16Å; F4-M53 HydrophobicContact CB-SD 4.45Å; F4-M53 HydrophobicContact CD2-CB 4.28Å; F4-M53 HydrophobicContact CD2-SD 4.3Å; F4-Y61 HydrophobicContact CD1-CD1 4.47Å; F4-Y61 AromaticContact CD1-CD2 3.76Å; F4-Y61 HydrophobicContact CD1-CD2 3.76Å; F4-Y61 HydrophobicContact CD1-CE2 4.28Å; F4-Y61 AromaticContact CD1-CG 3.87Å; F4-Y61 HydrophobicContact CD1-CG 3.87Å; F4-Y61 AromaticContact CE1-CD2 3.59Å; F4-Y61 HydrophobicContact CE1-CD2 3.59Å; F4-Y61 HydrophobicContact CE1-CE2 4.42Å; F4-Y61 AromaticContact CE1-CG 3.84Å; F4-Y61 HydrophobicContact CE1-CG 3.84Å; F4-Y61 HydrophobicContact CE2-CD2 4.4Å; F4-Y61 HydrophobicContact CG-CD2 4.24Å; F4-Y61 HydrophobicContact CG-CE2 4.32Å; F4-Y61 AromaticContact CZ-CD2 3.93Å; F4-Y61 HydrophobicContact CZ-CD2 3.93Å; F4-I82 HydrophobicContact CD1-CD1 4.47Å; F4-I82 HydrophobicContact CE1-CB 3.87Å; F4-I82 HydrophobicContact CE1-CD1 3.9Å; F4-I82 HydrophobicContact CE1-CG2 3.43Å; F4-I82 VanDerWaalsContact CE1-CG2 3.43Å; F4-I82 HydrophobicContact CZ-CB 4.29Å; F4-I82 HydrophobicContact CZ-CG2 3.45Å; F4-I82 VanDerWaalsContact CZ-CG2 3.45Å; F4-I87 HydrophobicContact CE2-CD1 4.19Å; F4-I87 HydrophobicContact CZ-CD1 3.71Å; F4-I87 HydrophobicContact CZ-CG1 4.32Å
5T93.1Very high93.7Very high38 Ų3856.3 Ų56.323%0.23330%0.298CS..Hα-helixtrans-63.9-42.2178.961.10000111.6M1 N2 S7 I8 L9 I63M1-T5 PolarHBondContact O-N 2.9Å; N2-T5 PolarHBondContact O-N 2.98Å; N2-T5 PolarHBondContact O-OG1 3.41Å; T5-S7 PolarHBondContact O-N 3.3Å; T5-I8 PolarHBondContact O-N 3.4Å; T5-L9 WeakPolarHBondContact O-CG 3.47Å; T5-L9 PolarHBondContact O-N 3.09Å; T5-L9 VanDerWaalsContact O-N 3.12Å; T5-I63 HydrophobicContact CG2-CD1 3.58Å; T5-I63 HydrophobicContact CG2-CG1 4.05Å
6T95.2Very high93.9Very high80 Ų8057.7 Ų57.749%0.49131%0.305SS..Hα-helixtrans-63.1-42176.954.20000112.1N2 I3 F4 I8 L9 L10N2-T6 WeakPolarHBondContact O-CB 3.39Å; N2-T6 VanDerWaalsContact O-CG2 3.31Å; N2-T6 WeakPolarHBondContact O-CG2 3.21Å; N2-T6 PolarHBondContact O-N 3.28Å; N2-T6 PolarHBondContact O-OG1 2.94Å; I3-T6 VanDerWaalsContact CA-OG1 3.28Å; I3-T6 WeakPolarHBondContact CA-OG1 3.38Å; I3-T6 PolarHBondContact O-OG1 3.3Å; F4-T6 PolarHBondContact O-N 3.02Å; T6-I8 PolarHBondContact O-N 3.17Å; T6-L9 PolarHBondContact O-N 3.05Å; T6-L10 WeakPolarHBondContact O-CB 2.79Å; T6-L10 PolarHBondContact O-N 2.66Å
7S95.5Very high94Very high8 Ų855.8 Ų55.86%0.05630%0.297CS..Hα-helixtrans-65.4-39.4-179.464.20000112.1I3 F4 T5 L10 I11 V46 P50I3-S7 VanDerWaalsContact O-CB 3.25Å; I3-S7 WeakPolarHBondContact O-CB 3.46Å; I3-S7 PolarHBondContact O-N 3.23Å; I3-S7 PolarHBondContact O-OG 2.97Å; I3-S7 VanDerWaalsContact O-OG 3.07Å; F4-S7 PolarHBondContact O-N 3.28Å; F4-S7 PolarHBondContact O-OG 2.8Å; T5-S7 PolarHBondContact O-N 3.3Å; S7-L10 PolarHBondContact O-N 3.04Å; S7-I11 WeakPolarHBondContact O-CG1 3.44Å; S7-I11 PolarHBondContact O-N 2.73Å; S7-I11 VanDerWaalsContact O-N 3.09Å; S7-V46 WeakPolarHBondContact O-CG1 3.23Å; S7-P50 WeakPolarHBondContact OG-CG 3.44Å
8I94.6Very high94.1Very high9 Ų952.7 Ų52.75%0.04628%0.281CS..Hα-helixtrans-67.9-45.2179.2-66.4-80.3000111.2F4 T5 T6 L10 I11 F12 P50 I82F4-I8 HydrophobicContact CE1-CG1 4.44Å; F4-I8 WeakPolarHBondContact O-CG1 3.36Å; F4-I8 PolarHBondContact O-N 2.92Å; F4-I8 VanDerWaalsContact O-N 3.15Å; T5-I8 PolarHBondContact O-N 3.4Å; T6-I8 PolarHBondContact O-N 3.17Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.44Å; I8-I11 HydrophobicContact CD1-CD1 4.46Å; I8-I11 WeakPolarHBondContact O-CB 3.39Å; I8-I11 PolarHBondContact O-N 3.18Å; I8-F12 HydrophobicContact CG2-CE2 4.38Å; I8-F12 WeakPolarHBondContact O-CD2 3.34Å; I8-P50 HydrophobicContact CD1-CB 4.1Å; I8-P50 HydrophobicContact CD1-CG 3.83Å; I8-P50 HydrophobicContact CG1-CG 3.99Å; I8-I82 HydrophobicContact CB-CD1 4.11Å; I8-I82 HydrophobicContact CD1-CD1 4.4Å; I8-I82 HydrophobicContact CD1-CG2 4.09Å; I8-I82 HydrophobicContact CG1-CD1 3.92Å; I8-I82 HydrophobicContact CG2-CD1 3.77Å; I8-I82 HydrophobicContact CG2-CG1 4.49Å
9L95.4Very high94.1Very high67 Ų6750.6 Ų50.635%0.35127%0.27SS..Hα-helixtrans-64.1-39175.1-72.3166.2000111.8T5 T6 I11 F12 I13 T65T5-L9 WeakPolarHBondContact O-CG 3.47Å; T5-L9 PolarHBondContact O-N 3.09Å; T5-L9 VanDerWaalsContact O-N 3.12Å; T6-L9 PolarHBondContact O-N 3.05Å; L9-I11 VanDerWaalsContact C-N 3.29Å; L9-I11 PolarHBondContact O-N 2.78Å; L9-F12 PolarHBondContact O-N 3.4Å; L9-F12 VanDerWaalsContact O-N 3.15Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 2.83Å; L9-T65 HydrophobicContact CD2-CG2 3.94Å
10L96.9Very high94.2Very high77 Ų7753.7 Ų53.740%0.40329%0.285SS..Hα-helixtrans-64-33179.1-172.2140.5000112.3T6 S7 I8 F12 I13 L14 V46T6-L10 WeakPolarHBondContact O-CB 2.79Å; T6-L10 PolarHBondContact O-N 2.66Å; S7-L10 PolarHBondContact O-N 3.04Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.44Å; L10-F12 PolarHBondContact O-N 3.25Å; L10-I13 PolarHBondContact O-N 3.37Å; L10-L14 HydrophobicContact CD2-CD1 3.5Å; L10-L14 HydrophobicContact CD2-CG 3.85Å; L10-L14 HydrophobicContact CG-CG 4.42Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.24Å; L10-L14 PolarHBondContact O-N 3.08Å; L10-V46 HydrophobicContact CD2-CB 4.27Å; L10-V46 HydrophobicContact CD2-CG1 3.86Å; L10-V46 HydrophobicContact CD2-CG2 3.68Å
11I97.3Very high94.2Very high0 Ų052.7 Ų52.70%028%0.28CS..Hα-helixtrans-57.7-48.2171.9-68.9161.5000110.8S7 I8 L9 L14 L15 V46 M90 L94S7-I11 WeakPolarHBondContact O-CG1 3.44Å; S7-I11 PolarHBondContact O-N 2.73Å; S7-I11 VanDerWaalsContact O-N 3.09Å; I8-I11 HydrophobicContact CD1-CD1 4.46Å; I8-I11 WeakPolarHBondContact O-CB 3.39Å; I8-I11 PolarHBondContact O-N 3.18Å; L9-I11 VanDerWaalsContact C-N 3.29Å; L9-I11 PolarHBondContact O-N 2.78Å; I11-L14 PolarHBondContact O-N 2.91Å; I11-L15 HydrophobicContact CG2-CD1 4.15Å; I11-L15 WeakPolarHBondContact O-CG 3.26Å; I11-L15 PolarHBondContact O-N 2.88Å; I11-L15 VanDerWaalsContact O-N 3.11Å; I11-V46 HydrophobicContact CD1-CG1 4.43Å; I11-V46 HydrophobicContact CG1-CB 4.28Å; I11-V46 HydrophobicContact CG1-CG1 3.92Å; I11-M90 HydrophobicContact CD1-CE 4.49Å; I11-M90 HydrophobicContact CG2-CE 3.67Å; I11-L94 HydrophobicContact CG2-CD1 4.03Å
12F96.2Very high95Very high19 Ų1946.5 Ų46.58%0.08325%0.252CS..Hα-helixtrans-65.6-40.5178.3-72-74000112.1I8 L9 L10 L15 L16 F80 M90 L129 I130I8-F12 HydrophobicContact CG2-CE2 4.38Å; I8-F12 WeakPolarHBondContact O-CD2 3.34Å; L9-F12 PolarHBondContact O-N 3.4Å; L9-F12 VanDerWaalsContact O-N 3.15Å; L10-F12 PolarHBondContact O-N 3.25Å; F12-L15 PolarHBondContact O-N 3.31Å; F12-L16 WeakPolarHBondContact O-CB 3.37Å; F12-L16 VanDerWaalsContact O-CG 3.31Å; F12-L16 WeakPolarHBondContact O-CG 3.41Å; F12-L16 PolarHBondContact O-N 3.12Å; F12-F80 HydrophobicContact CE2-CD1 4.5Å; F12-F80 AromaticContact CE2-CE1 3.98Å; F12-F80 HydrophobicContact CE2-CE1 3.98Å; F12-F80 HydrophobicContact CE2-CZ 4.27Å; F12-F80 HydrophobicContact CZ-CE1 4.03Å; F12-M90 HydrophobicContact CZ-CE 4.43Å; F12-L129 HydrophobicContact CE1-CB 3.76Å; F12-L129 HydrophobicContact CZ-CB 4.11Å; F12-I130 HydrophobicContact CE1-CG1 4.05Å
13I96.8Very high95.2Very high114 Ų11447.5 Ų47.559%0.58525%0.254SS*.Hα-helixtrans-62.2-45.4176.6-66.8170.8000111L9 L10 L15 L16 S17L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 2.83Å; L10-I13 PolarHBondContact O-N 3.37Å; I13-L15 VanDerWaalsContact C-N 3.29Å; I13-L15 PolarHBondContact O-N 3.44Å; I13-L16 PolarHBondContact O-N 3.15Å; I13-S17 PolarHBondContact O-N 3.2Å
14L97.6Very high95.2Very high45 Ų4545.6 Ų45.624%0.23625%0.247CC..Hα-helixtrans-59.4-40.5177.3-75.7179.1000111.8L10 I11 S17 P18 F42 V46L10-L14 HydrophobicContact CD2-CD1 3.5Å; L10-L14 HydrophobicContact CD2-CG 3.85Å; L10-L14 HydrophobicContact CG-CG 4.42Å; L10-L14 WeakPolarHBondContact O-CB 3.49Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.24Å; L10-L14 PolarHBondContact O-N 3.08Å; I11-L14 PolarHBondContact O-N 2.91Å; L14-S17 PolarHBondContact O-N 2.92Å; L14-S17 PolarHBondContact O-OG 2.98Å; L14-P18 WeakPolarHBondContact O-CD 3.23Å; L14-F42 HydrophobicContact CD1-CB 4.13Å; L14-V46 HydrophobicContact CD1-CG2 4.42Å
15L96.6Very high95.1Very high0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-74.9-28.5178.2-68.1174.4000113.7I11 F12 I13 P18 I40 L94 L125 I126 L129I11-L15 HydrophobicContact CG2-CD1 4.15Å; I11-L15 WeakPolarHBondContact O-CG 3.26Å; I11-L15 PolarHBondContact O-N 2.88Å; I11-L15 VanDerWaalsContact O-N 3.11Å; F12-L15 PolarHBondContact O-N 3.31Å; I13-L15 VanDerWaalsContact C-N 3.29Å; I13-L15 PolarHBondContact O-N 3.44Å; L15-P18 WeakPolarHBondContact O-CD 3.22Å; L15-I40 HydrophobicContact CD2-CG1 3.83Å; L15-L94 HydrophobicContact CD1-CD2 4.25Å; L15-L94 HydrophobicContact CD2-CD2 4.42Å; L15-L125 HydrophobicContact CD1-CD2 4.14Å; L15-L125 HydrophobicContact CD1-CG 4.33Å; L15-L125 HydrophobicContact CD2-CD2 3.61Å; L15-I126 HydrophobicContact CB-CD1 3.92Å; L15-I126 HydrophobicContact CB-CG1 3.76Å; L15-I126 HydrophobicContact CD1-CG1 4.29Å; L15-I126 WeakPolarHBondContact O-CD1 3.39Å; L15-L129 HydrophobicContact CD1-CD1 3.21Å
16L96.9Very high94.8Very high78 Ų7853.9 Ų53.941%0.40829%0.29SS..Hα-helixtrans-74.7-28.1173.8-75.1169.8000112.1F12 I13 P18 I19 L20 I126F12-L16 WeakPolarHBondContact O-CB 3.37Å; F12-L16 VanDerWaalsContact O-CG 3.31Å; F12-L16 WeakPolarHBondContact O-CG 3.41Å; F12-L16 PolarHBondContact O-N 3.12Å; I13-L16 PolarHBondContact O-N 3.15Å; L16-P18 VanDerWaalsContact C-CD 3.5Å; L16-I19 HydrophobicContact CD2-CD1 4.45Å; L16-I19 WeakPolarHBondContact O-CB 3.26Å; L16-I19 PolarHBondContact O-N 3.3Å; L16-I19 VanDerWaalsContact O-N 3.08Å; L16-L20 PolarHBondContact O-N 3.37Å; L16-I126 HydrophobicContact CD2-CD1 3.85Å; L16-I126 HydrophobicContact CG-CD1 4.21Å
17S95.9Very high94.2Very high25 Ų2551.2 Ų51.218%0.17527%0.273CS..Hα-helixtrans-53.5-45.3-177.9790000114.5I13 L14 I19 L20 I21 Y35I13-S17 PolarHBondContact O-N 3.2Å; L14-S17 PolarHBondContact O-N 2.92Å; L14-S17 PolarHBondContact O-OG 2.98Å; S17-I19 VanDerWaalsContact C-N 3.32Å; S17-I19 PolarHBondContact O-N 3.16Å; S17-L20 PolarHBondContact O-N 3.43Å; S17-I21 WeakPolarHBondContact O-CD1 2.99Å; S17-I21 VanDerWaalsContact O-CG1 3.27Å; S17-I21 WeakPolarHBondContact O-CG1 3.48Å; S17-I21 PolarHBondContact O-N 2.58Å; S17-Y35 PolarHBondContact OG-OH 3Å
18P95.4Very high93.5Very high0 Ų059 Ų590%031%0.305CS..Hα-helixtrans-71.9-28.6179.5-11.830.5000112.1L14 L15 L16 I21 S22 F32 Y35 T36 S39L14-P18 WeakPolarHBondContact O-CD 3.23Å; L15-P18 WeakPolarHBondContact O-CD 3.22Å; L16-P18 VanDerWaalsContact C-CD 3.5Å; P18-I21 PolarHBondContact O-N 3.47Å; P18-S22 WeakPolarHBondContact O-CB 3.37Å; P18-S22 PolarHBondContact O-N 3.02Å; P18-F32 HydrophobicContact CB-CE2 4.09Å; P18-F32 HydrophobicContact CB-CZ 4.16Å; P18-F32 VanDerWaalsContact O-CE2 3.28Å; P18-F32 WeakPolarHBondContact O-CE2 3.26Å; P18-Y35 HydrophobicContact CB-CD1 4.1Å; P18-Y35 HydrophobicContact CB-CE1 3.96Å; P18-Y35 HydrophobicContact CG-CD1 4.28Å; P18-Y35 HydrophobicContact CG-CE1 3.9Å; P18-T36 HydrophobicContact CB-CG2 3.41Å; P18-T36 VanDerWaalsContact CB-CG2 3.41Å; P18-T36 HydrophobicContact CG-CG2 4.01Å; P18-S39 WeakPolarHBondContact CG-OG 3.4Å
19I95.7Very high93.1Very high14 Ų1468 Ų687%0.07234%0.34CS..Hα-helixtrans-68-44.3175.4-65.8161.5000109.7L16 S17 S22 M23 L123 I126L16-I19 HydrophobicContact CD2-CD1 4.45Å; L16-I19 WeakPolarHBondContact O-CB 3.26Å; L16-I19 PolarHBondContact O-N 3.3Å; L16-I19 VanDerWaalsContact O-N 3.08Å; S17-I19 VanDerWaalsContact C-N 3.32Å; S17-I19 PolarHBondContact O-N 3.16Å; I19-S22 WeakPolarHBondContact O-CB 3.4Å; I19-S22 PolarHBondContact O-N 3.23Å; I19-S22 VanDerWaalsContact O-N 3.16Å; I19-S22 PolarHBondContact O-OG 2.86Å; I19-M23 HydrophobicContact CG2-CE 4.1Å; I19-M23 PolarHBondContact O-N 3.06Å; I19-L123 HydrophobicContact CD1-CD2 3.63Å; I19-L123 HydrophobicContact CD1-CG 3.95Å; I19-L123 HydrophobicContact CG1-CD2 4.29Å; I19-L123 HydrophobicContact CG1-CG 4.3Å; I19-L123 HydrophobicContact CG2-CD2 4.43Å; I19-I126 HydrophobicContact CD1-CD1 3.2Å
20L95.5Very high93Very high112 Ų11268.5 Ų68.559%0.58634%0.342SS*.Hα-helixtrans-60.3-46.3174.5-69.7170.4000111.3L16 S17 S22 M23L16-L20 PolarHBondContact O-N 3.37Å; S17-L20 PolarHBondContact O-N 3.43Å; L20-S22 PolarHBondContact O-N 3.31Å; L20-M23 WeakPolarHBondContact O-CB 3.34Å; L20-M23 PolarHBondContact O-N 2.84Å
21I94.5Very high92.8Very high33 Ų3369.6 Ų69.617%0.16935%0.349CS..Hα-helixtrans-61.6-35177.2-66.5157.9000110.8S17 P18 M23 T24 L26 N27 Y35S17-I21 WeakPolarHBondContact O-CD1 2.99Å; S17-I21 VanDerWaalsContact O-CG1 3.27Å; S17-I21 WeakPolarHBondContact O-CG1 3.48Å; S17-I21 PolarHBondContact O-N 2.58Å; P18-I21 PolarHBondContact O-N 3.47Å; I21-M23 PolarHBondContact O-N 3.01Å; I21-T24 WeakPolarHBondContact O-CB 3.46Å; I21-T24 PolarHBondContact O-N 2.91Å; I21-T24 PolarHBondContact O-OG1 2.94Å; I21-L26 HydrophobicContact CG2-CB 4.2Å; I21-N27 WeakPolarHBondContact CG2-OD1 3.49Å; I21-N27 PolarHBondContact O-OD1 3.07Å; I21-Y35 HydrophobicContact CD1-CD1 4.14Å; I21-Y35 HydrophobicContact CD1-CE1 3.27Å; I21-Y35 HydrophobicContact CD1-CE2 4.16Å; I21-Y35 VanDerWaalsContact CD1-OH 3.22Å; I21-Y35 WeakPolarHBondContact CD1-OH 3.38Å
22S93.5Very high92.7Very high23 Ų2369.7 Ų69.716%0.16135%0.349CS..Hα-helixtrans-66.6-18.3177.282.10000115.6P18 I19 L20 T24 N27 K119P18-S22 WeakPolarHBondContact O-CB 3.37Å; P18-S22 PolarHBondContact O-N 3.02Å; I19-S22 WeakPolarHBondContact O-CB 3.4Å; I19-S22 PolarHBondContact O-N 3.23Å; I19-S22 VanDerWaalsContact O-N 3.16Å; I19-S22 PolarHBondContact O-OG 2.86Å; L20-S22 PolarHBondContact O-N 3.31Å; S22-T24 VanDerWaalsContact C-N 3.3Å; S22-N27 VanDerWaalsContact CA-ND2 3.3Å; S22-N27 WeakPolarHBondContact CA-ND2 3.25Å; S22-N27 WeakPolarHBondContact CB-ND2 3.28Å; S22-K119 WeakPolarHBondContact OG-CD 3.31Å
23M93.1Very high92.7Very high149 Ų14969 Ų6973%0.73435%0.347SS*.THydrogen-bonded Turntrans-81.6-14172-60.6179-179.600112.1I19 L20 I21I19-M23 HydrophobicContact CG2-CE 4.1Å; I19-M23 PolarHBondContact O-N 3.06Å; L20-M23 WeakPolarHBondContact O-CB 3.34Å; L20-M23 PolarHBondContact O-N 2.84Å; I21-M23 PolarHBondContact O-N 3.01Å
24T92.6Very high92.7Very high64 Ų6468.5 Ų68.539%0.39335%0.345SS..SBendtrans-97.7167.4178.674.60000111.9I21 S22 L26I21-T24 WeakPolarHBondContact O-CB 3.46Å; I21-T24 PolarHBondContact O-N 2.91Å; I21-T24 PolarHBondContact O-OG1 2.94Å; S22-T24 VanDerWaalsContact C-N 3.3Å; T24-L26 PolarHBondContact O-N 2.86Å; T24-L26 WeakPolarHBondContact OG1-CB 3.14Å; T24-L26 PolarHBondContact OG1-N 3.38Å
25N88.2Confident92.6Very high123 Ų12370.2 Ų70.266%0.65835%0.348SS*.G310 helixtrans-74-6.4175.6-71.4-31.8000114N27 K28N25-N27 PolarHBondContact O-N 3.11Å; N25-K28 PolarHBondContact O-N 3.22Å
26L88.7Confident92.6Very high91 Ų9170.2 Ų70.248%0.47635%0.348SS..G310 helixtrans-62.9-25.3-177.4-67.1170.2000113.1I21 T24 K28 Y29 I30I21-L26 HydrophobicContact CG2-CB 4.2Å; T24-L26 PolarHBondContact O-N 2.86Å; T24-L26 WeakPolarHBondContact OG1-CB 3.14Å; T24-L26 PolarHBondContact OG1-N 3.38Å; L26-K28 PolarHBondContact O-N 2.87Å; L26-Y29 PolarHBondContact O-N 2.76Å; L26-I30 HydrophobicContact CB-CD1 4.32Å; L26-I30 PolarHBondContact O-N 2.91Å
27N81.5Confident92.7Very high25 Ų2567 Ų6713%0.13433%0.332CS..G310 helixtrans-56.7-21.9177.3-90.521.8000114.6I21 S22 N25 F32I21-N27 WeakPolarHBondContact CG2-OD1 3.49Å; I21-N27 PolarHBondContact O-OD1 3.07Å; S22-N27 VanDerWaalsContact CA-ND2 3.3Å; S22-N27 WeakPolarHBondContact CA-ND2 3.25Å; S22-N27 WeakPolarHBondContact CB-ND2 3.28Å; N25-N27 PolarHBondContact O-N 3.11Å; N27-F32 WeakPolarHBondContact OD1-CD2 3.31Å; N27-F32 WeakPolarHBondContact OD1-CE2 3.5Å
28K81.9Confident92.7Very high170 Ų17068.4 Ų68.474%0.73934%0.34SS*.G310 helixtrans-77.5-25.8177.5-64.4-179.5-178.4176.60112.8N25 L26N25-K28 PolarHBondContact O-N 3.22Å; L26-K28 PolarHBondContact O-N 2.87Å
29Y85.9Confident92.9Very high198 Ų19868.8 Ų68.878%0.77634%0.342SS*.THydrogen-bonded Turntrans-101.9-18.7-172.4-59.3-73.6000113.3L26L26-Y29 PolarHBondContact O-N 2.76Å
30I92.3Very high93Very high78 Ų7868.1 Ų68.140%0.434%0.339SS..SBendtrans-110.6144.7-176.3-55.1173.8000109.4L26 F32L26-I30 HydrophobicContact CB-CD1 4.32Å; L26-I30 PolarHBondContact O-N 2.91Å; I30-F32 VanDerWaalsContact C-N 3.28Å; I30-F32 PolarHBondContact O-N 2.91Å
31N93.9Very high93.1Very high100 Ų10067.1 Ų67.154%0.53533%0.33SS..  trans-68.688165.4-173-8.5000110P33 L34 Y35N31-P33 VanDerWaalsContact OD1-CD 3.26Å; N31-P33 WeakPolarHBondContact OD1-CD 3.31Å; N31-L34 HydrophobicContact CB-CB 4.15Å; N31-L34 PolarHBondContact O-N 3.31Å; N31-L34 VanDerWaalsContact O-N 3.12Å; N31-L34 PolarHBondContact OD1-N 3.46Å; N31-Y35 PolarHBondContact O-N 3.44Å
32F95.1Very high93.2Very high2 Ų271.3 Ų71.31%0.00935%0.347CS..Hα-helixtrans-59.1-41.2-175.8-176.5-100.2000114.1P18 N27 I30 L34 Y35 T36 N115 I118 K119P18-F32 HydrophobicContact CB-CE2 4.09Å; P18-F32 HydrophobicContact CB-CZ 4.16Å; P18-F32 VanDerWaalsContact O-CE2 3.28Å; P18-F32 WeakPolarHBondContact O-CE2 3.26Å; N27-F32 WeakPolarHBondContact OD1-CD2 3.31Å; N27-F32 WeakPolarHBondContact OD1-CE2 3.5Å; I30-F32 VanDerWaalsContact C-N 3.28Å; I30-F32 PolarHBondContact O-N 2.91Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.42Å; F32-Y35 PolarHBondContact O-N 3.29Å; F32-T36 HydrophobicContact CD1-CG2 4.08Å; F32-T36 HydrophobicContact CD2-CG2 4.35Å; F32-T36 HydrophobicContact CE1-CG2 3.71Å; F32-T36 HydrophobicContact CE2-CG2 4Å; F32-T36 HydrophobicContact CG-CG2 4.39Å; F32-T36 HydrophobicContact CZ-CG2 3.66Å; F32-T36 WeakPolarHBondContact O-CB 3.37Å; F32-T36 VanDerWaalsContact O-CG2 3.3Å; F32-T36 WeakPolarHBondContact O-CG2 3.25Å; F32-T36 PolarHBondContact O-N 3.42Å; F32-T36 PolarHBondContact O-OG1 3.38Å; F32-N115 HydrophobicContact CB-CB 4.5Å; F32-N115 HydrophobicContact CD1-CB 3.97Å; F32-N115 WeakPolarHBondContact CE1-O 3.37Å; F32-N115 HydrophobicContact CG-CB 4.47Å; F32-I118 HydrophobicContact CD1-CB 4.19Å; F32-I118 HydrophobicContact CD1-CG2 3.74Å; F32-I118 HydrophobicContact CE1-CB 4.07Å; F32-I118 HydrophobicContact CE1-CG2 3.54Å; F32-K119 HydrophobicContact CE1-CB 4.4Å
33P95.4Very high93.5Very high6 Ų670.2 Ų70.24%0.03934%0.339CS..Hα-helixtrans-55.7-41.4170.4-26.130.6000113.8N31 T36 T37 I114 N115 I118N31-P33 VanDerWaalsContact OD1-CD 3.26Å; N31-P33 WeakPolarHBondContact OD1-CD 3.31Å; P33-T36 WeakPolarHBondContact CA-OG1 3.37Å; P33-T36 PolarHBondContact O-OG1 3.48Å; P33-T37 WeakPolarHBondContact O-CB 3.2Å; P33-T37 WeakPolarHBondContact O-CG2 3.22Å; P33-T37 PolarHBondContact O-N 2.93Å; P33-T37 PolarHBondContact O-OG1 2.97Å; P33-I114 HydrophobicContact CG-CD1 4.27Å; P33-I114 HydrophobicContact CG-CG1 4.37Å; P33-I114 HydrophobicContact CG-CG2 4.47Å; P33-N115 WeakPolarHBondContact CD-OD1 3.29Å; P33-I118 HydrophobicContact CB-CG1 4.25Å; P33-I118 HydrophobicContact CG-CG1 4.15Å
34L96.1Very high93.7Very high103 Ų10364.5 Ų64.554%0.53931%0.311SS..Hα-helixtrans-71-39.7178.5-172.265.8000112N31 F32 T37 T38N31-L34 HydrophobicContact CB-CB 4.15Å; N31-L34 PolarHBondContact O-N 3.31Å; N31-L34 VanDerWaalsContact O-N 3.12Å; N31-L34 PolarHBondContact OD1-N 3.46Å; F32-L34 VanDerWaalsContact C-N 3.32Å; F32-L34 PolarHBondContact O-N 3.42Å; L34-T37 VanDerWaalsContact CA-OG1 3.29Å; L34-T37 WeakPolarHBondContact CA-OG1 3.49Å; L34-T37 PolarHBondContact O-OG1 3.12Å; L34-T38 WeakPolarHBondContact O-CG2 3.35Å; L34-T38 PolarHBondContact O-N 3.39Å; L34-T38 PolarHBondContact O-OG1 2.98Å
35Y96.4Very high93.9Very high80 Ų8065.4 Ų65.431%0.31431%0.312SS..Hα-helixtrans-62.1-44.1175.3179.6-93.9000111.9S17 P18 I21 N31 F32 T38 S39S17-Y35 PolarHBondContact OG-OH 3Å; P18-Y35 HydrophobicContact CB-CD1 4.1Å; P18-Y35 HydrophobicContact CB-CE1 3.96Å; P18-Y35 HydrophobicContact CG-CD1 4.28Å; P18-Y35 HydrophobicContact CG-CE1 3.9Å; I21-Y35 HydrophobicContact CD1-CD1 4.14Å; I21-Y35 HydrophobicContact CD1-CE1 3.27Å; I21-Y35 HydrophobicContact CD1-CE2 4.16Å; I21-Y35 VanDerWaalsContact CD1-OH 3.22Å; I21-Y35 WeakPolarHBondContact CD1-OH 3.38Å; N31-Y35 PolarHBondContact O-N 3.44Å; F32-Y35 PolarHBondContact O-N 3.29Å; Y35-T38 WeakPolarHBondContact CA-OG1 3.3Å; Y35-T38 PolarHBondContact O-N 2.85Å; Y35-T38 PolarHBondContact O-OG1 2.79Å; Y35-S39 PolarHBondContact O-N 3.21Å
36T96.9Very high94.4Very high0 Ų060.8 Ų60.80%029%0.288CS..Hα-helixtrans-68.2-43.9178.851.80000112.1P18 F32 P33 T38 S39 I40 I118 T122P18-T36 HydrophobicContact CB-CG2 3.41Å; P18-T36 VanDerWaalsContact CB-CG2 3.41Å; P18-T36 HydrophobicContact CG-CG2 4.01Å; F32-T36 HydrophobicContact CD1-CG2 4.08Å; F32-T36 HydrophobicContact CD2-CG2 4.35Å; F32-T36 HydrophobicContact CE1-CG2 3.71Å; F32-T36 HydrophobicContact CE2-CG2 4Å; F32-T36 HydrophobicContact CG-CG2 4.39Å; F32-T36 HydrophobicContact CZ-CG2 3.66Å; F32-T36 WeakPolarHBondContact O-CB 3.37Å; F32-T36 VanDerWaalsContact O-CG2 3.3Å; F32-T36 WeakPolarHBondContact O-CG2 3.25Å; F32-T36 PolarHBondContact O-N 3.42Å; F32-T36 PolarHBondContact O-OG1 3.38Å; P33-T36 WeakPolarHBondContact CA-OG1 3.37Å; P33-T36 PolarHBondContact O-OG1 3.48Å; T36-T38 VanDerWaalsContact C-N 3.32Å; T36-T38 PolarHBondContact O-N 3.34Å; T36-S39 WeakPolarHBondContact CA-OG 3.4Å; T36-S39 PolarHBondContact O-N 3.41Å; T36-S39 PolarHBondContact O-OG 3.02Å; T36-I40 WeakPolarHBondContact O-CG1 3.32Å; T36-I40 PolarHBondContact O-N 2.82Å; T36-I118 HydrophobicContact CG2-CG2 3.55Å; T36-I118 WeakPolarHBondContact OG1-CG2 3.41Å; T36-T122 HydrophobicContact CG2-CG2 4.36Å
37T97.4Very high94.8Very high11 Ų1156.6 Ų56.67%0.06727%0.267CS..Hα-helixtrans-59.9-40.9175.549.90000112.3P33 L34 I40 K41 M101P33-T37 WeakPolarHBondContact O-CB 3.2Å; P33-T37 WeakPolarHBondContact O-CG2 3.22Å; P33-T37 PolarHBondContact O-N 2.93Å; P33-T37 PolarHBondContact O-OG1 2.97Å; L34-T37 VanDerWaalsContact CA-OG1 3.29Å; L34-T37 WeakPolarHBondContact CA-OG1 3.49Å; L34-T37 PolarHBondContact O-OG1 3.12Å; T37-I40 PolarHBondContact O-N 3.29Å; T37-K41 WeakPolarHBondContact O-CB 3.38Å; T37-K41 PolarHBondContact O-N 2.79Å; T37-M101 HydrophobicContact CG2-CB 3.5Å
38T97.5Very high95.5Very high55 Ų5558.3 Ų58.334%0.33728%0.276SS..Hα-helixtrans-67.4-40.3175.750.10000112.1L34 Y35 T36 I40 K41 F42L34-T38 WeakPolarHBondContact O-CG2 3.35Å; L34-T38 PolarHBondContact O-N 3.39Å; L34-T38 PolarHBondContact O-OG1 2.98Å; Y35-T38 WeakPolarHBondContact CA-OG1 3.3Å; Y35-T38 PolarHBondContact O-N 2.85Å; Y35-T38 PolarHBondContact O-OG1 2.79Å; T36-T38 VanDerWaalsContact C-N 3.32Å; T36-T38 PolarHBondContact O-N 3.34Å; T38-I40 VanDerWaalsContact C-N 3.33Å; T38-I40 PolarHBondContact O-N 3.3Å; T38-K41 WeakPolarHBondContact O-CB 3.33Å; T38-K41 PolarHBondContact O-N 3.41Å; T38-F42 WeakPolarHBondContact O-CD2 3.41Å; T38-F42 PolarHBondContact O-N 3.2Å
39S97.8Very high96.2Very high7 Ų754.3 Ų54.35%0.04926%0.262CS..Hα-helixtrans-59.3-41.4174.374.50000112.7P18 Y35 T36 F42 S43P18-S39 WeakPolarHBondContact CG-OG 3.4Å; Y35-S39 PolarHBondContact O-N 3.21Å; T36-S39 WeakPolarHBondContact CA-OG 3.4Å; T36-S39 PolarHBondContact O-N 3.41Å; T36-S39 PolarHBondContact O-OG 3.02Å; S39-F42 PolarHBondContact O-N 2.81Å; S39-S43 PolarHBondContact O-N 2.98Å; S39-S43 PolarHBondContact O-OG 3.15Å
40I97.8Very high96.6Very high1 Ų145 Ų451%0.00523%0.225CC..Hα-helixtrans-70.7-37.1177.4-65167.8000111.1L15 T36 T37 T38 F42 S43 F44 L94 W98 M101 T122 L125L15-I40 HydrophobicContact CD2-CG1 3.83Å; T36-I40 WeakPolarHBondContact O-CG1 3.32Å; T36-I40 PolarHBondContact O-N 2.82Å; T37-I40 PolarHBondContact O-N 3.29Å; T38-I40 VanDerWaalsContact C-N 3.33Å; T38-I40 PolarHBondContact O-N 3.3Å; I40-F42 VanDerWaalsContact C-N 3.35Å; I40-F42 PolarHBondContact O-N 3.16Å; I40-S43 WeakPolarHBondContact CA-OG 3.28Å; I40-S43 PolarHBondContact O-N 3.37Å; I40-S43 PolarHBondContact O-OG 3.44Å; I40-F44 WeakPolarHBondContact O-CB 3.4Å; I40-F44 PolarHBondContact O-N 3.15Å; I40-L94 HydrophobicContact CG2-CD2 4.36Å; I40-W98 HydrophobicContact CG2-CB 3.98Å; I40-M101 HydrophobicContact CD1-CB 4.5Å; I40-M101 HydrophobicContact CD1-CE 3.84Å; I40-M101 HydrophobicContact CD1-CG 3.66Å; I40-M101 HydrophobicContact CD1-SD 4.34Å; I40-T122 HydrophobicContact CD1-CG2 4.4Å; I40-L125 HydrophobicContact CD1-CD2 4.25Å; I40-L125 HydrophobicContact CG1-CD2 4.28Å
41K97.9Very high96.8Very high90 Ų9042.1 Ų42.139%0.39121%0.211SC..Hα-helixtrans-60.1-45.7173.5179.8-173.5173.2-172.20111T37 T38 F44 I45 W98T37-K41 WeakPolarHBondContact O-CB 3.38Å; T37-K41 PolarHBondContact O-N 2.79Å; T38-K41 WeakPolarHBondContact O-CB 3.33Å; T38-K41 PolarHBondContact O-N 3.41Å; K41-F44 PolarHBondContact O-N 2.58Å; K41-I45 HydrophobicContact CG-CD1 4.17Å; K41-I45 WeakPolarHBondContact O-CG1 3.28Å; K41-I45 PolarHBondContact O-N 3.15Å; K41-I45 VanDerWaalsContact O-N 3.08Å; K41-W98 HydrophobicContact CB-CD2 4.38Å; K41-W98 HydrophobicContact CB-CG 4.45Å; K41-W98 HydrophobicContact CD-CZ2 3.93Å; K41-W98 HydrophobicContact CG-CD2 4.43Å; K41-W98 HydrophobicContact CG-CH2 4.41Å; K41-W98 HydrophobicContact CG-CZ2 4.04Å
42F98.1Very high96.8Very high121 Ų12142.8 Ų42.853%0.53121%0.214SC..Hα-helixtrans-67-39.8177.3-77.4-64.8000112.2L14 T38 S39 I40 F44 I45 V46L14-F42 HydrophobicContact CD1-CB 4.13Å; T38-F42 WeakPolarHBondContact O-CD2 3.41Å; T38-F42 PolarHBondContact O-N 3.2Å; S39-F42 PolarHBondContact O-N 2.81Å; I40-F42 VanDerWaalsContact C-N 3.35Å; I40-F42 PolarHBondContact O-N 3.16Å; F42-F44 VanDerWaalsContact C-N 3.32Å; F42-F44 PolarHBondContact O-N 3Å; F42-I45 HydrophobicContact CD1-CD1 4.43Å; F42-I45 PolarHBondContact O-N 2.82Å; F42-V46 VanDerWaalsContact O-CG2 3.29Å; F42-V46 WeakPolarHBondContact O-CG2 3.37Å; F42-V46 PolarHBondContact O-N 2.95Å
43S98.1Very high96.8Very high0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-64.6-36.417668.60000112.3S39 I40 V46 S47 L94S39-S43 PolarHBondContact O-N 2.98Å; S39-S43 PolarHBondContact O-OG 3.15Å; I40-S43 WeakPolarHBondContact CA-OG 3.28Å; I40-S43 PolarHBondContact O-N 3.37Å; I40-S43 PolarHBondContact O-OG 3.44Å; S43-V46 PolarHBondContact O-N 3.06Å; S43-S47 WeakPolarHBondContact O-CB 3.46Å; S43-S47 PolarHBondContact O-N 2.79Å; S43-L94 WeakPolarHBondContact OG-CD2 3.41Å
44F97.9Very high96.8Very high30 Ų3045.6 Ų45.613%0.13223%0.227CC..Hα-helixtrans-59.6-49.9170.6170.3-108.2000111.6I40 K41 F42 V46 S47 L48 S91 L94 F95I40-F44 WeakPolarHBondContact O-CB 3.4Å; I40-F44 PolarHBondContact O-N 3.15Å; K41-F44 PolarHBondContact O-N 2.58Å; F42-F44 VanDerWaalsContact C-N 3.32Å; F42-F44 PolarHBondContact O-N 3Å; F44-V46 VanDerWaalsContact C-N 3.29Å; F44-V46 PolarHBondContact O-N 3.02Å; F44-S47 WeakPolarHBondContact O-CB 3.28Å; F44-S47 PolarHBondContact O-N 2.82Å; F44-S47 PolarHBondContact O-OG 2.8Å; F44-L48 HydrophobicContact CE1-CD1 3.93Å; F44-L48 HydrophobicContact CE1-CG 4.45Å; F44-L48 HydrophobicContact CE2-CD2 4.04Å; F44-L48 HydrophobicContact CE2-CG 4.34Å; F44-L48 HydrophobicContact CZ-CD1 3.94Å; F44-L48 HydrophobicContact CZ-CD2 3.93Å; F44-L48 HydrophobicContact CZ-CG 4.12Å; F44-L48 PolarHBondContact O-N 2.85Å; F44-S91 WeakPolarHBondContact CD2-O 3.4Å; F44-L94 HydrophobicContact CB-CB 3.95Å; F44-L94 HydrophobicContact CD2-CB 4.26Å; F44-F95 HydrophobicContact CD1-CD2 4.45Å; F44-F95 HydrophobicContact CD2-CB 3.9Å; F44-F95 HydrophobicContact CD2-CD2 4.38Å; F44-F95 AromaticContact CE1-CD2 3.89Å; F44-F95 HydrophobicContact CE1-CD2 3.89Å; F44-F95 HydrophobicContact CE1-CE2 4.49Å; F44-F95 HydrophobicContact CE2-CB 3.72Å; F44-F95 AromaticContact CE2-CD2 3.82Å; F44-F95 HydrophobicContact CE2-CD2 3.82Å; F44-F95 HydrophobicContact CE2-CG 4.23Å; F44-F95 HydrophobicContact CZ-CB 4.34Å; F44-F95 AromaticContact CZ-CD2 3.55Å; F44-F95 HydrophobicContact CZ-CD2 3.55Å; F44-F95 HydrophobicContact CZ-CE2 4.32Å; F44-F95 HydrophobicContact CZ-CG 4.38Å
45I97.9Very high96.7Very high83 Ų8342.7 Ų42.743%0.42621%0.21SC..Hα-helixtrans-59.1-42.6179.1-66162.6000110.7K41 F42 S47 L48K41-I45 HydrophobicContact CG-CD1 4.17Å; K41-I45 WeakPolarHBondContact O-CG1 3.28Å; K41-I45 PolarHBondContact O-N 3.15Å; K41-I45 VanDerWaalsContact O-N 3.08Å; F42-I45 HydrophobicContact CD1-CD1 4.43Å; F42-I45 PolarHBondContact O-N 2.82Å; I45-S47 VanDerWaalsContact C-N 3.34Å; I45-S47 PolarHBondContact O-N 3.06Å; I45-L48 PolarHBondContact O-N 2.81Å
46V97.7Very high96.6Very high26 Ų2648.3 Ų48.316%0.15823%0.232CC..Hα-helixtrans-64.4-38176.3173.80000111.4S7 L10 I11 L14 F42 S43 F44 L48 L49 P50S7-V46 WeakPolarHBondContact O-CG1 3.23Å; L10-V46 HydrophobicContact CD2-CB 4.27Å; L10-V46 HydrophobicContact CD2-CG1 3.86Å; L10-V46 HydrophobicContact CD2-CG2 3.68Å; I11-V46 HydrophobicContact CD1-CG1 4.43Å; I11-V46 HydrophobicContact CG1-CB 4.28Å; I11-V46 HydrophobicContact CG1-CG1 3.92Å; L14-V46 HydrophobicContact CD1-CG2 4.42Å; F42-V46 VanDerWaalsContact O-CG2 3.29Å; F42-V46 WeakPolarHBondContact O-CG2 3.37Å; F42-V46 PolarHBondContact O-N 2.95Å; S43-V46 PolarHBondContact O-N 3.06Å; F44-V46 VanDerWaalsContact C-N 3.29Å; F44-V46 PolarHBondContact O-N 3.02Å; V46-L48 PolarHBondContact O-N 3.09Å; V46-L49 WeakPolarHBondContact O-CB 3.09Å; V46-L49 PolarHBondContact O-N 2.8Å; V46-L49 VanDerWaalsContact O-N 3.16Å; V46-P50 WeakPolarHBondContact O-CD 3.43Å
47S97.5Very high96.4Very high3 Ų352.3 Ų52.32%0.02125%0.253CS..Hα-helixtrans-65.7-22.7179.277.20000114.3S43 F44 I45 L49 P50 L51S43-S47 WeakPolarHBondContact O-CB 3.46Å; S43-S47 PolarHBondContact O-N 2.79Å; F44-S47 WeakPolarHBondContact O-CB 3.28Å; F44-S47 PolarHBondContact O-N 2.82Å; F44-S47 PolarHBondContact O-OG 2.8Å; I45-S47 VanDerWaalsContact C-N 3.34Å; I45-S47 PolarHBondContact O-N 3.06Å; S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 3.22Å; S47-P50 WeakPolarHBondContact O-CD 3.29Å; S47-L51 PolarHBondContact O-N 2.94Å
48L96.5Very high96.2Very high61 Ų6155.8 Ų55.832%0.31927%0.272SS..Hα-helixtrans-67.8-27.6175.1-66175.1000112.2F44 I45 V46 L51 L52F44-L48 HydrophobicContact CE1-CD1 3.93Å; F44-L48 HydrophobicContact CE1-CG 4.45Å; F44-L48 HydrophobicContact CE2-CD2 4.04Å; F44-L48 HydrophobicContact CE2-CG 4.34Å; F44-L48 HydrophobicContact CZ-CD1 3.94Å; F44-L48 HydrophobicContact CZ-CD2 3.93Å; F44-L48 HydrophobicContact CZ-CG 4.12Å; F44-L48 PolarHBondContact O-N 2.85Å; I45-L48 PolarHBondContact O-N 2.81Å; V46-L48 PolarHBondContact O-N 3.09Å; L48-L51 HydrophobicContact CD2-CD2 4.26Å; L48-L51 PolarHBondContact O-N 3.49Å; L48-L52 WeakPolarHBondContact O-CB 3.29Å; L48-L52 VanDerWaalsContact O-CG 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.27Å; L48-L52 PolarHBondContact O-N 3.07Å
49L95.8Very high96Very high86 Ų8657.9 Ų57.945%0.4528%0.279SS..Hα-helixtrans-64.5-53.1179.3-69.2165.7000111.8V46 S47 L51 L52 M53V46-L49 WeakPolarHBondContact O-CB 3.09Å; V46-L49 PolarHBondContact O-N 2.8Å; V46-L49 VanDerWaalsContact O-N 3.16Å; S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 3.22Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.02Å; L49-L52 PolarHBondContact O-N 3.45Å; L49-M53 WeakPolarHBondContact O-CG 3.35Å; L49-M53 PolarHBondContact O-N 3.45Å
50P95.3Very high95.8Very high1 Ų162.7 Ų62.71%0.00630%0.3CS..Hα-helixtrans-52.7-41.2168.9-31.636.3000114.2F4 S7 I8 V46 S47 M53 F54 I87F4-P50 HydrophobicContact CD2-CB 4.03Å; F4-P50 HydrophobicContact CE2-CB 3.62Å; F4-P50 HydrophobicContact CE2-CG 4.5Å; F4-P50 HydrophobicContact CZ-CB 4.16Å; S7-P50 WeakPolarHBondContact OG-CG 3.44Å; I8-P50 HydrophobicContact CD1-CB 4.1Å; I8-P50 HydrophobicContact CD1-CG 3.83Å; I8-P50 HydrophobicContact CG1-CG 3.99Å; V46-P50 WeakPolarHBondContact O-CD 3.43Å; S47-P50 WeakPolarHBondContact O-CD 3.29Å; P50-M53 PolarHBondContact O-N 3.41Å; P50-F54 VanDerWaalsContact O-CB 3.31Å; P50-F54 WeakPolarHBondContact O-CB 3.06Å; P50-F54 PolarHBondContact O-N 3.41Å; P50-I87 HydrophobicContact CB-CG2 3.94Å
51L95.5Very high95.6Very high19 Ų1964.9 Ų64.910%0.09931%0.309CS..Hα-helixtrans-63.9-46.7-178.3-174.868.3000111.8S47 L48 L49 F54 F55 I87 L88S47-L51 PolarHBondContact O-N 2.94Å; L48-L51 HydrophobicContact CD2-CD2 4.26Å; L48-L51 PolarHBondContact O-N 3.49Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.02Å; L51-F54 PolarHBondContact O-N 3.03Å; L51-F55 HydrophobicContact CD1-CD2 4.45Å; L51-F55 HydrophobicContact CD1-CE1 4.24Å; L51-F55 HydrophobicContact CD1-CE2 3.74Å; L51-F55 HydrophobicContact CD1-CZ 3.61Å; L51-F55 HydrophobicContact CD2-CE2 4.03Å; L51-F55 HydrophobicContact CG-CD2 4.13Å; L51-F55 HydrophobicContact CG-CE2 3.6Å; L51-F55 HydrophobicContact CG-CZ 4.04Å; L51-F55 PolarHBondContact O-N 3.26Å; L51-I87 VanDerWaalsContact CA-CG2 3.49Å; L51-I87 HydrophobicContact CB-CG2 3.87Å; L51-I87 HydrophobicContact CD1-CG2 3.9Å; L51-L88 HydrophobicContact CD1-CB 4.44Å; L51-L88 HydrophobicContact CD1-CD1 3.79Å
52L95.2Very high95.5Very high114 Ų11464.4 Ų64.460%0.59731%0.309SS*.Hα-helixtrans-65.3-42177.1-70.3167.1000111.7L48 L49 F54 F55 Y56L48-L52 WeakPolarHBondContact O-CB 3.29Å; L48-L52 VanDerWaalsContact O-CG 3.31Å; L48-L52 WeakPolarHBondContact O-CG 3.27Å; L48-L52 PolarHBondContact O-N 3.07Å; L49-L52 PolarHBondContact O-N 3.45Å; L52-F54 VanDerWaalsContact C-N 3.29Å; L52-F54 PolarHBondContact O-N 2.92Å; L52-F55 PolarHBondContact O-N 3.27Å; L52-Y56 WeakPolarHBondContact O-CB 3.44Å; L52-Y56 PolarHBondContact O-N 3.03Å
53M94.9Very high95.4Very high61 Ų6159.7 Ų59.730%0.329%0.289SS..Hα-helixtrans-63.3-36.7175.3-72.2-171.8-178.400112.2I3 F4 L49 P50 N57I3-M53 HydrophobicContact CB-CE 4.11Å; I3-M53 HydrophobicContact CD1-CE 4.49Å; I3-M53 HydrophobicContact CG2-CE 3.66Å; F4-M53 HydrophobicContact CB-SD 4.45Å; F4-M53 HydrophobicContact CD2-CB 4.28Å; F4-M53 HydrophobicContact CD2-SD 4.3Å; L49-M53 WeakPolarHBondContact O-CG 3.35Å; L49-M53 PolarHBondContact O-N 3.45Å; P50-M53 PolarHBondContact O-N 3.41Å; M53-N57 WeakPolarHBondContact O-CB 2.95Å; M53-N57 PolarHBondContact O-N 2.71Å
54F94.9Very high95.2Very high6 Ų663.5 Ų63.53%0.02631%0.313CS..Hα-helixtrans-66.5-48.8175.5178.1-93.7000111.2P50 L51 L52 Y56 N57 N58 E60 F84 I87P50-F54 VanDerWaalsContact O-CB 3.31Å; P50-F54 WeakPolarHBondContact O-CB 3.06Å; P50-F54 PolarHBondContact O-N 3.41Å; L51-F54 PolarHBondContact O-N 3.03Å; L52-F54 VanDerWaalsContact C-N 3.29Å; L52-F54 PolarHBondContact O-N 2.92Å; F54-Y56 PolarHBondContact O-N 3.09Å; F54-N57 PolarHBondContact O-N 2.98Å; F54-N58 WeakPolarHBondContact O-CA 2.96Å; F54-N58 PolarHBondContact O-N 3.36Å; F54-N58 PolarHBondContact O-OD1 3.12Å; F54-E60 HydrophobicContact CE2-CG 4.21Å; F54-F84 HydrophobicContact CD1-CD2 4.36Å; F54-F84 HydrophobicContact CE1-CB 3.92Å; F54-F84 AromaticContact CE1-CD2 3.58Å; F54-F84 HydrophobicContact CE1-CD2 3.58Å; F54-F84 HydrophobicContact CE1-CG 4.19Å; F54-F84 HydrophobicContact CE2-CB 4.35Å; F54-F84 HydrophobicContact CZ-CB 3.6Å; F54-F84 HydrophobicContact CZ-CD2 4.15Å; F54-F84 HydrophobicContact CZ-CG 4.31Å; F54-I87 HydrophobicContact CB-CD1 3.73Å; F54-I87 HydrophobicContact CD2-CD1 3.79Å; F54-I87 HydrophobicContact CG-CD1 3.83Å
55F94.1Very high95Very high42 Ų4264.7 Ų64.718%0.18432%0.322CS..Hα-helixtrans-63-30.4178.3-67.6-34.6000113.6L51 L52 F84 L88 N471L51-F55 HydrophobicContact CD1-CD2 4.45Å; L51-F55 HydrophobicContact CD1-CE1 4.24Å; L51-F55 HydrophobicContact CD1-CE2 3.74Å; L51-F55 HydrophobicContact CD1-CZ 3.61Å; L51-F55 HydrophobicContact CD2-CE2 4.03Å; L51-F55 HydrophobicContact CG-CD2 4.13Å; L51-F55 HydrophobicContact CG-CE2 3.6Å; L51-F55 HydrophobicContact CG-CZ 4.04Å; L51-F55 PolarHBondContact O-N 3.26Å; L52-F55 PolarHBondContact O-N 3.27Å; F55-F84 HydrophobicContact CE1-CE2 4.45Å; F55-L88 HydrophobicContact CZ-CD1 4.27Å; F55-N471 HydrophobicContact CD1-CB 4.33Å; F55-N471 WeakPolarHBondContact CD1-O 3.29Å; F55-N471 HydrophobicContact CD2-CB 4Å; F55-N471 HydrophobicContact CE1-CB 4.35Å; F55-N471 HydrophobicContact CE2-CB 4Å; F55-N471 HydrophobicContact CG-CB 4.17Å; F55-N471 HydrophobicContact CZ-CB 4.18Å
56Y93.8Very high94.9Very high197 Ų19768.1 Ų68.177%0.77333%0.33SS*.Hα-helixtrans-77.9-43.8177.9-174.8-104.9000112.9L52 F54L52-Y56 WeakPolarHBondContact O-CB 3.44Å; L52-Y56 PolarHBondContact O-N 3.03Å; F54-Y56 PolarHBondContact O-N 3.09Å
57N93.4Very high94.9Very high84 Ų8470.9 Ų70.945%0.44934%0.341SS..Hα-helixtrans-102.9-18.3-172.3-67.1-35.3000114.8M53 F54 M59M53-N57 WeakPolarHBondContact O-CB 2.95Å; M53-N57 PolarHBondContact O-N 2.71Å; F54-N57 PolarHBondContact O-N 2.98Å; N57-M59 HydrophobicContact CB-CB 4.3Å; N57-M59 HydrophobicContact CB-CG 3.86Å; N57-M59 PolarHBondContact O-N 3.21Å; N57-M59 VanDerWaalsContact O-N 3.12Å
58N93.9Very high94.7Very high84 Ų8476.3 Ų76.345%0.44936%0.361SS..  trans50.728.2-169.5-64.8-34.9000114.5F54F54-N58 WeakPolarHBondContact O-CA 2.96Å; F54-N58 PolarHBondContact O-N 3.36Å; F54-N58 PolarHBondContact O-OD1 3.12Å
59M91.9Very high94.7Very high99 Ų9976.5 Ų76.549%0.48836%0.362SS..  trans-91.2123.2-179.2-66.9-64-68.100111N57 Y61N57-M59 HydrophobicContact CB-CB 4.3Å; N57-M59 HydrophobicContact CB-CG 3.86Å; N57-M59 PolarHBondContact O-N 3.21Å; N57-M59 VanDerWaalsContact O-N 3.12Å; M59-Y61 HydrophobicContact CB-CE2 3.88Å
60E93.9Very high94.7Very high108 Ų10876.3 Ų76.351%0.50536%0.364SS..  trans-86.5142.4169.5-58.2-171.4168.100110.4F54 D83F54-E60 HydrophobicContact CE2-CG 4.21Å; E60-D83 HydrophobicContact CB-CB 4.49Å; E60-D83 HydrophobicContact CG-CB 4.06Å
61Y94Very high94.7Very high48 Ų4881.8 Ų81.819%0.18839%0.391CS..EExtended strand (participates in β ladder)trans-119.9143179.4-74-98.5000111.2M1 F4 M59 I82M1-Y61 HydrophobicContact CB-CE1 4.43Å; M1-Y61 HydrophobicContact CG-CE1 3.97Å; M1-Y61 WeakPolarHBondContact CG-OH 3.48Å; F4-Y61 HydrophobicContact CD1-CD1 4.47Å; F4-Y61 AromaticContact CD1-CD2 3.76Å; F4-Y61 HydrophobicContact CD1-CD2 3.76Å; F4-Y61 HydrophobicContact CD1-CE2 4.28Å; F4-Y61 AromaticContact CD1-CG 3.87Å; F4-Y61 HydrophobicContact CD1-CG 3.87Å; F4-Y61 AromaticContact CE1-CD2 3.59Å; F4-Y61 HydrophobicContact CE1-CD2 3.59Å; F4-Y61 HydrophobicContact CE1-CE2 4.42Å; F4-Y61 AromaticContact CE1-CG 3.84Å; F4-Y61 HydrophobicContact CE1-CG 3.84Å; F4-Y61 HydrophobicContact CE2-CD2 4.4Å; F4-Y61 HydrophobicContact CG-CD2 4.24Å; F4-Y61 HydrophobicContact CG-CE2 4.32Å; F4-Y61 AromaticContact CZ-CD2 3.93Å; F4-Y61 HydrophobicContact CZ-CD2 3.93Å; M59-Y61 HydrophobicContact CB-CE2 3.88Å; Y61-I82 PolarHBondContact N-O 2.97Å; Y61-I82 WeakPolarHBondContact O-CA 3.48Å; Y61-I82 PolarHBondContact O-N 3.31Å
62M95.5Very high94.6Very high79 Ų7989.3 Ų89.339%0.38943%0.431SS..EExtended strand (participates in β ladder)trans-115.6128.8167-178.9-177.5174.200108.3T64 F80 N135 Q199M62-T64 HydrophobicContact CE-CG2 4.01Å; M62-F80 WeakPolarHBondContact CA-O 3.49Å; M62-N135 VanDerWaalsContact CE-ND2 3.34Å; M62-N135 WeakPolarHBondContact CE-ND2 3.05Å; M62-Q199 HydrophobicContact SD-CG 4.3Å; M62-Q199 PolarHBondContact SD-NE2 2.96Å
63I95Very high94.5Very high22 Ų2287.8 Ų87.811%0.11343%0.431CS..EExtended strand (participates in β ladder)trans-119.6127.1178.7-49.5179.5000108.7T5 T65 S79 F80 I82T5-I63 HydrophobicContact CG2-CD1 3.58Å; T5-I63 HydrophobicContact CG2-CG1 4.05Å; I63-T65 HydrophobicContact CG2-CG2 3.65Å; I63-S79 CarbonylContact O-C 3.6Å; I63-S79 VanDerWaalsContact O-CA 3.22Å; I63-S79 WeakPolarHBondContact O-CA 3.47Å; I63-F80 HydrophobicContact CB-CB 4.45Å; I63-F80 PolarHBondContact N-O 3.45Å; I63-F80 PolarHBondContact O-N 3.35Å; I63-I82 HydrophobicContact CD1-CD1 3.29Å; I63-I82 HydrophobicContact CG1-CD1 3.8Å
64T95.3Very high94.4Very high80 Ų8086.1 Ų86.149%0.49142%0.422SS..EExtended strand (participates in β ladder)trans-108.399.5170.655.70000108.2M62 K77M62-T64 HydrophobicContact CE-CG2 4.01Å; T64-K77 HydrophobicContact CG2-CD 3.75Å
65T94.3Very high94.4Very high55 Ų5591.3 Ų91.334%0.33745%0.447SS..EExtended strand (participates in β ladder)trans-84.5-42.5-16951.90000112.3L9 I63 M78 F80L9-T65 HydrophobicContact CD2-CG2 3.94Å; I63-T65 HydrophobicContact CG2-CG2 3.65Å; T65-M78 PolarHBondContact N-O 2.98Å; T65-M78 WeakPolarHBondContact OG1-CG 3.34Å; T65-M78 PolarHBondContact OG1-O 3.07Å; T65-F80 HydrophobicContact CG2-CD2 3.87Å; T65-F80 HydrophobicContact CG2-CE2 3.91Å
66W95.6Very high94.5Very high155 Ų15590.4 Ų90.459%0.58744%0.444SS*.EExtended strand (participates in β ladder)trans-145.1129.3-174.6-173.642.3000110.9W68 K77 M78W66-W68 AromaticContact CH2-CD1 3.75Å; W66-W68 AromaticContact CZ3-CD1 3.76Å; W66-W68 HydrophobicContact CZ3-CG 4.46Å; W66-K77 CarbonylContact O-C 3.15Å; W66-K77 WeakPolarHBondContact O-CA 3.23Å; W66-M78 HydrophobicContact CB-CB 4.33Å; W66-M78 PolarHBondContact O-N 3.34Å
67H96Very high94.6Very high84 Ų8483.1 Ų83.139%0.38942%0.416SS..EExtended strand (participates in β ladder)trans-79.4122.3169.1-178.482.1000108.7T70H67-T70 WeakPolarHBondContact CE1-CG2 3.31Å; H67-T70 VanDerWaalsContact NE2-CG2 3.3Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.47Å
68W94.9Very high94.7Very high118 Ų11883.1 Ų83.145%0.44741%0.414SS..EExtended strand (participates in β ladder)trans-93-63.9-174.5-169.730.9000111.6W66 L76 F138W66-W68 AromaticContact CH2-CD1 3.75Å; W66-W68 AromaticContact CZ3-CD1 3.76Å; W66-W68 HydrophobicContact CZ3-CG 4.46Å; W68-L76 WeakPolarHBondContact CA-O 3.4Å; W68-L76 VanDerWaalsContact CB-O 3.25Å; W68-L76 WeakPolarHBondContact CB-O 3.25Å; W68-L76 HydrophobicContact CE3-CB 4.14Å; W68-L76 HydrophobicContact CE3-CD1 4.23Å; W68-L76 HydrophobicContact CZ3-CD1 4.27Å; W68-L76 PolarHBondContact N-O 3.12Å; W68-F138 HydrophobicContact CE3-CE1 4.32Å; W68-F138 AromaticContact CH2-CE1 3.67Å; W68-F138 HydrophobicContact CH2-CE1 3.67Å; W68-F138 HydrophobicContact CH2-CZ 4.03Å; W68-F138 AromaticContact CZ3-CD1 3.9Å; W68-F138 HydrophobicContact CZ3-CD1 3.9Å; W68-F138 AromaticContact CZ3-CE1 3.25Å; W68-F138 HydrophobicContact CZ3-CE1 3.25Å; W68-F138 AromaticContact CZ3-CZ 3.9Å; W68-F138 HydrophobicContact CZ3-CZ 3.9Å
69I96.2Very high94.8Very high64 Ų6479.1 Ų79.133%0.32839%0.393SS..EExtended strand (participates in β ladder)trans-151.3140.1-177.1-53.3174.2000110.3M71 L76I69-M71 HydrophobicContact CG2-CE 3.87Å; I69-M71 HydrophobicContact CG2-CG 4.27Å; I69-M71 HydrophobicContact CG2-SD 4.17Å; I69-L76 PolarHBondContact N-O 2.77Å; I69-L76 VanDerWaalsContact N-O 3.16Å; I69-L76 PolarHBondContact O-N 3.07Å
70T96.3Very high95Very high82 Ų8275 Ų7550%0.50337%0.372SS..EExtended strand (participates in β ladder)trans-95.2119.4164.253.40000111.1H67 E75H67-T70 WeakPolarHBondContact CE1-CG2 3.31Å; H67-T70 VanDerWaalsContact NE2-CG2 3.3Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.47Å; T70-E75 HydrophobicContact CG2-CG 4.17Å
71M94.6Very high95.1Very high117 Ų11771.8 Ų71.858%0.57636%0.357SS*.EExtended strand (participates in β ladder)trans-108.294.7172.1-67.5-63.3-170.700109.5I69 S73 M74I69-M71 HydrophobicContact CG2-CE 3.87Å; I69-M71 HydrophobicContact CG2-CG 4.27Å; I69-M71 HydrophobicContact CG2-SD 4.17Å; M71-S73 PolarHBondContact O-N 3.07Å; M71-M74 PolarHBondContact N-O 3.15Å; M71-M74 PolarHBondContact O-N 3.2Å
72N93.5Very high95.2Very high176 Ų17669.6 Ų69.694%0.94135%0.348SS*.THydrogen-bonded Turntrans51.8-100.2-171.1-64.8-9.1000111.9
73S92.6Very high95.2Very high83 Ų8366 Ų6658%0.5833%0.33SS*.THydrogen-bonded Turntrans-100.5-4.8179.9540000114.2M71 N194M71-S73 PolarHBondContact O-N 3.07Å; S73-N194 WeakPolarHBondContact CB-ND2 3.49Å; S73-N194 PolarHBondContact OG-ND2 3.23Å
74M93.8Very high95.2Very high25 Ų2565.5 Ų65.512%0.12333%0.327CS..EExtended strand (participates in β ladder)trans-98.4121.2176.5-72.3-134.4-158.600111.5M71 S190 N194M71-M74 PolarHBondContact N-O 3.15Å; M71-M74 PolarHBondContact O-N 3.2Å; M74-S190 VanDerWaalsContact CE-O 3.29Å; M74-S190 WeakPolarHBondContact CE-O 3.47Å; M74-S190 WeakPolarHBondContact CE-OG 3.32Å; M74-N194 VanDerWaalsContact CE-CA 3.47Å; M74-N194 HydrophobicContact CE-CB 4.35Å; M74-N194 WeakPolarHBondContact CE-OD1 3.46Å; M74-N194 WeakPolarHBondContact CG-O 3.2Å
75E94.3Very high95.2Very high115 Ų11562 Ų6254%0.53731%0.306SS..EExtended strand (participates in β ladder)trans-96.9119.9173.2-57.8-171.1175.400111T70T70-E75 HydrophobicContact CG2-CG 4.17Å
76L95.3Very high95.3Very high23 Ų2359.5 Ų59.512%0.1229%0.29CS..EExtended strand (participates in β ladder)trans-93116.5169.7-60.5-176.4000109.4W68 I69 W196W68-L76 WeakPolarHBondContact CA-O 3.4Å; W68-L76 VanDerWaalsContact CB-O 3.25Å; W68-L76 WeakPolarHBondContact CB-O 3.25Å; W68-L76 HydrophobicContact CE3-CB 4.14Å; W68-L76 HydrophobicContact CE3-CD1 4.23Å; W68-L76 HydrophobicContact CZ3-CD1 4.27Å; W68-L76 PolarHBondContact N-O 3.12Å; I69-L76 PolarHBondContact N-O 2.77Å; I69-L76 VanDerWaalsContact N-O 3.16Å; I69-L76 PolarHBondContact O-N 3.07Å; L76-W196 HydrophobicContact CD1-CZ3 3.92Å; L76-W196 HydrophobicContact CD2-CD2 4.41Å; L76-W196 HydrophobicContact CD2-CE3 3.29Å; L76-W196 HydrophobicContact CD2-CZ3 3.37Å; L76-W196 HydrophobicContact CG-CZ3 4.28Å
77K95.6Very high95.3Very high45 Ų4552.3 Ų52.320%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-126.7148.8176.364.4-167.7-169.7-138.30111T64 W66 S79 N136 E197T64-K77 HydrophobicContact CG2-CD 3.75Å; W66-K77 CarbonylContact O-C 3.15Å; W66-K77 WeakPolarHBondContact O-CA 3.23Å; K77-S79 PolarHBondContact O-N 3.45Å; K77-N136 PolarHBondContact O-ND2 2.98Å; K77-E197 WeakPolarHBondContact CE-OE1 3.45Å; K77-E197 WeakPolarHBondContact CE-OE2 3.35Å; K77-E197 IonicContact NZ-OE1 2.99Å; K77-E197 PolarHBondContact NZ-OE1 3.46Å; K77-E197 IonicContact NZ-OE2 2.72Å; K77-E197 PolarHBondContact NZ-OE2 2.95Å
78M96.1Very high95.3Very high84 Ų8448.4 Ų48.441%0.41425%0.245SC..EExtended strand (participates in β ladder)trans-73.4110.3165.3-176.6178.4-7500107.5T65 W66 F80T65-M78 PolarHBondContact N-O 2.98Å; T65-M78 WeakPolarHBondContact OG1-CG 3.34Å; T65-M78 PolarHBondContact OG1-O 3.07Å; W66-M78 HydrophobicContact CB-CB 4.33Å; W66-M78 PolarHBondContact O-N 3.34Å; M78-F80 HydrophobicContact CG-CE2 4.01Å; M78-F80 HydrophobicContact CG-CZ 4.15Å; M78-F80 HydrophobicContact SD-CE2 4.1Å; M78-F80 HydrophobicContact SD-CZ 4.12Å
79S96.3Very high95.4Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-133.1130.5-174.956.90000112.1I63 K77 N135 N136 Q139I63-S79 CarbonylContact O-C 3.6Å; I63-S79 VanDerWaalsContact O-CA 3.22Å; I63-S79 WeakPolarHBondContact O-CA 3.47Å; K77-S79 PolarHBondContact O-N 3.45Å; S79-N135 WeakPolarHBondContact O-CB 3.01Å; S79-N135 PolarHBondContact O-N 3.22Å; S79-N135 WeakPolarHBondContact OG-CB 3.4Å; S79-N136 PolarHBondContact OG-ND2 2.78Å; S79-N136 VanDerWaalsContact OG-ND2 3.09Å; S79-N136 PolarHBondContact OG-OD1 3.28Å; S79-Q139 VanDerWaalsContact N-OE1 3.1Å; S79-Q139 PolarHBondContact O-OE1 3.48Å; S79-Q139 VanDerWaalsContact O-OE1 3.06Å
80F96.4Very high95.4Very high11 Ų1140.2 Ų40.25%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-107.4124.7-179.8-63.2-72.2000110.2F12 M62 I63 T65 M78 I82 S133F12-F80 HydrophobicContact CE2-CD1 4.5Å; F12-F80 AromaticContact CE2-CE1 3.98Å; F12-F80 HydrophobicContact CE2-CE1 3.98Å; F12-F80 HydrophobicContact CE2-CZ 4.27Å; F12-F80 HydrophobicContact CZ-CE1 4.03Å; M62-F80 WeakPolarHBondContact CA-O 3.49Å; I63-F80 HydrophobicContact CB-CB 4.45Å; I63-F80 PolarHBondContact N-O 3.45Å; I63-F80 PolarHBondContact O-N 3.35Å; T65-F80 HydrophobicContact CG2-CD2 3.87Å; T65-F80 HydrophobicContact CG2-CE2 3.91Å; M78-F80 HydrophobicContact CG-CE2 4.01Å; M78-F80 HydrophobicContact CG-CZ 4.15Å; M78-F80 HydrophobicContact SD-CE2 4.1Å; M78-F80 HydrophobicContact SD-CZ 4.12Å; F80-I82 HydrophobicContact CB-CD1 4.49Å; F80-I82 HydrophobicContact CB-CG1 4.22Å; F80-S133 CarbonylContact C-O 3.6Å; F80-S133 WeakPolarHBondContact CA-O 3.21Å; F80-S133 VanDerWaalsContact CD1-OG 3.27Å; F80-S133 WeakPolarHBondContact CD1-OG 3.44Å
81K96.1Very high95.4Very high41 Ų4136.6 Ų36.618%0.17819%0.189CC..EExtended strand (participates in β ladder)trans-98106.6170.2-179.9172.4177.7177.70108.5D83 S86 S133 N135 L198K81-D83 HydrophobicContact CG-CB 4.49Å; K81-S86 PolarHBondContact O-OG 3.48Å; K81-S133 PolarHBondContact N-O 3.45Å; K81-N135 HydrophobicContact CB-CB 3.8Å; K81-L198 HydrophobicContact CD-CD1 4.17Å
82I96Very high95.6Very high2 Ų231.3 Ų31.31%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-105.282.8-175.5-48.4166.5000109F4 I8 Y61 I63 F80 S86 I87F4-I82 HydrophobicContact CD1-CD1 4.47Å; F4-I82 HydrophobicContact CE1-CB 3.87Å; F4-I82 HydrophobicContact CE1-CD1 3.9Å; F4-I82 HydrophobicContact CE1-CG2 3.43Å; F4-I82 VanDerWaalsContact CE1-CG2 3.43Å; F4-I82 HydrophobicContact CZ-CB 4.29Å; F4-I82 HydrophobicContact CZ-CG2 3.45Å; F4-I82 VanDerWaalsContact CZ-CG2 3.45Å; I8-I82 HydrophobicContact CB-CD1 4.11Å; I8-I82 HydrophobicContact CD1-CD1 4.4Å; I8-I82 HydrophobicContact CD1-CG2 4.09Å; I8-I82 HydrophobicContact CG1-CD1 3.92Å; I8-I82 HydrophobicContact CG2-CD1 3.77Å; I8-I82 HydrophobicContact CG2-CG1 4.49Å; Y61-I82 PolarHBondContact N-O 2.97Å; Y61-I82 WeakPolarHBondContact O-CA 3.48Å; Y61-I82 PolarHBondContact O-N 3.31Å; I63-I82 HydrophobicContact CD1-CD1 3.29Å; I63-I82 HydrophobicContact CG1-CD1 3.8Å; F80-I82 HydrophobicContact CB-CD1 4.49Å; F80-I82 HydrophobicContact CB-CG1 4.22Å; I82-S86 VanDerWaalsContact CA-OG 3.25Å; I82-S86 WeakPolarHBondContact CA-OG 3.38Å; I82-I87 HydrophobicContact CG2-CD1 3.74Å; I82-I87 HydrophobicContact CG2-CG1 3.33Å
83D95.3Very high95.7Very high3 Ų323 Ų232%0.01612%0.118CC..SBendtrans-110.8-178.717765-10.9000111.7E60 K81 F85 S86 I87 R262E60-D83 HydrophobicContact CB-CB 4.49Å; E60-D83 HydrophobicContact CG-CB 4.06Å; K81-D83 HydrophobicContact CG-CB 4.49Å; D83-F85 PolarHBondContact O-N 3.07Å; D83-F85 VanDerWaalsContact O-N 3.15Å; D83-F85 PolarHBondContact OD1-N 3.29Å; D83-F85 WeakPolarHBondContact OD2-CD2 3.06Å; D83-S86 PolarHBondContact N-OG 3.15Å; D83-S86 PolarHBondContact O-N 3.42Å; D83-S86 VanDerWaalsContact O-N 3.15Å; D83-S86 PolarHBondContact O-OG 3.09Å; D83-S86 PolarHBondContact OD1-N 3.16Å; D83-S86 PolarHBondContact OD1-OG 3.5Å; D83-I87 WeakPolarHBondContact O-CG1 3.11Å; D83-I87 PolarHBondContact O-N 3.03Å; D83-R262 IonicContact OD1-CZ 2.69Å; D83-R262 IonicContact OD1-NH1 3.16Å; D83-R262 PolarHBondContact OD1-NH1 3.33Å; D83-R262 IonicContact OD1-NH2 3.73Å; D83-R262 PolarHBondContact OD1-NH2 3.48Å; D83-R262 IonicContact OD2-CZ 2.98Å; D83-R262 VanDerWaalsContact OD2-CZ 3.32Å; D83-R262 IonicContact OD2-NH1 2.62Å; D83-R262 PolarHBondContact OD2-NH1 2.9Å; D83-R262 IonicContact OD2-NH2 3.42Å
84F95.1Very high95.9Very high12 Ų1219 Ų195%0.0539%0.091CC..Hα-helixtrans-45.6-46.6175.9174.8-117.7000112.9F54 F55 L88 Y323 F326 M472F54-F84 HydrophobicContact CD1-CD2 4.36Å; F54-F84 HydrophobicContact CE1-CB 3.92Å; F54-F84 AromaticContact CE1-CD2 3.58Å; F54-F84 HydrophobicContact CE1-CD2 3.58Å; F54-F84 HydrophobicContact CE1-CG 4.19Å; F54-F84 HydrophobicContact CE2-CB 4.35Å; F54-F84 HydrophobicContact CZ-CB 3.6Å; F54-F84 HydrophobicContact CZ-CD2 4.15Å; F54-F84 HydrophobicContact CZ-CG 4.31Å; F55-F84 HydrophobicContact CE1-CE2 4.45Å; F84-L88 HydrophobicContact CE2-CD2 4.02Å; F84-L88 HydrophobicContact CZ-CD2 3.9Å; F84-L88 WeakPolarHBondContact O-CB 3.12Å; F84-L88 PolarHBondContact O-N 3.15Å; F84-Y323 AromaticContact CD1-CD1 3.98Å; F84-Y323 HydrophobicContact CD1-CD1 3.98Å; F84-Y323 HydrophobicContact CD1-CE1 4.19Å; F84-Y323 HydrophobicContact CE1-CD1 4.06Å; F84-F326 HydrophobicContact CD1-CD1 4.14Å; F84-F326 HydrophobicContact CD1-CE1 4.17Å; F84-F326 AromaticContact CE1-CD1 3.58Å; F84-F326 HydrophobicContact CE1-CD1 3.58Å; F84-F326 AromaticContact CE1-CE1 3.83Å; F84-F326 HydrophobicContact CE1-CE1 3.83Å; F84-F326 HydrophobicContact CZ-CD1 4.21Å; F84-F326 HydrophobicContact CZ-CE1 4.22Å; F84-M472 HydrophobicContact CE2-CB 4.26Å; F84-M472 HydrophobicContact CZ-CB 4.23Å
85F96Very high96.1Very high8 Ų819.3 Ų19.34%0.0359%0.091CC..Hα-helixtrans-64.3-46.8-176.8-57.8-54.3000112.3D83 F89 F258 V261 Y323 F326D83-F85 PolarHBondContact O-N 3.07Å; D83-F85 VanDerWaalsContact O-N 3.15Å; D83-F85 PolarHBondContact OD1-N 3.29Å; D83-F85 WeakPolarHBondContact OD2-CD2 3.06Å; F85-F89 WeakPolarHBondContact O-CB 3.49Å; F85-F89 PolarHBondContact O-N 3.37Å; F85-F258 HydrophobicContact CB-CE2 3.94Å; F85-F258 HydrophobicContact CB-CZ 4.4Å; F85-V261 HydrophobicContact CD1-CG1 3.74Å; F85-V261 HydrophobicContact CD2-CG1 4.22Å; F85-V261 HydrophobicContact CE1-CG1 3.41Å; F85-V261 VanDerWaalsContact CE1-CG1 3.41Å; F85-V261 HydrophobicContact CE2-CG1 3.94Å; F85-V261 HydrophobicContact CG-CG1 4.14Å; F85-V261 HydrophobicContact CZ-CG1 3.52Å; F85-Y323 AromaticContact CE1-CD1 3.7Å; F85-Y323 HydrophobicContact CE1-CD1 3.7Å; F85-Y323 AromaticContact CE1-CE1 3.85Å; F85-Y323 HydrophobicContact CE1-CE1 3.85Å; F85-Y323 HydrophobicContact CE2-CE1 4.23Å; F85-Y323 AromaticContact CZ-CD1 3.69Å; F85-Y323 HydrophobicContact CZ-CD1 3.69Å; F85-Y323 AromaticContact CZ-CE1 3.4Å; F85-Y323 HydrophobicContact CZ-CE1 3.4Å; F85-Y323 VanDerWaalsContact CZ-CE1 3.4Å; F85-Y323 HydrophobicContact CZ-CG 4.44Å; F85-Y323 AromaticContact CZ-CZ 3.97Å; F85-F326 VanDerWaalsContact CA-CZ 3.5Å; F85-F326 HydrophobicContact CB-CE2 4.21Å; F85-F326 HydrophobicContact CB-CZ 4.21Å; F85-F326 HydrophobicContact CD1-CB 4.03Å; F85-F326 AromaticContact CD1-CD1 3.56Å; F85-F326 HydrophobicContact CD1-CD1 3.56Å; F85-F326 AromaticContact CD1-CD2 3.82Å; F85-F326 HydrophobicContact CD1-CD2 3.82Å; F85-F326 AromaticContact CD1-CE1 3.89Å; F85-F326 HydrophobicContact CD1-CE1 3.89Å; F85-F326 HydrophobicContact CD1-CE2 4.18Å; F85-F326 AromaticContact CD1-CG 3.51Å; F85-F326 HydrophobicContact CD1-CG 3.51Å; F85-F326 HydrophobicContact CD1-CZ 4.23Å; F85-F326 HydrophobicContact CE1-CB 3.97Å; F85-F326 HydrophobicContact CE1-CD1 4.08Å; F85-F326 AromaticContact CE1-CG 3.96Å; F85-F326 HydrophobicContact CE1-CG 3.96Å; F85-F326 WeakPolarHBondContact O-CZ 3.2Å
86S95.8Very high96.3Very high2 Ų213.8 Ų13.81%0.0147%0.066CC..Hα-helixtrans-66.3-50178.556.40000112.4K81 I82 D83 L88 F89 M90 R262K81-S86 PolarHBondContact O-OG 3.48Å; I82-S86 VanDerWaalsContact CA-OG 3.25Å; I82-S86 WeakPolarHBondContact CA-OG 3.38Å; D83-S86 PolarHBondContact N-OG 3.15Å; D83-S86 PolarHBondContact O-N 3.42Å; D83-S86 VanDerWaalsContact O-N 3.15Å; D83-S86 PolarHBondContact O-OG 3.09Å; D83-S86 PolarHBondContact OD1-N 3.16Å; D83-S86 PolarHBondContact OD1-OG 3.5Å; S86-L88 PolarHBondContact O-N 2.81Å; S86-F89 PolarHBondContact O-N 2.88Å; S86-M90 WeakPolarHBondContact O-CB 3.4Å; S86-M90 WeakPolarHBondContact O-CG 3.42Å; S86-M90 PolarHBondContact O-N 3.48Å; S86-R262 VanDerWaalsContact CB-NH2 3.32Å
87I95.8Very high96.3Very high3 Ų312.8 Ų12.82%0.0156%0.06CC..Hα-helixtrans-65.6-46.2-169.7-58.4163.8000110.3F4 P50 L51 F54 I82 D83 S91F4-I87 HydrophobicContact CE2-CD1 4.19Å; F4-I87 HydrophobicContact CZ-CD1 3.71Å; F4-I87 HydrophobicContact CZ-CG1 4.32Å; P50-I87 HydrophobicContact CB-CG2 3.94Å; L51-I87 VanDerWaalsContact CA-CG2 3.49Å; L51-I87 HydrophobicContact CB-CG2 3.87Å; L51-I87 HydrophobicContact CD1-CG2 3.9Å; F54-I87 HydrophobicContact CB-CD1 3.73Å; F54-I87 HydrophobicContact CD2-CD1 3.79Å; F54-I87 HydrophobicContact CG-CD1 3.83Å; I82-I87 HydrophobicContact CG2-CD1 3.74Å; I82-I87 HydrophobicContact CG2-CG1 3.33Å; D83-I87 WeakPolarHBondContact O-CG1 3.11Å; D83-I87 PolarHBondContact O-N 3.03Å; I87-S91 PolarHBondContact O-N 3.38Å
88L96.3Very high96.4Very high2 Ų212.8 Ų12.81%0.016%0.059CC..Hα-helixtrans-64.6-46.7178.5-168.771.5000110.5L51 F55 F84 S86 M90 S91 V92 F326 C330 I468L51-L88 HydrophobicContact CD1-CB 4.44Å; L51-L88 HydrophobicContact CD1-CD1 3.79Å; F55-L88 HydrophobicContact CZ-CD1 4.27Å; F84-L88 HydrophobicContact CE2-CD2 4.02Å; F84-L88 HydrophobicContact CZ-CD2 3.9Å; F84-L88 WeakPolarHBondContact O-CB 3.12Å; F84-L88 PolarHBondContact O-N 3.15Å; S86-L88 PolarHBondContact O-N 2.81Å; L88-M90 PolarHBondContact O-N 3.42Å; L88-S91 PolarHBondContact O-N 3.17Å; L88-S91 PolarHBondContact O-OG 3.19Å; L88-V92 WeakPolarHBondContact O-CG2 3.41Å; L88-V92 PolarHBondContact O-N 3.05Å; L88-V92 VanDerWaalsContact O-N 3.08Å; L88-F326 HydrophobicContact CB-CE1 3.91Å; L88-F326 HydrophobicContact CB-CZ 4.08Å; L88-F326 HydrophobicContact CD2-CD1 4.29Å; L88-F326 HydrophobicContact CD2-CE1 3.56Å; L88-F326 HydrophobicContact CD2-CZ 4.29Å; L88-F326 HydrophobicContact CG-CE1 4.22Å; L88-C330 HydrophobicContact CD2-CB 4.35Å; L88-C330 VanDerWaalsContact CD2-SG 3.58Å; L88-I468 HydrophobicContact CD1-CD1 4.32Å; L88-I468 HydrophobicContact CD1-CG1 4.15Å; L88-I468 HydrophobicContact CD1-CG2 4.43Å; L88-I468 HydrophobicContact CD2-CG2 3.84Å
89F96.6Very high96.5Very high4 Ų48.8 Ų8.82%0.0184%0.039CC..Hα-helixtrans-62.7-42.6-179.6-173.5-89.3000112.4F85 S86 S91 V92 A93 M128 T132 S250 V254 F326 I329F85-F89 WeakPolarHBondContact O-CB 3.49Å; F85-F89 PolarHBondContact O-N 3.37Å; S86-F89 PolarHBondContact O-N 2.88Å; F89-S91 VanDerWaalsContact C-N 3.33Å; F89-S91 PolarHBondContact O-N 3.45Å; F89-V92 PolarHBondContact O-N 3.17Å; F89-A93 HydrophobicContact CD1-CB 4.27Å; F89-A93 HydrophobicContact CE1-CB 3.91Å; F89-A93 HydrophobicContact CZ-CB 4.4Å; F89-A93 VanDerWaalsContact O-CB 3.24Å; F89-A93 WeakPolarHBondContact O-CB 3.34Å; F89-A93 PolarHBondContact O-N 3.28Å; F89-M128 HydrophobicContact CE1-CE 3.64Å; F89-M128 HydrophobicContact CE1-CG 3.98Å; F89-M128 HydrophobicContact CE2-CE 4.3Å; F89-M128 HydrophobicContact CZ-CE 3.38Å; F89-M128 HydrophobicContact CZ-CG 4.3Å; F89-T132 HydrophobicContact CD1-CG2 3.3Å; F89-T132 HydrophobicContact CE1-CG2 3.39Å; F89-T132 HydrophobicContact CG-CG2 4.07Å; F89-T132 HydrophobicContact CZ-CG2 4.19Å; F89-S250 VanDerWaalsContact CE2-O 3.22Å; F89-S250 WeakPolarHBondContact CE2-O 3.45Å; F89-S250 WeakPolarHBondContact CZ-O 3.34Å; F89-V254 HydrophobicContact CE2-CG1 4.15Å; F89-F326 HydrophobicContact CB-CE2 4.09Å; F89-F326 HydrophobicContact CB-CZ 4.01Å; F89-F326 HydrophobicContact CD2-CE2 4.43Å; F89-I329 HydrophobicContact CD2-CG2 4.28Å; F89-I329 HydrophobicContact CE2-CG2 4.23Å
90M95.9Very high96.6Very high6 Ų68.8 Ų8.83%0.034%0.039CC..Hα-helixtrans-56.1-47.7176.5-70.1-80.2-53.500110.7I11 F12 S86 L88 L94 L129I11-M90 HydrophobicContact CD1-CE 4.49Å; I11-M90 HydrophobicContact CG2-CE 3.67Å; F12-M90 HydrophobicContact CZ-CE 4.43Å; S86-M90 WeakPolarHBondContact O-CB 3.4Å; S86-M90 WeakPolarHBondContact O-CG 3.42Å; S86-M90 PolarHBondContact O-N 3.48Å; L88-M90 PolarHBondContact O-N 3.42Å; M90-L94 WeakPolarHBondContact O-CB 3.37Å; M90-L94 WeakPolarHBondContact O-CG 3.03Å; M90-L94 PolarHBondContact O-N 2.99Å; M90-L129 HydrophobicContact CB-CD2 4.42Å; M90-L129 HydrophobicContact CE-CB 3.93Å; M90-L129 HydrophobicContact CE-CD1 3.76Å; M90-L129 HydrophobicContact CE-CD2 3.64Å; M90-L129 HydrophobicContact CE-CG 3.91Å; M90-L129 HydrophobicContact CG-CD2 4.23Å; M90-L129 HydrophobicContact SD-CB 3.53Å; M90-L129 VanDerWaalsContact SD-CB 3.53Å; M90-L129 HydrophobicContact SD-CD1 4.24Å; M90-L129 HydrophobicContact SD-CD2 3.12Å; M90-L129 WeakPolarHBondContact SD-CD2 3.33Å; M90-L129 HydrophobicContact SD-CG 3.7Å
91S96.9Very high96.6Very high7 Ų78.4 Ų8.45%0.0494%0.038CC..Hα-helixtrans-63.9-43.2179.971.60000112.6F44 I87 L88 F89 F95F44-S91 WeakPolarHBondContact CD2-O 3.4Å; I87-S91 PolarHBondContact O-N 3.38Å; L88-S91 PolarHBondContact O-N 3.17Å; L88-S91 PolarHBondContact O-OG 3.19Å; F89-S91 VanDerWaalsContact C-N 3.33Å; F89-S91 PolarHBondContact O-N 3.45Å; S91-F95 WeakPolarHBondContact O-CB 3.34Å; S91-F95 PolarHBondContact O-N 3.31Å
92V97.3Very high96.6Very high6 Ų67.6 Ų7.64%0.0364%0.035CC..Hα-helixtrans-67.1-45.7178.8174.40000110.9L88 F89 L94 F95 V96 C330 A333 F334L88-V92 WeakPolarHBondContact O-CG2 3.41Å; L88-V92 PolarHBondContact O-N 3.05Å; L88-V92 VanDerWaalsContact O-N 3.08Å; F89-V92 PolarHBondContact O-N 3.17Å; V92-L94 PolarHBondContact O-N 2.84Å; V92-F95 PolarHBondContact O-N 2.64Å; V92-V96 HydrophobicContact CG1-CG2 4.49Å; V92-V96 WeakPolarHBondContact O-CG2 3.39Å; V92-V96 PolarHBondContact O-N 2.84Å; V92-C330 HydrophobicContact CG2-CB 4.23Å; V92-A333 HydrophobicContact CG1-CB 3.72Å; V92-F334 HydrophobicContact CG1-CE2 4.06Å; V92-F334 HydrophobicContact CG1-CZ 4.11Å; V92-F334 HydrophobicContact CG2-CE2 4.21Å; V92-F334 HydrophobicContact CG2-CZ 4.14Å
93A96.7Very high96.7Very high0 Ų07.5 Ų7.50%03%0.034CC..Hα-helixtrans-61.5-44.1178.600000111.4F89 V96 T97 L129F89-A93 HydrophobicContact CD1-CB 4.27Å; F89-A93 HydrophobicContact CE1-CB 3.91Å; F89-A93 HydrophobicContact CZ-CB 4.4Å; F89-A93 VanDerWaalsContact O-CB 3.24Å; F89-A93 WeakPolarHBondContact O-CB 3.34Å; F89-A93 PolarHBondContact O-N 3.28Å; A93-V96 PolarHBondContact O-N 2.98Å; A93-T97 WeakPolarHBondContact O-CB 3.49Å; A93-T97 VanDerWaalsContact O-CG2 3.26Å; A93-T97 WeakPolarHBondContact O-CG2 3.37Å; A93-T97 PolarHBondContact O-N 2.98Å; A93-T97 PolarHBondContact O-OG1 2.97Å; A93-L129 HydrophobicContact CB-CD2 4.25Å
94L97.4Very high96.7Very high0 Ų07.4 Ų7.40%03%0.033CC..Hα-helixtrans-64.8-39.1176.7-69.4172.9000112.4I11 L15 I40 S43 F44 M90 V92 T97 W98 L125 L129I11-L94 HydrophobicContact CG2-CD1 4.03Å; L15-L94 HydrophobicContact CD1-CD2 4.25Å; L15-L94 HydrophobicContact CD2-CD2 4.42Å; I40-L94 HydrophobicContact CG2-CD2 4.36Å; S43-L94 WeakPolarHBondContact OG-CD2 3.41Å; F44-L94 HydrophobicContact CB-CB 3.95Å; F44-L94 HydrophobicContact CD2-CB 4.26Å; M90-L94 WeakPolarHBondContact O-CB 3.37Å; M90-L94 WeakPolarHBondContact O-CG 3.03Å; M90-L94 PolarHBondContact O-N 2.99Å; V92-L94 PolarHBondContact O-N 2.84Å; L94-T97 WeakPolarHBondContact CA-OG1 3.14Å; L94-T97 PolarHBondContact O-OG1 3.3Å; L94-T97 VanDerWaalsContact O-OG1 3.11Å; L94-W98 WeakPolarHBondContact O-CB 3.13Å; L94-W98 PolarHBondContact O-N 2.84Å; L94-L125 HydrophobicContact CD2-CD1 4.33Å; L94-L125 HydrophobicContact CD2-CD2 3.88Å; L94-L125 HydrophobicContact CD2-CG 4.5Å; L94-L129 HydrophobicContact CD2-CD1 4.16Å
95F97.4Very high96.7Very high31 Ų318.2 Ų8.214%0.1364%0.041CC..Hα-helixtrans-63.9-47.1176.1-173-96.3000112.5F44 S91 V92 W98 S99 F334 R456 L457F44-F95 HydrophobicContact CD1-CD2 4.45Å; F44-F95 HydrophobicContact CD2-CB 3.9Å; F44-F95 HydrophobicContact CD2-CD2 4.38Å; F44-F95 AromaticContact CE1-CD2 3.89Å; F44-F95 HydrophobicContact CE1-CD2 3.89Å; F44-F95 HydrophobicContact CE1-CE2 4.49Å; F44-F95 HydrophobicContact CE2-CB 3.72Å; F44-F95 AromaticContact CE2-CD2 3.82Å; F44-F95 HydrophobicContact CE2-CD2 3.82Å; F44-F95 HydrophobicContact CE2-CG 4.23Å; F44-F95 HydrophobicContact CZ-CB 4.34Å; F44-F95 AromaticContact CZ-CD2 3.55Å; F44-F95 HydrophobicContact CZ-CD2 3.55Å; F44-F95 HydrophobicContact CZ-CE2 4.32Å; F44-F95 HydrophobicContact CZ-CG 4.38Å; S91-F95 WeakPolarHBondContact O-CB 3.34Å; S91-F95 PolarHBondContact O-N 3.31Å; V92-F95 PolarHBondContact O-N 2.64Å; F95-W98 HydrophobicContact CD2-CE3 4.4Å; F95-W98 HydrophobicContact CE2-CZ3 4.42Å; F95-W98 PolarHBondContact O-N 3.21Å; F95-S99 PolarHBondContact O-N 3.48Å; F95-F334 AromaticContact CD1-CD1 4Å; F95-F334 HydrophobicContact CD1-CD1 4Å; F95-F334 AromaticContact CD1-CE1 3.45Å; F95-F334 HydrophobicContact CD1-CE1 3.45Å; F95-F334 VanDerWaalsContact CD1-CE1 3.45Å; F95-F334 HydrophobicContact CE1-CD1 4.03Å; F95-F334 AromaticContact CE1-CE1 3.71Å; F95-F334 HydrophobicContact CE1-CE1 3.71Å; F95-F334 HydrophobicContact CG-CE1 4.31Å; F95-R456 HydrophobicContact CZ-CB 4.02Å; F95-L457 HydrophobicContact CD1-CD2 3.96Å; F95-L457 HydrophobicContact CE1-CD2 3.76Å
96V97.6Very high96.8Very high0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-66-45.6178.7172.50000110.3V92 A93 W98 S99 I100 A333 A337 L457V92-V96 HydrophobicContact CG1-CG2 4.49Å; V92-V96 WeakPolarHBondContact O-CG2 3.39Å; V92-V96 PolarHBondContact O-N 2.84Å; A93-V96 PolarHBondContact O-N 2.98Å; V96-W98 VanDerWaalsContact C-N 3.33Å; V96-W98 PolarHBondContact O-N 2.76Å; V96-S99 WeakPolarHBondContact O-CB 3.2Å; V96-S99 PolarHBondContact O-N 3Å; V96-S99 VanDerWaalsContact O-N 3.08Å; V96-S99 PolarHBondContact O-OG 2.9Å; V96-I100 HydrophobicContact CG1-CD1 3.66Å; V96-I100 HydrophobicContact CG1-CG1 4.3Å; V96-I100 WeakPolarHBondContact O-CG1 3.27Å; V96-I100 PolarHBondContact O-N 3.28Å; V96-A333 HydrophobicContact CG2-CB 4.24Å; V96-A337 HydrophobicContact CG1-CB 3.63Å; V96-L457 HydrophobicContact CG2-CD2 4.32Å
97T96.9Very high96.8Very high1 Ų19.8 Ų9.81%0.0065%0.046CC..Hα-helixtrans-64.5-35.2178.353.40000113.1A93 L94 S99 I100 M101 L125 L246A93-T97 WeakPolarHBondContact O-CB 3.49Å; A93-T97 VanDerWaalsContact O-CG2 3.26Å; A93-T97 WeakPolarHBondContact O-CG2 3.37Å; A93-T97 PolarHBondContact O-N 2.98Å; A93-T97 PolarHBondContact O-OG1 2.97Å; L94-T97 WeakPolarHBondContact CA-OG1 3.14Å; L94-T97 PolarHBondContact O-OG1 3.3Å; L94-T97 VanDerWaalsContact O-OG1 3.11Å; T97-S99 VanDerWaalsContact C-N 3.3Å; T97-S99 PolarHBondContact O-N 3.04Å; T97-I100 PolarHBondContact O-N 3.41Å; T97-M101 WeakPolarHBondContact O-CB 3.25Å; T97-M101 WeakPolarHBondContact O-CG 3.21Å; T97-M101 PolarHBondContact O-N 2.72Å; T97-L125 HydrophobicContact CG2-CD1 3.73Å; T97-L125 HydrophobicContact CG2-CD2 4.4Å; T97-L125 HydrophobicContact CG2-CG 4.48Å; T97-L246 HydrophobicContact CG2-CD1 3.55Å; T97-L246 HydrophobicContact CG2-CG 4.07Å
98W97.6Very high96.7Very high46 Ų469.9 Ų9.917%0.1745%0.047CC..Hα-helixtrans-57.4-43.7170.9173.632.7000111.9I40 K41 L94 F95 V96 Q102 R456I40-W98 HydrophobicContact CG2-CB 3.98Å; K41-W98 HydrophobicContact CB-CD2 4.38Å; K41-W98 HydrophobicContact CB-CG 4.45Å; K41-W98 HydrophobicContact CD-CZ2 3.93Å; K41-W98 HydrophobicContact CG-CD2 4.43Å; K41-W98 HydrophobicContact CG-CH2 4.41Å; K41-W98 HydrophobicContact CG-CZ2 4.04Å; L94-W98 WeakPolarHBondContact O-CB 3.13Å; L94-W98 PolarHBondContact O-N 2.84Å; F95-W98 HydrophobicContact CD2-CE3 4.4Å; F95-W98 HydrophobicContact CE2-CZ3 4.42Å; F95-W98 PolarHBondContact O-N 3.21Å; V96-W98 VanDerWaalsContact C-N 3.33Å; V96-W98 PolarHBondContact O-N 2.76Å; W98-Q102 PolarHBondContact O-N 3.48Å; W98-R456 VanDerWaalsContact CZ3-CD 3.4Å
99S97.6Very high96.6Very high0 Ų017.2 Ų17.20%08%0.081CC..Hα-helixtrans-64.6-43.4176.174.10000112.7F95 V96 T97 M101 Q102 F103 P453F95-S99 PolarHBondContact O-N 3.48Å; V96-S99 WeakPolarHBondContact O-CB 3.2Å; V96-S99 PolarHBondContact O-N 3Å; V96-S99 VanDerWaalsContact O-N 3.08Å; V96-S99 PolarHBondContact O-OG 2.9Å; T97-S99 VanDerWaalsContact C-N 3.3Å; T97-S99 PolarHBondContact O-N 3.04Å; S99-M101 PolarHBondContact O-N 3.37Å; S99-Q102 PolarHBondContact O-N 3.47Å; S99-F103 WeakPolarHBondContact O-CB 3.24Å; S99-F103 PolarHBondContact O-N 3.35Å; S99-P453 WeakPolarHBondContact O-CB 3.42Å
100I97.3Very high96.4Very high0 Ų022.4 Ų22.40%012%0.117CC..Hα-helixtrans-68.7-37.4-178.3-65.6173.5000111.5V96 T97 F103 S104 P242 A245 L246 M341V96-I100 HydrophobicContact CG1-CD1 3.66Å; V96-I100 HydrophobicContact CG1-CG1 4.3Å; V96-I100 WeakPolarHBondContact O-CG1 3.27Å; V96-I100 PolarHBondContact O-N 3.28Å; T97-I100 PolarHBondContact O-N 3.41Å; I100-F103 PolarHBondContact O-N 2.96Å; I100-S104 WeakPolarHBondContact O-CB 3.42Å; I100-S104 PolarHBondContact O-N 3.36Å; I100-S104 PolarHBondContact O-OG 2.97Å; I100-P242 HydrophobicContact CG2-CB 3.97Å; I100-P242 WeakPolarHBondContact CG2-O 3.28Å; I100-A245 HydrophobicContact CD1-CB 4.01Å; I100-A245 HydrophobicContact CG1-CB 4.33Å; I100-L246 VanDerWaalsContact CD1-CA 3.49Å; I100-L246 HydrophobicContact CD1-CB 3.62Å; I100-L246 HydrophobicContact CD1-CD1 4.27Å; I100-L246 HydrophobicContact CD1-CG 4.01Å; I100-L246 HydrophobicContact CG2-CB 4.33Å; I100-L246 HydrophobicContact CG2-CD1 4.25Å; I100-M341 HydrophobicContact CG1-SD 4.43Å
101M96.2Very high96.4Very high2 Ų223.3 Ų23.31%0.0112%0.122CC..Hα-helixtrans-66.9-40.1-179.8-68.1-75.2-75.700111.2T37 I40 T97 S99 S104 S105 I118 L121 T122T37-M101 HydrophobicContact CG2-CB 3.5Å; I40-M101 HydrophobicContact CD1-CB 4.5Å; I40-M101 HydrophobicContact CD1-CE 3.84Å; I40-M101 HydrophobicContact CD1-CG 3.66Å; I40-M101 HydrophobicContact CD1-SD 4.34Å; T97-M101 WeakPolarHBondContact O-CB 3.25Å; T97-M101 WeakPolarHBondContact O-CG 3.21Å; T97-M101 PolarHBondContact O-N 2.72Å; S99-M101 PolarHBondContact O-N 3.37Å; M101-S104 WeakPolarHBondContact CA-OG 3.11Å; M101-S104 PolarHBondContact O-N 2.99Å; M101-S104 PolarHBondContact O-OG 3.4Å; M101-S105 PolarHBondContact O-N 3.31Å; M101-I118 HydrophobicContact CE-CB 4.36Å; M101-I118 HydrophobicContact CE-CD1 3.9Å; M101-I118 HydrophobicContact CE-CG2 3.55Å; M101-I118 HydrophobicContact SD-CD1 3.99Å; M101-L121 HydrophobicContact SD-CB 3.74Å; M101-L121 HydrophobicContact SD-CD1 3.64Å; M101-L121 HydrophobicContact SD-CG 4.36Å; M101-T122 HydrophobicContact CE-CG2 3.88Å
102Q96.8Very high96.2Very high25 Ų2528.6 Ų28.612%0.11716%0.157CC..Hα-helixtrans-66.8-41.1172.4-169.517511.800111.9W98 S99 S104 S105 D449 P453 R456W98-Q102 PolarHBondContact O-N 3.48Å; S99-Q102 PolarHBondContact O-N 3.47Å; Q102-S104 VanDerWaalsContact C-N 3.27Å; Q102-S104 PolarHBondContact O-N 2.99Å; Q102-S105 PolarHBondContact O-N 3.22Å; Q102-S105 PolarHBondContact O-OG 2.95Å; Q102-D449 HydrophobicContact CG-CB 4Å; Q102-D449 WeakPolarHBondContact CG-OD1 3.28Å; Q102-D449 PolarHBondContact NE2-OD1 2.87Å; Q102-P453 HydrophobicContact CB-CG 4.46Å; Q102-R456 VanDerWaalsContact OE1-CZ 3.25Å
103F97.4Very high96.2Very high0 Ų031.5 Ų31.50%017%0.172CC..Hα-helixtrans-62.5-36.9174.5178.2-101.4000112S99 I100 W106 Y107 P242 M341 P453S99-F103 WeakPolarHBondContact O-CB 3.24Å; S99-F103 PolarHBondContact O-N 3.35Å; I100-F103 PolarHBondContact O-N 2.96Å; F103-W106 HydrophobicContact CD2-CE3 4.21Å; F103-W106 AromaticContact CE2-CE3 3.79Å; F103-W106 HydrophobicContact CE2-CE3 3.79Å; F103-W106 AromaticContact CE2-CZ3 3.79Å; F103-W106 HydrophobicContact CE2-CZ3 3.79Å; F103-W106 HydrophobicContact CZ-CE3 4.3Å; F103-W106 HydrophobicContact CZ-CZ3 4.13Å; F103-W106 PolarHBondContact O-N 3.28Å; F103-Y107 AromaticContact CE1-CD2 3.88Å; F103-Y107 HydrophobicContact CE1-CD2 3.88Å; F103-Y107 HydrophobicContact CE1-CG 4.08Å; F103-Y107 AromaticContact CZ-CD2 3.7Å; F103-Y107 HydrophobicContact CZ-CD2 3.7Å; F103-Y107 HydrophobicContact CZ-CG 4.28Å; F103-Y107 WeakPolarHBondContact O-CB 3.08Å; F103-Y107 PolarHBondContact O-N 2.72Å; F103-P242 HydrophobicContact CD1-CB 4.24Å; F103-P242 HydrophobicContact CD1-CG 3.92Å; F103-P242 HydrophobicContact CE1-CG 3.94Å; F103-M341 HydrophobicContact CB-CG 4.32Å; F103-M341 HydrophobicContact CB-SD 3.66Å; F103-M341 HydrophobicContact CD1-CG 4Å; F103-M341 HydrophobicContact CD1-SD 4.43Å; F103-M341 HydrophobicContact CD2-CB 4.24Å; F103-M341 HydrophobicContact CD2-CG 4.21Å; F103-M341 HydrophobicContact CD2-SD 4.32Å; F103-M341 HydrophobicContact CE1-CG 4.4Å; F103-M341 HydrophobicContact CE2-CB 4.3Å; F103-M341 HydrophobicContact CG-CB 4.44Å; F103-M341 HydrophobicContact CG-CG 3.9Å; F103-M341 HydrophobicContact CG-SD 3.89Å; F103-P453 HydrophobicContact CB-CG 4.3Å
104S96.6Very high96.1Very high0 Ų032.8 Ų32.80%018%0.179CC..Hα-helixtrans-70.1-31.5-179.171.40000113.6I100 M101 Q102 W106 Y107 M108 I118I100-S104 WeakPolarHBondContact O-CB 3.42Å; I100-S104 PolarHBondContact O-N 3.36Å; I100-S104 PolarHBondContact O-OG 2.97Å; M101-S104 WeakPolarHBondContact CA-OG 3.11Å; M101-S104 PolarHBondContact O-N 2.99Å; M101-S104 PolarHBondContact O-OG 3.4Å; Q102-S104 VanDerWaalsContact C-N 3.27Å; Q102-S104 PolarHBondContact O-N 2.99Å; S104-W106 VanDerWaalsContact C-N 3.25Å; S104-W106 PolarHBondContact O-N 3.18Å; S104-Y107 PolarHBondContact O-N 2.98Å; S104-M108 WeakPolarHBondContact O-CB 3.33Å; S104-M108 PolarHBondContact O-N 3.2Å; S104-I118 WeakPolarHBondContact OG-CD1 3.49Å
105S95.5Very high96Very high30 Ų3035.3 Ų35.321%0.2119%0.192CC..Hα-helixtrans-65.7-32.4174.157.50000111.9M101 Q102M101-S105 PolarHBondContact O-N 3.31Å; Q102-S105 PolarHBondContact O-N 3.22Å; Q102-S105 PolarHBondContact O-OG 2.95Å
106W96.3Very high95.9Very high33 Ų3339.2 Ų39.213%0.12521%0.206CC..Hα-helixtrans-74.8-52171.5175.675.3000112.3F103 S104 M108 H348 D449 L450F103-W106 HydrophobicContact CD2-CE3 4.21Å; F103-W106 AromaticContact CE2-CE3 3.79Å; F103-W106 HydrophobicContact CE2-CE3 3.79Å; F103-W106 AromaticContact CE2-CZ3 3.79Å; F103-W106 HydrophobicContact CE2-CZ3 3.79Å; F103-W106 HydrophobicContact CZ-CE3 4.3Å; F103-W106 HydrophobicContact CZ-CZ3 4.13Å; F103-W106 PolarHBondContact O-N 3.28Å; S104-W106 VanDerWaalsContact C-N 3.25Å; S104-W106 PolarHBondContact O-N 3.18Å; W106-M108 PolarHBondContact O-N 3.32Å; W106-H348 HydrophobicContact CH2-CB 3.76Å; W106-H348 AromaticContact CH2-CG 3.8Å; W106-H348 AromaticContact CH2-ND1 3.6Å; W106-H348 AromaticContact CZ2-ND1 3.73Å; W106-H348 HydrophobicContact CZ3-CB 4.09Å; W106-D449 HydrophobicContact CB-CB 4.06Å; W106-L450 HydrophobicContact CD2-CB 4.11Å; W106-L450 HydrophobicContact CD2-CD1 3.97Å; W106-L450 HydrophobicContact CE3-CB 4.44Å; W106-L450 HydrophobicContact CE3-CD1 3.91Å; W106-L450 HydrophobicContact CG-CB 4.34Å; W106-L450 HydrophobicContact CH2-CD1 3.39Å; W106-L450 HydrophobicContact CZ2-CD1 3.43Å; W106-L450 VanDerWaalsContact CZ2-CD1 3.43Å; W106-L450 HydrophobicContact CZ3-CD1 3.64Å
107Y96Very high95.9Very high10 Ų1039.2 Ų39.24%0.03921%0.206CC..Hα-helixtrans-67.5-37-171.7-171.7-85000113.4F103 S104 T241 P242 G344 H348F103-Y107 AromaticContact CE1-CD2 3.88Å; F103-Y107 HydrophobicContact CE1-CD2 3.88Å; F103-Y107 HydrophobicContact CE1-CG 4.08Å; F103-Y107 AromaticContact CZ-CD2 3.7Å; F103-Y107 HydrophobicContact CZ-CD2 3.7Å; F103-Y107 HydrophobicContact CZ-CG 4.28Å; F103-Y107 WeakPolarHBondContact O-CB 3.08Å; F103-Y107 PolarHBondContact O-N 2.72Å; S104-Y107 PolarHBondContact O-N 2.98Å; Y107-T241 WeakPolarHBondContact CD2-OG1 3.5Å; Y107-T241 HydrophobicContact CE2-CG2 4.26Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.46Å; Y107-P242 HydrophobicContact CD1-CG 3.98Å; Y107-P242 HydrophobicContact CG-CG 4.14Å; Y107-G344 WeakPolarHBondContact CE2-O 3.22Å; Y107-H348 HydrophobicContact CD2-CB 4.09Å; Y107-H348 HydrophobicContact CE2-CB 3.87Å
108M95.5Very high95.9Very high4 Ų439.1 Ų39.12%0.0221%0.205CC..THydrogen-bonded Turntrans-100.219.7-176-63.6-65.2-68.400112.9S104 W106 S110 D111 I114 F117 P240S104-M108 WeakPolarHBondContact O-CB 3.33Å; S104-M108 PolarHBondContact O-N 3.2Å; W106-M108 PolarHBondContact O-N 3.32Å; M108-S110 PolarHBondContact O-N 3.35Å; M108-D111 HydrophobicContact CE-CB 3.87Å; M108-D111 WeakPolarHBondContact CE-OD2 3.33Å; M108-D111 PolarHBondContact O-N 3.41Å; M108-I114 HydrophobicContact CB-CD1 4.17Å; M108-I114 HydrophobicContact CB-CG1 4.24Å; M108-F117 HydrophobicContact CG-CD1 4.35Å; M108-F117 HydrophobicContact CG-CE1 4.16Å; M108-F117 HydrophobicContact CG-CZ 4.48Å; M108-P240 HydrophobicContact SD-CB 4.17Å
109H93.5Very high95.8Very high157 Ų15739.9 Ų39.973%0.72721%0.21SC*.THydrogen-bonded Turntrans-59.3-33.2-175.1-174.44.7000112.8D111H109-D111 VanDerWaalsContact C-N 3.28Å; H109-D111 PolarHBondContact O-N 3.41Å
110S93Very high95.8Very high112 Ų11242.1 Ų42.178%0.78322%0.219SC*.THydrogen-bonded Turntrans-72.4-15.8179.256.60000114.3M108M108-S110 PolarHBondContact O-N 3.35Å
111D95.2Very high95.8Very high25 Ų2542.3 Ų42.313%0.13422%0.219CC..  trans-86.8122.1-175.7-168-23000111.3M108 H109 N113 I114 W157M108-D111 HydrophobicContact CE-CB 3.87Å; M108-D111 WeakPolarHBondContact CE-OD2 3.33Å; M108-D111 PolarHBondContact O-N 3.41Å; H109-D111 VanDerWaalsContact C-N 3.28Å; H109-D111 PolarHBondContact O-N 3.41Å; D111-N113 PolarHBondContact O-N 3.15Å; D111-N113 PolarHBondContact OD1-N 2.93Å; D111-I114 PolarHBondContact O-N 3.45Å; D111-W157 WeakPolarHBondContact OD2-CZ2 3.47Å; D111-W157 PolarHBondContact OD2-NE1 3.36Å
112P93.4Very high95.8Very high119 Ų11942.2 Ų42.277%0.77322%0.219SC*.THydrogen-bonded Turntrans-62.6-24.317826.4-36.3000113.4
113N95.4Very high95.8Very high67 Ų6743.2 Ų43.236%0.35823%0.225SC..THydrogen-bonded Turntrans-95.823.1-176.1-69.2-55.2000113.8D111 N115 R116 F117 W157D111-N113 PolarHBondContact O-N 3.15Å; D111-N113 PolarHBondContact OD1-N 2.93Å; N113-N115 PolarHBondContact O-N 3.36Å; N113-N115 VanDerWaalsContact O-N 3.14Å; N113-R116 WeakPolarHBondContact O-CB 3.48Å; N113-R116 PolarHBondContact O-N 3.09Å; N113-F117 PolarHBondContact O-N 3.39Å; N113-W157 HydrophobicContact CB-CH2 3.98Å; N113-W157 HydrophobicContact CB-CZ2 3.87Å; N113-W157 WeakPolarHBondContact O-CH2 3.28Å
114I95.8Very high95.8Very high27 Ų2743.2 Ų43.214%0.13823%0.225CC..Hα-helixtrans-52.6-37.9-179-166172000113.4P33 M108 D111 R116 F117 I118P33-I114 HydrophobicContact CG-CD1 4.27Å; P33-I114 HydrophobicContact CG-CG1 4.37Å; P33-I114 HydrophobicContact CG-CG2 4.47Å; M108-I114 HydrophobicContact CB-CD1 4.17Å; M108-I114 HydrophobicContact CB-CG1 4.24Å; D111-I114 PolarHBondContact O-N 3.45Å; I114-R116 VanDerWaalsContact C-N 3.28Å; I114-R116 PolarHBondContact O-N 3.19Å; I114-F117 WeakPolarHBondContact O-CB 3.48Å; I114-F117 PolarHBondContact O-N 3.14Å; I114-F117 VanDerWaalsContact O-N 3.13Å; I114-I118 HydrophobicContact CG1-CG1 4.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.38Å; I114-I118 PolarHBondContact O-N 3.33Å
115N95.6Very high95.8Very high52 Ų5243.3 Ų43.328%0.27823%0.225SC..Hα-helixtrans-62.4-35.7178.8-67.1-6.4000112.4F32 P33 N113 K119F32-N115 HydrophobicContact CB-CB 4.5Å; F32-N115 HydrophobicContact CD1-CB 3.97Å; F32-N115 WeakPolarHBondContact CE1-O 3.37Å; F32-N115 HydrophobicContact CG-CB 4.47Å; P33-N115 WeakPolarHBondContact CD-OD1 3.29Å; N113-N115 PolarHBondContact O-N 3.36Å; N113-N115 VanDerWaalsContact O-N 3.14Å; N115-K119 WeakPolarHBondContact O-CB 3.46Å; N115-K119 PolarHBondContact O-N 3.5Å; N115-K119 VanDerWaalsContact O-N 3.08Å
116R95.8Very high95.9Very high113 Ų11342.5 Ų42.543%0.42622%0.219SC..Hα-helixtrans-71.3-39.2176.2-178.6-169.2-56.9165.43.4110.8N113 I114 K119 Y120 W157N113-R116 WeakPolarHBondContact O-CB 3.48Å; N113-R116 PolarHBondContact O-N 3.09Å; I114-R116 VanDerWaalsContact C-N 3.28Å; I114-R116 PolarHBondContact O-N 3.19Å; R116-K119 WeakPolarHBondContact O-CB 3.29Å; R116-K119 PolarHBondContact O-N 3.41Å; R116-Y120 HydrophobicContact CG-CD2 4.49Å; R116-Y120 HydrophobicContact CG-CE1 4.09Å; R116-Y120 HydrophobicContact CG-CE2 3.95Å; R116-Y120 PolarHBondContact O-N 2.97Å; R116-W157 HydrophobicContact CB-CH2 4.04Å; R116-W157 HydrophobicContact CB-CZ3 4.48Å; R116-W157 HydrophobicContact CG-CH2 4.18Å; R116-W157 HydrophobicContact CG-CZ3 4.15Å
117F96.6Very high95.9Very high0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-60.3-50.6176.1-179.1-100.7000111.6M108 N113 I114 K119 Y120 L121 L154 W157 P240 P242 V243M108-F117 HydrophobicContact CG-CD1 4.35Å; M108-F117 HydrophobicContact CG-CE1 4.16Å; M108-F117 HydrophobicContact CG-CZ 4.48Å; N113-F117 PolarHBondContact O-N 3.39Å; I114-F117 WeakPolarHBondContact O-CB 3.48Å; I114-F117 PolarHBondContact O-N 3.14Å; I114-F117 VanDerWaalsContact O-N 3.13Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 2.76Å; F117-Y120 PolarHBondContact O-N 2.98Å; F117-Y120 VanDerWaalsContact O-N 3.09Å; F117-L121 HydrophobicContact CD1-CD1 3.98Å; F117-L121 HydrophobicContact CD1-CG 4.39Å; F117-L121 HydrophobicContact CE1-CD1 3.45Å; F117-L121 VanDerWaalsContact CE1-CD1 3.45Å; F117-L121 HydrophobicContact CE1-CG 4.08Å; F117-L121 HydrophobicContact CZ-CD1 4.03Å; F117-L121 HydrophobicContact CZ-CD2 4.4Å; F117-L121 HydrophobicContact CZ-CG 4.35Å; F117-L121 PolarHBondContact O-N 3.47Å; F117-L154 HydrophobicContact CD2-CD2 4.24Å; F117-L154 HydrophobicContact CE2-CD2 4.14Å; F117-W157 HydrophobicContact CB-CH2 3.62Å; F117-W157 HydrophobicContact CB-CZ2 3.83Å; F117-W157 HydrophobicContact CB-CZ3 4.03Å; F117-W157 AromaticContact CD2-CD2 3.99Å; F117-W157 HydrophobicContact CD2-CD2 3.99Å; F117-W157 HydrophobicContact CD2-CE3 4.07Å; F117-W157 HydrophobicContact CD2-CG 4.49Å; F117-W157 HydrophobicContact CD2-CH2 4.48Å; F117-W157 HydrophobicContact CD2-CZ2 4.41Å; F117-W157 HydrophobicContact CD2-CZ3 4.31Å; F117-P240 HydrophobicContact CE2-CG 3.72Å; F117-P240 HydrophobicContact CZ-CG 4.15Å; F117-P242 HydrophobicContact CE1-CB 4.39Å; F117-P242 HydrophobicContact CZ-CB 4.24Å; F117-P242 HydrophobicContact CZ-CG 4.5Å; F117-V243 HydrophobicContact CE2-CG2 3.43Å; F117-V243 VanDerWaalsContact CE2-CG2 3.43Å; F117-V243 HydrophobicContact CZ-CG2 3.58Å
118I96.6Very high95.9Very high0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-57.5-42.1175.5-68.8-58.5000111.2F32 P33 T36 M101 S104 I114 Y120 L121 T122F32-I118 HydrophobicContact CD1-CB 4.19Å; F32-I118 HydrophobicContact CD1-CG2 3.74Å; F32-I118 HydrophobicContact CE1-CB 4.07Å; F32-I118 HydrophobicContact CE1-CG2 3.54Å; P33-I118 HydrophobicContact CB-CG1 4.25Å; P33-I118 HydrophobicContact CG-CG1 4.15Å; T36-I118 HydrophobicContact CG2-CG2 3.55Å; T36-I118 WeakPolarHBondContact OG1-CG2 3.41Å; M101-I118 HydrophobicContact CE-CB 4.36Å; M101-I118 HydrophobicContact CE-CD1 3.9Å; M101-I118 HydrophobicContact CE-CG2 3.55Å; M101-I118 HydrophobicContact SD-CD1 3.99Å; S104-I118 WeakPolarHBondContact OG-CD1 3.49Å; I114-I118 HydrophobicContact CG1-CG1 4.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.38Å; I114-I118 PolarHBondContact O-N 3.33Å; I118-Y120 PolarHBondContact O-N 3.12Å; I118-L121 PolarHBondContact O-N 2.85Å; I118-T122 WeakPolarHBondContact O-CG2 3.1Å; I118-T122 PolarHBondContact O-N 3.04Å; I118-T122 PolarHBondContact O-OG1 3.31Å
119K96.4Very high96Very high61 Ų6141.2 Ų41.227%0.26522%0.216SC..Hα-helixtrans-59.2-45.6174.4-175.8-178.170.8174.70111.9S22 F32 N115 R116 F117 L121 T122 L123S22-K119 WeakPolarHBondContact OG-CD 3.31Å; F32-K119 HydrophobicContact CE1-CB 4.4Å; N115-K119 WeakPolarHBondContact O-CB 3.46Å; N115-K119 PolarHBondContact O-N 3.5Å; N115-K119 VanDerWaalsContact O-N 3.08Å; R116-K119 WeakPolarHBondContact O-CB 3.29Å; R116-K119 PolarHBondContact O-N 3.41Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 2.76Å; K119-L121 PolarHBondContact O-N 2.9Å; K119-T122 WeakPolarHBondContact CA-OG1 3.36Å; K119-T122 PolarHBondContact O-N 3.13Å; K119-T122 PolarHBondContact O-OG1 2.84Å; K119-L123 HydrophobicContact CG-CD1 4.14Å; K119-L123 PolarHBondContact O-N 3.13Å
120Y97.3Very high96.1Very high48 Ų4835.6 Ų35.619%0.18819%0.191CC..Hα-helixtrans-64.2-38.6178-66.9-12.7000112.3R116 F117 I118 L123 F124 L153 L154 W157R116-Y120 HydrophobicContact CG-CD2 4.49Å; R116-Y120 HydrophobicContact CG-CE1 4.09Å; R116-Y120 HydrophobicContact CG-CE2 3.95Å; R116-Y120 PolarHBondContact O-N 2.97Å; F117-Y120 PolarHBondContact O-N 2.98Å; F117-Y120 VanDerWaalsContact O-N 3.09Å; I118-Y120 PolarHBondContact O-N 3.12Å; Y120-L123 HydrophobicContact CD1-CD1 4.34Å; Y120-L123 PolarHBondContact O-N 3.49Å; Y120-F124 VanDerWaalsContact O-CB 3.29Å; Y120-F124 WeakPolarHBondContact O-CB 3.31Å; Y120-F124 PolarHBondContact O-N 2.99Å; Y120-L153 HydrophobicContact CD2-CB 4.35Å; Y120-L153 HydrophobicContact CE2-CB 4.29Å; Y120-L154 HydrophobicContact CD2-CD2 4.34Å; Y120-W157 HydrophobicContact CD2-CE3 4.25Å; Y120-W157 AromaticContact CD2-CZ3 3.89Å; Y120-W157 HydrophobicContact CD2-CZ3 3.89Å; Y120-W157 HydrophobicContact CE2-CE3 4.36Å; Y120-W157 AromaticContact CE2-CZ3 3.9Å; Y120-W157 HydrophobicContact CE2-CZ3 3.9Å
121L96.3Very high96.3Very high3 Ų330.3 Ų30.32%0.01615%0.154CC..Hα-helixtrans-62.8-40.7172.9-66-176.3000112.2M101 F117 I118 K119 F124 L125 L154 V243 L246M101-L121 HydrophobicContact SD-CB 3.74Å; M101-L121 HydrophobicContact SD-CD1 3.64Å; M101-L121 HydrophobicContact SD-CG 4.36Å; F117-L121 HydrophobicContact CD1-CD1 3.98Å; F117-L121 HydrophobicContact CD1-CG 4.39Å; F117-L121 HydrophobicContact CE1-CD1 3.45Å; F117-L121 VanDerWaalsContact CE1-CD1 3.45Å; F117-L121 HydrophobicContact CE1-CG 4.08Å; F117-L121 HydrophobicContact CZ-CD1 4.03Å; F117-L121 HydrophobicContact CZ-CD2 4.4Å; F117-L121 HydrophobicContact CZ-CG 4.35Å; F117-L121 PolarHBondContact O-N 3.47Å; I118-L121 PolarHBondContact O-N 2.85Å; K119-L121 PolarHBondContact O-N 2.9Å; L121-F124 PolarHBondContact O-N 3.07Å; L121-L125 PolarHBondContact O-N 3.18Å; L121-L154 HydrophobicContact CD2-CD1 3.94Å; L121-L154 HydrophobicContact CD2-CD2 4.07Å; L121-V243 HydrophobicContact CD2-CG2 4.22Å; L121-L246 HydrophobicContact CD2-CD1 4.29Å
122T96.5Very high96.4Very high1 Ų129.1 Ų29.11%0.00615%0.147CC..Hα-helixtrans-67.4-40.7175.956.70000112.9T36 I40 M101 I118 K119 F124 L125 I126T36-T122 HydrophobicContact CG2-CG2 4.36Å; I40-T122 HydrophobicContact CD1-CG2 4.4Å; M101-T122 HydrophobicContact CE-CG2 3.88Å; I118-T122 WeakPolarHBondContact O-CG2 3.1Å; I118-T122 PolarHBondContact O-N 3.04Å; I118-T122 PolarHBondContact O-OG1 3.31Å; K119-T122 WeakPolarHBondContact CA-OG1 3.36Å; K119-T122 PolarHBondContact O-N 3.13Å; K119-T122 PolarHBondContact O-OG1 2.84Å; T122-F124 VanDerWaalsContact C-N 3.34Å; T122-F124 PolarHBondContact O-N 3.3Å; T122-L125 WeakPolarHBondContact O-CB 3.38Å; T122-L125 PolarHBondContact O-N 3.14Å; T122-I126 WeakPolarHBondContact O-CG1 3.5Å; T122-I126 PolarHBondContact O-N 3.31Å
123L97.2Very high96.5Very high46 Ų4623.7 Ų23.724%0.24111%0.112CC..Hα-helixtrans-62.4-43.3175.3-79.3165.5000111.3I19 K119 Y120 L125 I126 T127 M150I19-L123 HydrophobicContact CD1-CD2 3.63Å; I19-L123 HydrophobicContact CD1-CG 3.95Å; I19-L123 HydrophobicContact CG1-CD2 4.29Å; I19-L123 HydrophobicContact CG1-CG 4.3Å; I19-L123 HydrophobicContact CG2-CD2 4.43Å; K119-L123 HydrophobicContact CG-CD1 4.14Å; K119-L123 PolarHBondContact O-N 3.13Å; Y120-L123 HydrophobicContact CD1-CD1 4.34Å; Y120-L123 PolarHBondContact O-N 3.49Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-L125 PolarHBondContact O-N 3.12Å; L123-I126 PolarHBondContact O-N 2.88Å; L123-T127 WeakPolarHBondContact O-CG2 3.44Å; L123-T127 PolarHBondContact O-N 2.95Å; L123-T127 PolarHBondContact O-OG1 3.18Å; L123-M150 HydrophobicContact CB-CE 4.17Å; L123-M150 HydrophobicContact CB-CG 4.45Å; L123-M150 HydrophobicContact CB-SD 3.79Å; L123-M150 HydrophobicContact CD1-CE 4.19Å; L123-M150 HydrophobicContact CD1-SD 4.3Å
124F97Very high96.6Very high0 Ų020.5 Ų20.50%010%0.095CC..Hα-helixtrans-59.6-44.2174.6178.2-81.7000111.9Y120 L121 T122 I126 T127 M128 V147 M150 L154 L246 L247 T251 M252Y120-F124 VanDerWaalsContact O-CB 3.29Å; Y120-F124 WeakPolarHBondContact O-CB 3.31Å; Y120-F124 PolarHBondContact O-N 2.99Å; L121-F124 PolarHBondContact O-N 3.07Å; T122-F124 VanDerWaalsContact C-N 3.34Å; T122-F124 PolarHBondContact O-N 3.3Å; F124-I126 PolarHBondContact O-N 3.13Å; F124-T127 PolarHBondContact O-N 3.33Å; F124-T127 PolarHBondContact O-OG1 3.5Å; F124-M128 HydrophobicContact CE1-CB 4.49Å; F124-M128 WeakPolarHBondContact O-CB 3.36Å; F124-M128 PolarHBondContact O-N 3.4Å; F124-M128 VanDerWaalsContact O-N 3.07Å; F124-V147 HydrophobicContact CE2-CB 4.2Å; F124-V147 HydrophobicContact CE2-CG1 3.64Å; F124-V147 HydrophobicContact CE2-CG2 4.3Å; F124-V147 HydrophobicContact CZ-CG1 3.97Å; F124-V147 HydrophobicContact CZ-CG2 4.45Å; F124-M150 HydrophobicContact CB-CB 3.95Å; F124-M150 HydrophobicContact CB-CG 4.35Å; F124-M150 HydrophobicContact CD2-CB 3.74Å; F124-M150 HydrophobicContact CG-CB 4.34Å; F124-L154 HydrophobicContact CB-CD1 4.37Å; F124-L246 HydrophobicContact CD1-CD2 3.17Å; F124-L246 HydrophobicContact CE1-CD2 3.1Å; F124-L246 HydrophobicContact CG-CD2 4.24Å; F124-L246 HydrophobicContact CZ-CD2 4.1Å; F124-L247 HydrophobicContact CD1-CD2 4.37Å; F124-L247 HydrophobicContact CD2-CD2 3.58Å; F124-L247 HydrophobicContact CE1-CD2 3.96Å; F124-L247 HydrophobicContact CE2-CD2 3.04Å; F124-L247 HydrophobicContact CG-CD2 4.22Å; F124-L247 HydrophobicContact CZ-CD2 3.28Å; F124-T251 VanDerWaalsContact CE1-CB 3.42Å; F124-T251 HydrophobicContact CE1-CG2 3.87Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.39Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.24Å; F124-M252 HydrophobicContact CE2-CB 4.31Å; F124-M252 HydrophobicContact CZ-CB 4.05Å
125L96.4Very high96.6Very high1 Ų119.3 Ų19.31%0.0059%0.089CC..Hα-helixtrans-60.4-46.8176.4175.564.5000110.7L15 I40 L94 T97 L121 T122 L123 T127 M128 L129L15-L125 HydrophobicContact CD1-CD2 4.14Å; L15-L125 HydrophobicContact CD1-CG 4.33Å; L15-L125 HydrophobicContact CD2-CD2 3.61Å; I40-L125 HydrophobicContact CD1-CD2 4.25Å; I40-L125 HydrophobicContact CG1-CD2 4.28Å; L94-L125 HydrophobicContact CD2-CD1 4.33Å; L94-L125 HydrophobicContact CD2-CD2 3.88Å; L94-L125 HydrophobicContact CD2-CG 4.5Å; T97-L125 HydrophobicContact CG2-CD1 3.73Å; T97-L125 HydrophobicContact CG2-CD2 4.4Å; T97-L125 HydrophobicContact CG2-CG 4.48Å; L121-L125 PolarHBondContact O-N 3.18Å; T122-L125 WeakPolarHBondContact O-CB 3.38Å; T122-L125 PolarHBondContact O-N 3.14Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-L125 PolarHBondContact O-N 3.12Å; L125-T127 PolarHBondContact O-N 3.01Å; L125-M128 PolarHBondContact O-N 3.45Å; L125-L129 HydrophobicContact CD1-CD1 3.96Å; L125-L129 HydrophobicContact CD1-CD2 4.2Å; L125-L129 HydrophobicContact CD1-CG 4.04Å; L125-L129 HydrophobicContact CG-CD1 3.91Å; L125-L129 HydrophobicContact CG-CG 4.35Å; L125-L129 VanDerWaalsContact O-CG 3.26Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.44Å
126I97.3Very high96.7Very high13 Ų1317.1 Ų17.17%0.0678%0.077CC..Hα-helixtrans-60.7-46.4179.5-68.3174.2000111.7L15 L16 I19 T122 L123 F124 M128 L129 I130L15-I126 HydrophobicContact CB-CD1 3.92Å; L15-I126 HydrophobicContact CB-CG1 3.76Å; L15-I126 HydrophobicContact CD1-CG1 4.29Å; L15-I126 WeakPolarHBondContact O-CD1 3.39Å; L16-I126 HydrophobicContact CD2-CD1 3.85Å; L16-I126 HydrophobicContact CG-CD1 4.21Å; I19-I126 HydrophobicContact CD1-CD1 3.2Å; T122-I126 WeakPolarHBondContact O-CG1 3.5Å; T122-I126 PolarHBondContact O-N 3.31Å; L123-I126 PolarHBondContact O-N 2.88Å; F124-I126 PolarHBondContact O-N 3.13Å; I126-M128 VanDerWaalsContact C-N 3.26Å; I126-M128 PolarHBondContact O-N 2.76Å; I126-L129 PolarHBondContact O-N 3.21Å; I126-I130 HydrophobicContact CG2-CD1 3.75Å; I126-I130 HydrophobicContact CG2-CG1 4.3Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.46Å; I126-I130 PolarHBondContact O-N 3.37Å
127T97Very high96.7Very high21 Ų2111.8 Ų11.813%0.1296%0.057CC..Hα-helixtrans-63.1-35.6179.455.50000111.7L123 F124 L125 I130 L131 G143L123-T127 WeakPolarHBondContact O-CG2 3.44Å; L123-T127 PolarHBondContact O-N 2.95Å; L123-T127 PolarHBondContact O-OG1 3.18Å; F124-T127 PolarHBondContact O-N 3.33Å; F124-T127 PolarHBondContact O-OG1 3.5Å; L125-T127 PolarHBondContact O-N 3.01Å; T127-I130 PolarHBondContact O-N 3.12Å; T127-L131 WeakPolarHBondContact O-CB 3.48Å; T127-L131 PolarHBondContact O-N 3.02Å; T127-G143 WeakPolarHBondContact O-CA 3.37Å
128M96.3Very high96.7Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-68.6-39.7174-171.161.4-166.900113F89 F124 L125 I126 I130 L131 T132 V147 T251 A255F89-M128 HydrophobicContact CE1-CE 3.64Å; F89-M128 HydrophobicContact CE1-CG 3.98Å; F89-M128 HydrophobicContact CE2-CE 4.3Å; F89-M128 HydrophobicContact CZ-CE 3.38Å; F89-M128 HydrophobicContact CZ-CG 4.3Å; F124-M128 HydrophobicContact CE1-CB 4.49Å; F124-M128 WeakPolarHBondContact O-CB 3.36Å; F124-M128 PolarHBondContact O-N 3.4Å; F124-M128 VanDerWaalsContact O-N 3.07Å; L125-M128 PolarHBondContact O-N 3.45Å; I126-M128 VanDerWaalsContact C-N 3.26Å; I126-M128 PolarHBondContact O-N 2.76Å; M128-I130 VanDerWaalsContact C-N 3.35Å; M128-L131 HydrophobicContact CE-CD2 4.49Å; M128-L131 WeakPolarHBondContact O-CB 3.41Å; M128-L131 PolarHBondContact O-N 3.18Å; M128-L131 HydrophobicContact SD-CD1 4.42Å; M128-T132 HydrophobicContact CE-CG2 3.61Å; M128-T132 VanDerWaalsContact O-CG2 3.31Å; M128-T132 WeakPolarHBondContact O-CG2 3.39Å; M128-T132 PolarHBondContact O-N 3.44Å; M128-T132 PolarHBondContact O-OG1 2.89Å; M128-T132 HydrophobicContact SD-CG2 4.49Å; M128-V147 HydrophobicContact CB-CG2 4.12Å; M128-V147 HydrophobicContact SD-CG2 4.11Å; M128-T251 VanDerWaalsContact CE-O 3.29Å; M128-T251 WeakPolarHBondContact CE-O 3.3Å; M128-T251 HydrophobicContact CG-CG2 3.97Å; M128-A255 HydrophobicContact CE-CB 4.15Å; M128-A255 HydrophobicContact SD-CB 4.38Å
129L96.6Very high96.7Very high0 Ų015.4 Ų15.40%07%0.073CC..Hα-helixtrans-69.4-34.5176.3-61.7173.8000111.3F12 L15 M90 A93 L94 L125 I126 T132 S133F12-L129 HydrophobicContact CE1-CB 3.76Å; F12-L129 HydrophobicContact CZ-CB 4.11Å; L15-L129 HydrophobicContact CD1-CD1 3.21Å; M90-L129 HydrophobicContact CB-CD2 4.42Å; M90-L129 HydrophobicContact CE-CB 3.93Å; M90-L129 HydrophobicContact CE-CD1 3.76Å; M90-L129 HydrophobicContact CE-CD2 3.64Å; M90-L129 HydrophobicContact CE-CG 3.91Å; M90-L129 HydrophobicContact CG-CD2 4.23Å; M90-L129 HydrophobicContact SD-CB 3.53Å; M90-L129 VanDerWaalsContact SD-CB 3.53Å; M90-L129 HydrophobicContact SD-CD1 4.24Å; M90-L129 HydrophobicContact SD-CD2 3.12Å; M90-L129 WeakPolarHBondContact SD-CD2 3.33Å; M90-L129 HydrophobicContact SD-CG 3.7Å; A93-L129 HydrophobicContact CB-CD2 4.25Å; L94-L129 HydrophobicContact CD2-CD1 4.16Å; L125-L129 HydrophobicContact CD1-CD1 3.96Å; L125-L129 HydrophobicContact CD1-CD2 4.2Å; L125-L129 HydrophobicContact CD1-CG 4.04Å; L125-L129 HydrophobicContact CG-CD1 3.91Å; L125-L129 HydrophobicContact CG-CG 4.35Å; L125-L129 VanDerWaalsContact O-CG 3.26Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.44Å; I126-L129 PolarHBondContact O-N 3.21Å; L129-T132 WeakPolarHBondContact CA-OG1 3.33Å; L129-T132 PolarHBondContact O-N 3.46Å; L129-T132 PolarHBondContact O-OG1 3.15Å; L129-S133 WeakPolarHBondContact O-CB 3.36Å; L129-S133 PolarHBondContact O-N 3.12Å; L129-S133 VanDerWaalsContact O-N 3.07Å; L129-S133 PolarHBondContact O-OG 3.45Å
130I97.1Very high96.8Very high39 Ų3912.6 Ų12.620%0.26%0.061CC..Hα-helixtrans-61.9-48.2170.3-69.1168.1000110.1F12 I126 T127 M128 T132 S133 A134 Q139F12-I130 HydrophobicContact CE1-CG1 4.05Å; I126-I130 HydrophobicContact CG2-CD1 3.75Å; I126-I130 HydrophobicContact CG2-CG1 4.3Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.46Å; I126-I130 PolarHBondContact O-N 3.37Å; T127-I130 PolarHBondContact O-N 3.12Å; M128-I130 VanDerWaalsContact C-N 3.35Å; I130-T132 VanDerWaalsContact C-N 3.31Å; I130-T132 PolarHBondContact O-N 3.42Å; I130-S133 PolarHBondContact O-N 2.91Å; I130-A134 VanDerWaalsContact O-CB 3.28Å; I130-A134 WeakPolarHBondContact O-CB 3.47Å; I130-A134 PolarHBondContact O-N 3.32Å; I130-Q139 HydrophobicContact CG2-CG 3.81Å
131L96.9Very high96.8Very high1 Ų112.1 Ų12.11%0.0056%0.06CC..Hα-helixtrans-56.5-46.2178.2-172.5159.7000111.6T127 M128 L140 W144 A255 F258T127-L131 WeakPolarHBondContact O-CB 3.48Å; T127-L131 PolarHBondContact O-N 3.02Å; M128-L131 HydrophobicContact CE-CD2 4.49Å; M128-L131 WeakPolarHBondContact O-CB 3.41Å; M128-L131 PolarHBondContact O-N 3.18Å; M128-L131 HydrophobicContact SD-CD1 4.42Å; L131-L140 HydrophobicContact CG-CD2 4.28Å; L131-L140 HydrophobicContact CG-CG 4.36Å; L131-W144 HydrophobicContact CD1-CB 4.23Å; L131-W144 HydrophobicContact CD1-CE3 4.1Å; L131-A255 HydrophobicContact CD1-CB 3.88Å; L131-A255 HydrophobicContact CD2-CB 4.29Å; L131-F258 HydrophobicContact CD2-CD1 3.99Å; L131-F258 HydrophobicContact CD2-CE1 4.35Å
132T96.6Very high96.9Very high0 Ų016 Ų160%08%0.08CC..Hα-helixtrans-77.2-27.4-172.752.40000114.3F89 M128 L129 I130 F258 R262F89-T132 HydrophobicContact CD1-CG2 3.3Å; F89-T132 HydrophobicContact CE1-CG2 3.39Å; F89-T132 HydrophobicContact CG-CG2 4.07Å; F89-T132 HydrophobicContact CZ-CG2 4.19Å; M128-T132 HydrophobicContact CE-CG2 3.61Å; M128-T132 VanDerWaalsContact O-CG2 3.31Å; M128-T132 WeakPolarHBondContact O-CG2 3.39Å; M128-T132 PolarHBondContact O-N 3.44Å; M128-T132 PolarHBondContact O-OG1 2.89Å; M128-T132 HydrophobicContact SD-CG2 4.49Å; L129-T132 WeakPolarHBondContact CA-OG1 3.33Å; L129-T132 PolarHBondContact O-N 3.46Å; L129-T132 PolarHBondContact O-OG1 3.15Å; I130-T132 VanDerWaalsContact C-N 3.31Å; I130-T132 PolarHBondContact O-N 3.42Å; T132-F258 HydrophobicContact CG2-CD1 4.35Å; T132-F258 HydrophobicContact CG2-CE1 4.05Å; T132-F258 HydrophobicContact CG2-CE2 4.28Å; T132-F258 HydrophobicContact CG2-CZ 3.97Å; T132-F258 WeakPolarHBondContact O-CZ 3.32Å; T132-R262 PolarHBondContact O-NH2 3.01Å
133S96.8Very high96.9Very high4 Ų416 Ų163%0.0288%0.08CC..Hα-helixtrans-96-6.9177.860.40000113.4F80 K81 L129 I130 N135F80-S133 CarbonylContact C-O 3.6Å; F80-S133 WeakPolarHBondContact CA-O 3.21Å; F80-S133 VanDerWaalsContact CD1-OG 3.27Å; F80-S133 WeakPolarHBondContact CD1-OG 3.44Å; K81-S133 PolarHBondContact N-O 3.45Å; L129-S133 WeakPolarHBondContact O-CB 3.36Å; L129-S133 PolarHBondContact O-N 3.12Å; L129-S133 VanDerWaalsContact O-N 3.07Å; L129-S133 PolarHBondContact O-OG 3.45Å; I130-S133 PolarHBondContact O-N 2.91Å; S133-N135 PolarHBondContact O-N 3.35Å
134A97.1Very high96.8Very high1 Ų113.8 Ų13.81%0.0087%0.069CC..BIsolated β-bridgetrans-62134-178.200000112.4I130 Q139 L140I130-A134 VanDerWaalsContact O-CB 3.28Å; I130-A134 WeakPolarHBondContact O-CB 3.47Å; I130-A134 PolarHBondContact O-N 3.32Å; A134-Q139 HydrophobicContact CB-CB 4.03Å; A134-Q139 HydrophobicContact CB-CG 3.87Å; A134-L140 HydrophobicContact CB-CB 3.91Å; A134-L140 HydrophobicContact CB-CG 4.43Å
135N96.3Very high96.8Very high1 Ų115.2 Ų15.21%0.0058%0.075CC..  trans-96.2-32.6167-175.660.6000112.9M62 S79 K81 S133 L198 Q199M62-N135 VanDerWaalsContact CE-ND2 3.34Å; M62-N135 WeakPolarHBondContact CE-ND2 3.05Å; S79-N135 WeakPolarHBondContact O-CB 3.01Å; S79-N135 PolarHBondContact O-N 3.22Å; S79-N135 WeakPolarHBondContact OG-CB 3.4Å; K81-N135 HydrophobicContact CB-CB 3.8Å; S133-N135 PolarHBondContact O-N 3.35Å; N135-L198 VanDerWaalsContact O-CG 3.28Å; N135-L198 WeakPolarHBondContact O-CG 3.38Å; N135-L198 PolarHBondContact O-N 3.1Å; N135-Q199 PolarHBondContact ND2-NE2 3.22Å; N135-Q199 PolarHBondContact ND2-OE1 2.88Å; N135-Q199 VanDerWaalsContact OD1-CD 3.31Å; N135-Q199 PolarHBondContact OD1-NE2 3.4Å; N135-Q199 PolarHBondContact OD1-OE1 3.43Å; N135-Q199 VanDerWaalsContact OD1-OE1 3.06Å
136N95.9Very high96.9Very high6 Ų615.8 Ų15.83%0.0328%0.081CC..BIsolated β-bridgetrans-91.9136-179.7-72.9-5.3000110.6K77 S79 F138 Q139 L140 E197K77-N136 PolarHBondContact O-ND2 2.98Å; S79-N136 PolarHBondContact OG-ND2 2.78Å; S79-N136 VanDerWaalsContact OG-ND2 3.09Å; S79-N136 PolarHBondContact OG-OD1 3.28Å; N136-F138 PolarHBondContact O-N 2.89Å; N136-Q139 HydrophobicContact CB-CB 4.4Å; N136-Q139 PolarHBondContact O-N 2.98Å; N136-L140 PolarHBondContact O-N 3.37Å; N136-E197 VanDerWaalsContact OD1-CG 3.28Å; N136-E197 WeakPolarHBondContact OD1-CG 3.23Å
137M96.1Very high96.8Very high1 Ų115.2 Ų15.21%0.0058%0.078CC..Hα-helixtrans-59.1-33.1179.6-81.4-65.9-86.100113.3L140 F141 F182 M186 W196 I201 L216 F263M137-L140 WeakPolarHBondContact O-CB 3.36Å; M137-L140 PolarHBondContact O-N 3.01Å; M137-L140 HydrophobicContact SD-CD1 4.34Å; M137-F141 WeakPolarHBondContact O-CB 3.44Å; M137-F141 PolarHBondContact O-N 2.97Å; M137-F182 HydrophobicContact CE-CD1 4.29Å; M137-F182 HydrophobicContact CE-CE1 3.6Å; M137-F182 HydrophobicContact CE-CE2 4.23Å; M137-F182 HydrophobicContact CE-CZ 3.56Å; M137-F182 HydrophobicContact SD-CE1 4.38Å; M137-F182 HydrophobicContact SD-CZ 3.98Å; M137-M186 HydrophobicContact CB-CE 4.41Å; M137-M186 HydrophobicContact CB-CG 4.17Å; M137-M186 HydrophobicContact CE-CG 4.22Å; M137-W196 HydrophobicContact CB-CB 4.22Å; M137-W196 PolarHBondContact N-O 3.16Å; M137-I201 HydrophobicContact CG-CD1 4.16Å; M137-L216 HydrophobicContact CE-CD2 4.08Å; M137-F263 HydrophobicContact CE-CE2 3.99Å; M137-F263 HydrophobicContact CE-CZ 3.86Å; M137-F263 HydrophobicContact CG-CZ 4.08Å; M137-F263 HydrophobicContact SD-CE2 3.62Å; M137-F263 HydrophobicContact SD-CZ 3.36Å; M137-F263 WeakPolarHBondContact SD-CZ 3.2Å
138F96.9Very high96.7Very high61 Ų6114.4 Ų14.427%0.2687%0.074SC..Hα-helixtrans-64.5-43.9174-173.6-98.7000112.4W68 N136 L140 F141 I142 M186 W196W68-F138 HydrophobicContact CE3-CE1 4.32Å; W68-F138 AromaticContact CH2-CE1 3.67Å; W68-F138 HydrophobicContact CH2-CE1 3.67Å; W68-F138 HydrophobicContact CH2-CZ 4.03Å; W68-F138 AromaticContact CZ3-CD1 3.9Å; W68-F138 HydrophobicContact CZ3-CD1 3.9Å; W68-F138 AromaticContact CZ3-CE1 3.25Å; W68-F138 HydrophobicContact CZ3-CE1 3.25Å; W68-F138 AromaticContact CZ3-CZ 3.9Å; W68-F138 HydrophobicContact CZ3-CZ 3.9Å; N136-F138 PolarHBondContact O-N 2.89Å; F138-L140 VanDerWaalsContact C-N 3.3Å; F138-L140 PolarHBondContact O-N 3.35Å; F138-F141 WeakPolarHBondContact O-CB 3.42Å; F138-F141 PolarHBondContact O-N 2.93Å; F138-F141 VanDerWaalsContact O-N 3.17Å; F138-I142 HydrophobicContact CD1-CD1 3.92Å; F138-I142 HydrophobicContact CD1-CG1 4.36Å; F138-I142 HydrophobicContact CE1-CD1 3.64Å; F138-I142 HydrophobicContact CE1-CG1 4.08Å; F138-I142 WeakPolarHBondContact O-CG1 3.36Å; F138-I142 PolarHBondContact O-N 3.08Å; F138-M186 HydrophobicContact CB-CE 4.11Å; F138-M186 HydrophobicContact CD2-CE 4.23Å; F138-W196 HydrophobicContact CB-CE3 3.75Å; F138-W196 HydrophobicContact CB-CZ3 3.98Å; F138-W196 HydrophobicContact CD2-CZ3 4.1Å; F138-W196 HydrophobicContact CG-CE3 4.49Å; F138-W196 HydrophobicContact CG-CZ3 4.23Å
139Q97.4Very high96.7Very high15 Ų1518.8 Ų18.87%0.0710%0.097CC..Hα-helixtrans-65.3-36.9175.7-176.2176.7-17.400111.4S79 I130 A134 N136 F141 I142 G143S79-Q139 VanDerWaalsContact N-OE1 3.1Å; S79-Q139 PolarHBondContact O-OE1 3.48Å; S79-Q139 VanDerWaalsContact O-OE1 3.06Å; I130-Q139 HydrophobicContact CG2-CG 3.81Å; A134-Q139 HydrophobicContact CB-CB 4.03Å; A134-Q139 HydrophobicContact CB-CG 3.87Å; N136-Q139 HydrophobicContact CB-CB 4.4Å; N136-Q139 PolarHBondContact O-N 2.98Å; Q139-F141 VanDerWaalsContact C-N 3.33Å; Q139-I142 PolarHBondContact O-N 2.89Å; Q139-G143 PolarHBondContact O-N 2.65Å; Q139-G143 VanDerWaalsContact O-N 3.14Å
140L97.3Very high96.7Very high3 Ų320.1 Ų20.12%0.01610%0.103CC..Hα-helixtrans-62-42.3172.8-159.1156.5000110.6L131 A134 N136 M137 F138 G143 W144 F182 L259L131-L140 HydrophobicContact CG-CD2 4.28Å; L131-L140 HydrophobicContact CG-CG 4.36Å; A134-L140 HydrophobicContact CB-CB 3.91Å; A134-L140 HydrophobicContact CB-CG 4.43Å; N136-L140 PolarHBondContact O-N 3.37Å; M137-L140 WeakPolarHBondContact O-CB 3.36Å; M137-L140 PolarHBondContact O-N 3.01Å; M137-L140 HydrophobicContact SD-CD1 4.34Å; F138-L140 VanDerWaalsContact C-N 3.3Å; F138-L140 PolarHBondContact O-N 3.35Å; L140-G143 PolarHBondContact O-N 3.25Å; L140-W144 HydrophobicContact CD2-CE3 4.33Å; L140-W144 VanDerWaalsContact O-CB 3.31Å; L140-W144 WeakPolarHBondContact O-CB 3.2Å; L140-W144 PolarHBondContact O-N 3.39Å; L140-F182 HydrophobicContact CB-CZ 4.3Å; L140-F182 HydrophobicContact CD2-CE2 3.37Å; L140-F182 HydrophobicContact CD2-CZ 3.46Å; L140-F182 VanDerWaalsContact CD2-CZ 3.46Å; L140-F182 HydrophobicContact CG-CZ 4.42Å; L140-L259 HydrophobicContact CD2-CD1 4.1Å
141F97.8Very high96.5Very high37 Ų3718.2 Ų18.216%0.1629%0.094CC..Hα-helixtrans-64.4-38.8176.1-168.9-109.2000113M137 F138 Q139 G143 W144 E145 D179 F182 I183 M186M137-F141 WeakPolarHBondContact O-CB 3.44Å; M137-F141 PolarHBondContact O-N 2.97Å; F138-F141 WeakPolarHBondContact O-CB 3.42Å; F138-F141 PolarHBondContact O-N 2.93Å; F138-F141 VanDerWaalsContact O-N 3.17Å; Q139-F141 VanDerWaalsContact C-N 3.33Å; F141-G143 VanDerWaalsContact C-N 3.33Å; F141-G143 PolarHBondContact O-N 3.43Å; F141-W144 WeakPolarHBondContact O-CB 3.48Å; F141-W144 PolarHBondContact O-N 3.42Å; F141-W144 VanDerWaalsContact O-N 3.17Å; F141-E145 HydrophobicContact CD1-CG 4.23Å; F141-E145 HydrophobicContact CE1-CG 3.75Å; F141-E145 HydrophobicContact CE2-CG 4.09Å; F141-E145 HydrophobicContact CZ-CG 3.66Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.5Å; F141-E145 PolarHBondContact O-N 3.35Å; F141-D179 HydrophobicContact CE2-CB 4.34Å; F141-F182 HydrophobicContact CB-CD1 4.39Å; F141-F182 HydrophobicContact CB-CE1 3.76Å; F141-F182 HydrophobicContact CB-CZ 4.16Å; F141-F182 AromaticContact CD2-CD1 3.51Å; F141-F182 HydrophobicContact CD2-CD1 3.51Å; F141-F182 AromaticContact CD2-CE1 3.74Å; F141-F182 HydrophobicContact CD2-CE1 3.74Å; F141-F182 HydrophobicContact CD2-CG 4.03Å; F141-F182 HydrophobicContact CD2-CZ 4.37Å; F141-F182 HydrophobicContact CE2-CD1 4.22Å; F141-F182 HydrophobicContact CG-CD1 4.31Å; F141-F182 HydrophobicContact CG-CE1 4.16Å; F141-I183 HydrophobicContact CE2-CD1 4.39Å; F141-I183 HydrophobicContact CE2-CG1 4.07Å; F141-I183 HydrophobicContact CZ-CD1 4.04Å; F141-I183 HydrophobicContact CZ-CG1 4.09Å; F141-M186 HydrophobicContact CB-SD 4.15Å; F141-M186 HydrophobicContact CG-SD 4.35Å
142I97.8Very high96.5Very high85 Ų8521.7 Ų21.744%0.43611%0.109SC..Hα-helixtrans-57.2-48.2171.9-66.4170.1000110.4F138 Q139 W144 G146F138-I142 HydrophobicContact CD1-CD1 3.92Å; F138-I142 HydrophobicContact CD1-CG1 4.36Å; F138-I142 HydrophobicContact CE1-CD1 3.64Å; F138-I142 HydrophobicContact CE1-CG1 4.08Å; F138-I142 WeakPolarHBondContact O-CG1 3.36Å; F138-I142 PolarHBondContact O-N 3.08Å; Q139-I142 PolarHBondContact O-N 2.89Å; I142-W144 VanDerWaalsContact C-N 3.32Å; I142-W144 PolarHBondContact O-N 3.22Å; I142-G146 PolarHBondContact O-N 2.89Å
143G97Very high96.5Very high0 Ų024.4 Ų24.40%012%0.123CC..Hα-helixtrans-62.4-40.7176.100000112.2T127 Q139 L140 F141 G146 V147T127-G143 WeakPolarHBondContact O-CA 3.37Å; Q139-G143 PolarHBondContact O-N 2.65Å; Q139-G143 VanDerWaalsContact O-N 3.14Å; L140-G143 PolarHBondContact O-N 3.25Å; F141-G143 VanDerWaalsContact C-N 3.33Å; F141-G143 PolarHBondContact O-N 3.43Å; G143-G146 PolarHBondContact O-N 2.9Å; G143-V147 WeakPolarHBondContact O-CB 3.46Å; G143-V147 VanDerWaalsContact O-CG2 3.26Å; G143-V147 WeakPolarHBondContact O-CG2 3.48Å; G143-V147 PolarHBondContact O-N 3.41Å
144W96.3Very high96.5Very high1 Ų124.2 Ų24.20%0.00412%0.121CC..Hα-helixtrans-62.1-47.6-178.4-174-88.2000113.3L131 L140 F141 I142 G148 D179 F182 A219 K223 A255 L259L131-W144 HydrophobicContact CD1-CB 4.23Å; L131-W144 HydrophobicContact CD1-CE3 4.1Å; L140-W144 HydrophobicContact CD2-CE3 4.33Å; L140-W144 VanDerWaalsContact O-CB 3.31Å; L140-W144 WeakPolarHBondContact O-CB 3.2Å; L140-W144 PolarHBondContact O-N 3.39Å; F141-W144 WeakPolarHBondContact O-CB 3.48Å; F141-W144 PolarHBondContact O-N 3.42Å; F141-W144 VanDerWaalsContact O-N 3.17Å; I142-W144 VanDerWaalsContact C-N 3.32Å; I142-W144 PolarHBondContact O-N 3.22Å; W144-G148 PolarHBondContact O-N 2.86Å; W144-D179 PolarHBondContact NE1-OD1 3.41Å; W144-F182 HydrophobicContact CD2-CD2 4.12Å; W144-F182 HydrophobicContact CD2-CE2 4.21Å; W144-F182 HydrophobicContact CE3-CD2 4.35Å; W144-F182 HydrophobicContact CE3-CE2 4.17Å; W144-F182 HydrophobicContact CG-CE2 4.5Å; W144-F182 HydrophobicContact CZ2-CD2 4.37Å; W144-A219 HydrophobicContact CH2-CB 4.06Å; W144-A219 WeakPolarHBondContact CH2-O 3.33Å; W144-A219 HydrophobicContact CZ2-CB 3.81Å; W144-A219 WeakPolarHBondContact CZ2-O 3.49Å; W144-K223 HydrophobicContact CD2-CG 4.13Å; W144-K223 VanDerWaalsContact CE2-CG 3.44Å; W144-K223 HydrophobicContact CE3-CG 4.42Å; W144-K223 HydrophobicContact CH2-CB 3.83Å; W144-K223 HydrophobicContact CH2-CG 3.47Å; W144-K223 VanDerWaalsContact CH2-CG 3.47Å; W144-K223 HydrophobicContact CZ2-CB 3.92Å; W144-K223 HydrophobicContact CZ2-CD 4.25Å; W144-K223 HydrophobicContact CZ2-CG 3.1Å; W144-K223 HydrophobicContact CZ3-CG 4.11Å; W144-K223 VanDerWaalsContact NE1-CE 3.27Å; W144-K223 PolarHBondContact O-NZ 3.11Å; W144-A255 HydrophobicContact CZ3-CB 4.39Å; W144-L259 HydrophobicContact CE3-CD1 4.23Å; W144-L259 HydrophobicContact CH2-CD1 4.1Å; W144-L259 HydrophobicContact CZ3-CB 4.19Å; W144-L259 HydrophobicContact CZ3-CD1 3.69Å
145E97Very high96.5Very high30 Ų3024.2 Ų24.214%0.1412%0.122CC..Hα-helixtrans-69.5-42.4173.6-74.7-69.2173.200111.7F141 V147 G148 I149 R176 D179F141-E145 HydrophobicContact CD1-CG 4.23Å; F141-E145 HydrophobicContact CE1-CG 3.75Å; F141-E145 HydrophobicContact CE2-CG 4.09Å; F141-E145 HydrophobicContact CZ-CG 3.66Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.5Å; F141-E145 PolarHBondContact O-N 3.35Å; E145-V147 VanDerWaalsContact C-N 3.31Å; E145-V147 PolarHBondContact O-N 3.47Å; E145-G148 CarbonylContact O-C 3.52Å; E145-G148 WeakPolarHBondContact O-CA 3.29Å; E145-G148 PolarHBondContact O-N 3.33Å; E145-I149 PolarHBondContact O-N 3.16Å; E145-R176 IonicContact OE1-CZ 3.15Å; E145-R176 IonicContact OE1-NH1 3.97Å; E145-R176 PolarHBondContact OE1-NH1 3.48Å; E145-R176 IonicContact OE1-NH2 2.58Å; E145-R176 IonicContact OE2-CZ 3.62Å; E145-R176 IonicContact OE2-NH1 3.85Å; E145-R176 PolarHBondContact OE2-NH1 3.32Å; E145-R176 VanDerWaalsContact OE2-NH1 3.15Å; E145-R176 IonicContact OE2-NH2 3.85Å; E145-R176 PolarHBondContact OE2-NH2 3.38Å; E145-D179 VanDerWaalsContact OE1-OD2 3.07Å
146G96.6Very high96.5Very high12 Ų1224.8 Ų24.812%0.12413%0.128CC..Hα-helixtrans-56.9-43.8177.300000112.5I142 G143 G148 I149 M150I142-G146 PolarHBondContact O-N 2.89Å; G143-G146 PolarHBondContact O-N 2.9Å; G146-G148 VanDerWaalsContact C-N 3.33Å; G146-I149 WeakPolarHBondContact O-CG2 3.27Å; G146-M150 WeakPolarHBondContact O-CB 3.42Å; G146-M150 WeakPolarHBondContact O-CG 3.32Å; G146-M150 PolarHBondContact O-N 3.3Å; G146-M150 VanDerWaalsContact O-N 3.13Å
147V95.8Very high96.5Very high1 Ų125.6 Ų25.61%0.00613%0.13CC..Hα-helixtrans-63.6-40.1172.3166.20000110.8F124 M128 G143 E145 S151 M252F124-V147 HydrophobicContact CE2-CB 4.2Å; F124-V147 HydrophobicContact CE2-CG1 3.64Å; F124-V147 HydrophobicContact CE2-CG2 4.3Å; F124-V147 HydrophobicContact CZ-CG1 3.97Å; F124-V147 HydrophobicContact CZ-CG2 4.45Å; M128-V147 HydrophobicContact CB-CG2 4.12Å; M128-V147 HydrophobicContact SD-CG2 4.11Å; G143-V147 WeakPolarHBondContact O-CB 3.46Å; G143-V147 VanDerWaalsContact O-CG2 3.26Å; G143-V147 WeakPolarHBondContact O-CG2 3.48Å; G143-V147 PolarHBondContact O-N 3.41Å; E145-V147 VanDerWaalsContact C-N 3.31Å; E145-V147 PolarHBondContact O-N 3.47Å; V147-S151 WeakPolarHBondContact O-CB 3.32Å; V147-S151 PolarHBondContact O-N 2.91Å; V147-M252 HydrophobicContact CG1-CB 3.78Å; V147-M252 HydrophobicContact CG1-CG 3.72Å
148G95.2Very high96.5Very high5 Ų529.3 Ų29.35%0.05214%0.144CC..Hα-helixtrans-61.7-51.1177.500000113.5W144 E145 G146 S151 F152W144-G148 PolarHBondContact O-N 2.86Å; E145-G148 CarbonylContact O-C 3.52Å; E145-G148 WeakPolarHBondContact O-CA 3.29Å; E145-G148 PolarHBondContact O-N 3.33Å; G146-G148 VanDerWaalsContact C-N 3.33Å; G148-S151 PolarHBondContact O-N 3.27Å; G148-S151 PolarHBondContact O-OG 3.44Å; G148-F152 PolarHBondContact O-N 2.99Å; G148-F152 VanDerWaalsContact O-N 3.16Å
149I96.1Very high96.4Very high91 Ų9135.1 Ų35.147%0.46717%0.166SC..Hα-helixtrans-69.6-36.9-178.6-166.3165000112.3E145 G146 S151 F152 L153E145-I149 PolarHBondContact O-N 3.16Å; G146-I149 WeakPolarHBondContact O-CG2 3.27Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 3.41Å; I149-F152 WeakPolarHBondContact O-CB 3.43Å; I149-F152 PolarHBondContact O-N 3.08Å; I149-L153 WeakPolarHBondContact O-CG 3.31Å; I149-L153 PolarHBondContact O-N 2.82Å; I149-L153 VanDerWaalsContact O-N 3.14Å
150M96.1Very high96.2Very high28 Ų2837.7 Ų37.714%0.13820%0.196CC..Hα-helixtrans-66.5-36175.3-68.1-61.4144.600111.1L123 F124 G146 F152 L153 L154L123-M150 HydrophobicContact CB-CE 4.17Å; L123-M150 HydrophobicContact CB-CG 4.45Å; L123-M150 HydrophobicContact CB-SD 3.79Å; L123-M150 HydrophobicContact CD1-CE 4.19Å; L123-M150 HydrophobicContact CD1-SD 4.3Å; F124-M150 HydrophobicContact CB-CB 3.95Å; F124-M150 HydrophobicContact CB-CG 4.35Å; F124-M150 HydrophobicContact CD2-CB 3.74Å; F124-M150 HydrophobicContact CG-CB 4.34Å; G146-M150 WeakPolarHBondContact O-CB 3.42Å; G146-M150 WeakPolarHBondContact O-CG 3.32Å; G146-M150 PolarHBondContact O-N 3.3Å; G146-M150 VanDerWaalsContact O-N 3.13Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.3Å; M150-L153 HydrophobicContact CE-CD1 4.45Å; M150-L153 PolarHBondContact O-N 3.15Å; M150-L153 HydrophobicContact SD-CD1 4.23Å; M150-L154 WeakPolarHBondContact O-CB 3.41Å; M150-L154 VanDerWaalsContact O-CG 3.25Å; M150-L154 WeakPolarHBondContact O-CG 3.34Å; M150-L154 PolarHBondContact O-N 2.75Å
151S94.6Very high96.1Very high0 Ų043.5 Ų43.50%022%0.218CC..Hα-helixtrans-61.9-40.3173.1770000112.4V147 G148 I149 L154 I155 M252V147-S151 WeakPolarHBondContact O-CB 3.32Å; V147-S151 PolarHBondContact O-N 2.91Å; G148-S151 PolarHBondContact O-N 3.27Å; G148-S151 PolarHBondContact O-OG 3.44Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 3.41Å; S151-L154 PolarHBondContact O-N 3.07Å; S151-I155 WeakPolarHBondContact O-CB 3.44Å; S151-I155 WeakPolarHBondContact O-CD1 3.03Å; S151-I155 WeakPolarHBondContact O-CG1 3.31Å; S151-I155 PolarHBondContact O-N 3.19Å; S151-M252 WeakPolarHBondContact CB-SD 3.32Å; S151-M252 VanDerWaalsContact OG-CE 3.32Å; S151-M252 WeakPolarHBondContact OG-CE 3.49Å
152F96.3Very high96.1Very high73 Ų7346.5 Ų46.532%0.3224%0.239SC..Hα-helixtrans-59.8-48.6175.7170.8-99.5000112G148 I149 M150 L154 G156 A168 I172G148-F152 PolarHBondContact O-N 2.99Å; G148-F152 VanDerWaalsContact O-N 3.16Å; I149-F152 WeakPolarHBondContact O-CB 3.43Å; I149-F152 PolarHBondContact O-N 3.08Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.3Å; F152-L154 VanDerWaalsContact C-N 3.32Å; F152-L154 PolarHBondContact O-N 2.92Å; F152-G156 PolarHBondContact O-N 3.48Å; F152-A168 HydrophobicContact CD2-CB 3.5Å; F152-A168 VanDerWaalsContact CD2-CB 3.5Å; F152-A168 HydrophobicContact CE2-CB 3.78Å; F152-A168 HydrophobicContact CG-CB 4.33Å; F152-I172 HydrophobicContact CB-CD1 3.68Å; F152-I172 HydrophobicContact CB-CG1 3.86Å; F152-I172 HydrophobicContact CD1-CD1 4.14Å; F152-I172 HydrophobicContact CD2-CD1 3.18Å; F152-I172 HydrophobicContact CD2-CG1 3.74Å; F152-I172 HydrophobicContact CE2-CD1 3.77Å; F152-I172 HydrophobicContact CG-CD1 3.4Å; F152-I172 HydrophobicContact CG-CG1 4.05Å; F152-I172 HydrophobicContact CZ-CD1 4.45Å
153L97.1Very high96Very high57 Ų5747.3 Ų47.330%0.29825%0.245SC..Hα-helixtrans-65.2-35.1-180-67171.3000112.8Y120 I149 M150 W157Y120-L153 HydrophobicContact CD2-CB 4.35Å; Y120-L153 HydrophobicContact CE2-CB 4.29Å; I149-L153 WeakPolarHBondContact O-CG 3.31Å; I149-L153 PolarHBondContact O-N 2.82Å; I149-L153 VanDerWaalsContact O-N 3.14Å; M150-L153 HydrophobicContact CE-CD1 4.45Å; M150-L153 PolarHBondContact O-N 3.15Å; M150-L153 HydrophobicContact SD-CD1 4.23Å; L153-W157 PolarHBondContact O-N 3.48Å
154L96.6Very high95.9Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-80.8-35.4-178.3-71.6171.6000113F117 Y120 L121 F124 M150 S151 F152 W157 V243F117-L154 HydrophobicContact CD2-CD2 4.24Å; F117-L154 HydrophobicContact CE2-CD2 4.14Å; Y120-L154 HydrophobicContact CD2-CD2 4.34Å; L121-L154 HydrophobicContact CD2-CD1 3.94Å; L121-L154 HydrophobicContact CD2-CD2 4.07Å; F124-L154 HydrophobicContact CB-CD1 4.37Å; M150-L154 WeakPolarHBondContact O-CB 3.41Å; M150-L154 VanDerWaalsContact O-CG 3.25Å; M150-L154 WeakPolarHBondContact O-CG 3.34Å; M150-L154 PolarHBondContact O-N 2.75Å; S151-L154 PolarHBondContact O-N 3.07Å; F152-L154 VanDerWaalsContact C-N 3.32Å; F152-L154 PolarHBondContact O-N 2.92Å; L154-W157 WeakPolarHBondContact O-CB 3.46Å; L154-V243 HydrophobicContact CB-CB 4.42Å; L154-V243 HydrophobicContact CB-CG1 3.63Å; L154-V243 HydrophobicContact CB-CG2 3.84Å; L154-V243 HydrophobicContact CD1-CG1 4.42Å; L154-V243 HydrophobicContact CD1-CG2 4.39Å; L154-V243 HydrophobicContact CD2-CG2 3.85Å; L154-V243 HydrophobicContact CG-CG2 4.24Å
155I96.6Very high95.9Very high2 Ų250.7 Ų50.71%0.0126%0.263CS..Hα-helixtrans-68.5-45.5172.7-65163.6000109.4S151 W157 A167 A168 A171 A236 L247S151-I155 WeakPolarHBondContact O-CB 3.44Å; S151-I155 WeakPolarHBondContact O-CD1 3.03Å; S151-I155 WeakPolarHBondContact O-CG1 3.31Å; S151-I155 PolarHBondContact O-N 3.19Å; I155-W157 PolarHBondContact O-N 2.86Å; I155-W157 VanDerWaalsContact O-N 3.13Å; I155-A167 HydrophobicContact CG2-CB 4.05Å; I155-A168 HydrophobicContact CB-CB 4.15Å; I155-A168 HydrophobicContact CG2-CB 4.02Å; I155-A171 HydrophobicContact CD1-CB 4.04Å; I155-A236 HydrophobicContact CD1-CB 3.69Å; I155-A236 HydrophobicContact CG1-CB 4.12Å; I155-L247 HydrophobicContact CG1-CD1 4.45Å
156G96Very high95.9Very high13 Ų1353.4 Ų53.413%0.13428%0.281CS..THydrogen-bonded Turntrans-79.224176.700000114.9F152 W158 Y159F152-G156 PolarHBondContact O-N 3.48Å; G156-W158 PolarHBondContact O-N 3Å; G156-Y159 PolarHBondContact O-N 2.99Å
157W96.7Very high95.9Very high23 Ų2352.9 Ų52.99%0.08728%0.276CS..SBendtrans-56.8-48.4-175.9178.4-105.2000112.1D111 N113 R116 F117 Y120 L153 L154 I155 Y159D111-W157 WeakPolarHBondContact OD2-CZ2 3.47Å; D111-W157 PolarHBondContact OD2-NE1 3.36Å; N113-W157 HydrophobicContact CB-CH2 3.98Å; N113-W157 HydrophobicContact CB-CZ2 3.87Å; N113-W157 WeakPolarHBondContact O-CH2 3.28Å; R116-W157 HydrophobicContact CB-CH2 4.04Å; R116-W157 HydrophobicContact CB-CZ3 4.48Å; R116-W157 HydrophobicContact CG-CH2 4.18Å; R116-W157 HydrophobicContact CG-CZ3 4.15Å; F117-W157 HydrophobicContact CB-CH2 3.62Å; F117-W157 HydrophobicContact CB-CZ2 3.83Å; F117-W157 HydrophobicContact CB-CZ3 4.03Å; F117-W157 AromaticContact CD2-CD2 3.99Å; F117-W157 HydrophobicContact CD2-CD2 3.99Å; F117-W157 HydrophobicContact CD2-CE3 4.07Å; F117-W157 HydrophobicContact CD2-CG 4.49Å; F117-W157 HydrophobicContact CD2-CH2 4.48Å; F117-W157 HydrophobicContact CD2-CZ2 4.41Å; F117-W157 HydrophobicContact CD2-CZ3 4.31Å; Y120-W157 HydrophobicContact CD2-CE3 4.25Å; Y120-W157 AromaticContact CD2-CZ3 3.89Å; Y120-W157 HydrophobicContact CD2-CZ3 3.89Å; Y120-W157 HydrophobicContact CE2-CE3 4.36Å; Y120-W157 AromaticContact CE2-CZ3 3.9Å; Y120-W157 HydrophobicContact CE2-CZ3 3.9Å; L153-W157 PolarHBondContact O-N 3.48Å; L154-W157 WeakPolarHBondContact O-CB 3.46Å; I155-W157 PolarHBondContact O-N 2.86Å; I155-W157 VanDerWaalsContact O-N 3.13Å; W157-Y159 VanDerWaalsContact C-N 3.3Å; W157-Y159 PolarHBondContact O-N 2.99Å; W157-Y159 VanDerWaalsContact O-N 3.13Å
158W95.1Very high95.9Very high78 Ų7852.9 Ų52.930%0.29528%0.276SS..SBendtrans-86.972.2171.8-63-45.3000110.6G156 G160 R161 P240G156-W158 PolarHBondContact O-N 3Å; W158-G160 PolarHBondContact O-N 3.34Å; W158-R161 HydrophobicContact CB-CG 4.39Å; W158-R161 PolarHBondContact O-N 3.32Å; W158-P240 HydrophobicContact CH2-CB 4.43Å
159Y94.9Very high96Very high183 Ų18358 Ų5872%0.71830%0.302SS*.THydrogen-bonded Turntrans-56.3-17.1-175.262.5-94.9000115.4G156 W157 R161 N165G156-Y159 PolarHBondContact O-N 2.99Å; W157-Y159 VanDerWaalsContact C-N 3.3Å; W157-Y159 PolarHBondContact O-N 2.99Å; W157-Y159 VanDerWaalsContact O-N 3.13Å; Y159-R161 VanDerWaalsContact C-N 3.34Å; Y159-N165 PolarHBondContact O-ND2 3.38Å
160G94.3Very high95.9Very high69 Ų6955.3 Ų55.371%0.71129%0.287SS*.THydrogen-bonded Turntrans-73.9-21173.800000114W158W158-G160 PolarHBondContact O-N 3.34Å
161R94.7Very high95.9Very high126 Ų12654 Ų5448%0.47528%0.281SS..  trans-83.5118.1177.2-64.7-174.7-176177.33.2109.6W158 Y159 D163 A164 N165W158-R161 HydrophobicContact CB-CG 4.39Å; W158-R161 PolarHBondContact O-N 3.32Å; Y159-R161 VanDerWaalsContact C-N 3.34Å; R161-D163 VanDerWaalsContact C-N 3.27Å; R161-D163 PolarHBondContact O-N 3.24Å; R161-A164 HydrophobicContact CB-CB 4.08Å; R161-A164 PolarHBondContact O-N 2.97Å; R161-N165 PolarHBondContact O-N 2.98Å
162T96.8Very high96Very high100 Ų10056.3 Ų56.361%0.61329%0.293SS*.Hα-helixtrans-59.6-38.4179.249.10000112.2A164 N165 T166T162-A164 VanDerWaalsContact C-N 3.33Å; T162-A164 PolarHBondContact O-N 3.36Å; T162-N165 PolarHBondContact O-N 3.48Å; T162-T166 WeakPolarHBondContact O-CG2 3.12Å; T162-T166 PolarHBondContact O-N 3.27Å; T162-T166 PolarHBondContact O-OG1 2.84Å
163D95.4Very high96Very high102 Ų10257.7 Ų57.755%0.54530%0.303SS..Hα-helixtrans-67.3-33.3-178.9-61.5-27.8000112.6R161 T166 A167R161-D163 VanDerWaalsContact C-N 3.27Å; R161-D163 PolarHBondContact O-N 3.24Å; D163-T166 WeakPolarHBondContact CA-OG1 3.24Å; D163-T166 PolarHBondContact O-OG1 3.44Å; D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.26Å; D163-A167 PolarHBondContact O-N 3.14Å
164A95.4Very high96Very high1 Ų155.6 Ų55.61%0.00829%0.291CS..Hα-helixtrans-67.5-40.5174.100000111.3R161 T162 A167 A168R161-A164 HydrophobicContact CB-CB 4.08Å; R161-A164 PolarHBondContact O-N 2.97Å; T162-A164 VanDerWaalsContact C-N 3.33Å; T162-A164 PolarHBondContact O-N 3.36Å; A164-A167 PolarHBondContact O-N 3.1Å; A164-A168 VanDerWaalsContact O-CB 3.31Å; A164-A168 WeakPolarHBondContact O-CB 3.29Å; A164-A168 PolarHBondContact O-N 3.02Å
165N96.8Very high95.9Very high70 Ų7055.8 Ų55.837%0.37429%0.292SS..Hα-helixtrans-68.1-41.2178.3-65.4-22.9000111.9Y159 R161 T162 A168 L169Y159-N165 PolarHBondContact O-ND2 3.38Å; R161-N165 PolarHBondContact O-N 2.98Å; T162-N165 PolarHBondContact O-N 3.48Å; N165-A168 PolarHBondContact O-N 3.16Å; N165-L169 WeakPolarHBondContact O-CB 3.44Å; N165-L169 PolarHBondContact O-N 3.38Å
166T96.8Very high95.9Very high87 Ų8761.6 Ų61.653%0.53431%0.314SS..Hα-helixtrans-66.4-41.5175.958.70000111.1T162 D163 L169 Q170T162-T166 WeakPolarHBondContact O-CG2 3.12Å; T162-T166 PolarHBondContact O-N 3.27Å; T162-T166 PolarHBondContact O-OG1 2.84Å; D163-T166 WeakPolarHBondContact CA-OG1 3.24Å; D163-T166 PolarHBondContact O-OG1 3.44Å; T166-L169 PolarHBondContact O-N 2.85Å; T166-Q170 VanDerWaalsContact O-CB 3.25Å; T166-Q170 WeakPolarHBondContact O-CB 3.39Å; T166-Q170 PolarHBondContact O-N 3.1Å
167A96.3Very high96Very high2 Ų264 Ų642%0.01732%0.323CS..Hα-helixtrans-62-42.7174.500000112.6I155 D163 A164 Q170 A171 S235I155-A167 HydrophobicContact CG2-CB 4.05Å; D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.26Å; D163-A167 PolarHBondContact O-N 3.14Å; A164-A167 PolarHBondContact O-N 3.1Å; A167-Q170 WeakPolarHBondContact O-CB 3.4Å; A167-Q170 PolarHBondContact O-N 3.09Å; A167-A171 PolarHBondContact O-N 3.07Å; A167-S235 WeakPolarHBondContact CB-O 3.39Å
168A96.4Very high95.9Very high1 Ų162.9 Ų62.91%0.00832%0.319CS..Hα-helixtrans-64.1-45.5177.300000111.5F152 I155 A164 N165 Q170 A171 I172F152-A168 HydrophobicContact CD2-CB 3.5Å; F152-A168 VanDerWaalsContact CD2-CB 3.5Å; F152-A168 HydrophobicContact CE2-CB 3.78Å; F152-A168 HydrophobicContact CG-CB 4.33Å; I155-A168 HydrophobicContact CB-CB 4.15Å; I155-A168 HydrophobicContact CG2-CB 4.02Å; A164-A168 VanDerWaalsContact O-CB 3.31Å; A164-A168 WeakPolarHBondContact O-CB 3.29Å; A164-A168 PolarHBondContact O-N 3.02Å; N165-A168 PolarHBondContact O-N 3.16Å; A168-Q170 VanDerWaalsContact C-N 3.32Å; A168-Q170 PolarHBondContact O-N 3.29Å; A168-A171 PolarHBondContact O-N 2.92Å; A168-I172 PolarHBondContact O-N 2.93Å; A168-I172 VanDerWaalsContact O-N 3.11Å
169L96.3Very high96Very high111 Ų11159.3 Ų59.358%0.58131%0.306SS*.Hα-helixtrans-63.3-40.1176.3-17468.4000111.7N165 T166 A171 I172 L173N165-L169 WeakPolarHBondContact O-CB 3.44Å; N165-L169 PolarHBondContact O-N 3.38Å; T166-L169 PolarHBondContact O-N 2.85Å; L169-A171 VanDerWaalsContact C-N 3.35Å; L169-A171 PolarHBondContact O-N 3.24Å; L169-I172 PolarHBondContact O-N 3.28Å; L169-L173 PolarHBondContact O-N 2.85Å
170Q95.8Very high96.1Very high36 Ų3656.4 Ų56.417%0.16830%0.301CS..Hα-helixtrans-57.7-48.5174.8-172.9-170.9-13.400110.5T166 A167 A168 I172 L173 Y174 P231 W232 S235 H534T166-Q170 VanDerWaalsContact O-CB 3.25Å; T166-Q170 WeakPolarHBondContact O-CB 3.39Å; T166-Q170 PolarHBondContact O-N 3.1Å; A167-Q170 WeakPolarHBondContact O-CB 3.4Å; A167-Q170 PolarHBondContact O-N 3.09Å; A168-Q170 VanDerWaalsContact C-N 3.32Å; A168-Q170 PolarHBondContact O-N 3.29Å; Q170-I172 VanDerWaalsContact C-N 3.35Å; Q170-I172 PolarHBondContact O-N 3.47Å; Q170-L173 PolarHBondContact O-N 3.46Å; Q170-L173 VanDerWaalsContact O-N 3.15Å; Q170-Y174 HydrophobicContact CG-CD2 3.71Å; Q170-Y174 HydrophobicContact CG-CE2 3.45Å; Q170-Y174 VanDerWaalsContact CG-CE2 3.45Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.22Å; Q170-Y174 PolarHBondContact O-N 2.95Å; Q170-Y174 VanDerWaalsContact O-N 3.07Å; Q170-P231 PolarHBondContact NE2-O 3Å; Q170-W232 HydrophobicContact CG-CB 4.23Å; Q170-S235 PolarHBondContact OE1-OG 3.17Å; Q170-H534 PolarHBondContact NE2-CE1 3.35Å
171A95.1Very high96.3Very high0 Ų053.2 Ų53.20%027%0.268CS..Hα-helixtrans-59.3-41.4177.300000112.8I155 A167 A168 L169 N175 W232I155-A171 HydrophobicContact CD1-CB 4.04Å; A167-A171 PolarHBondContact O-N 3.07Å; A168-A171 PolarHBondContact O-N 2.92Å; L169-A171 VanDerWaalsContact C-N 3.35Å; L169-A171 PolarHBondContact O-N 3.24Å; A171-N175 WeakPolarHBondContact O-CB 3.31Å; A171-N175 PolarHBondContact O-N 3.14Å; A171-N175 PolarHBondContact O-ND2 3.36Å; A171-N175 VanDerWaalsContact O-ND2 3.11Å; A171-W232 HydrophobicContact CB-CB 4.41Å; A171-W232 HydrophobicContact CB-CE3 3.99Å
172I96.7Very high96.4Very high48 Ų4847.2 Ų47.225%0.24625%0.245CC..Hα-helixtrans-59.6-48.7173.3-71-175.8000110.7F152 A168 L169 Q170 Y174 N175 R176F152-I172 HydrophobicContact CB-CD1 3.68Å; F152-I172 HydrophobicContact CB-CG1 3.86Å; F152-I172 HydrophobicContact CD1-CD1 4.14Å; F152-I172 HydrophobicContact CD2-CD1 3.18Å; F152-I172 HydrophobicContact CD2-CG1 3.74Å; F152-I172 HydrophobicContact CE2-CD1 3.77Å; F152-I172 HydrophobicContact CG-CD1 3.4Å; F152-I172 HydrophobicContact CG-CG1 4.05Å; F152-I172 HydrophobicContact CZ-CD1 4.45Å; A168-I172 PolarHBondContact O-N 2.93Å; A168-I172 VanDerWaalsContact O-N 3.11Å; L169-I172 PolarHBondContact O-N 3.28Å; Q170-I172 VanDerWaalsContact C-N 3.35Å; Q170-I172 PolarHBondContact O-N 3.47Å; I172-Y174 PolarHBondContact O-N 2.96Å; I172-N175 PolarHBondContact O-N 3.35Å; I172-R176 HydrophobicContact CG2-CG 3.91Å; I172-R176 WeakPolarHBondContact O-CB 3.44Å; I172-R176 WeakPolarHBondContact O-CG 3.48Å; I172-R176 PolarHBondContact O-N 2.96Å
173L96.6Very high96.4Very high102 Ų10245.9 Ų45.953%0.53423%0.234SC..Hα-helixtrans-60.5-46.1-175.1-171.4149.5000111.7L169 Q170 R176 I177L169-L173 PolarHBondContact O-N 2.85Å; Q170-L173 PolarHBondContact O-N 3.46Å; Q170-L173 VanDerWaalsContact O-N 3.15Å; L173-R176 PolarHBondContact O-N 3.23Å; L173-I177 HydrophobicContact CD2-CD1 3.74Å; L173-I177 WeakPolarHBondContact O-CG1 3.44Å; L173-I177 PolarHBondContact O-N 3.13Å; L173-I177 VanDerWaalsContact O-N 3.11Å
174Y96.1Very high96.5Very high13 Ų1344.6 Ų44.65%0.05123%0.226CC..Hα-helixtrans-65.8-37.9177.2-77.1-73.1000112.8Q170 I172 I177 G178 L229 W232 H534Q170-Y174 HydrophobicContact CG-CD2 3.71Å; Q170-Y174 HydrophobicContact CG-CE2 3.45Å; Q170-Y174 VanDerWaalsContact CG-CE2 3.45Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.22Å; Q170-Y174 PolarHBondContact O-N 2.95Å; Q170-Y174 VanDerWaalsContact O-N 3.07Å; I172-Y174 PolarHBondContact O-N 2.96Å; Y174-I177 PolarHBondContact O-N 3.17Å; Y174-G178 PolarHBondContact O-N 2.6Å; Y174-L229 HydrophobicContact CD1-CB 3.72Å; Y174-L229 HydrophobicContact CD1-CD2 3.49Å; Y174-L229 VanDerWaalsContact CD1-CD2 3.49Å; Y174-L229 HydrophobicContact CD1-CG 4.15Å; Y174-L229 HydrophobicContact CE1-CB 4.23Å; Y174-L229 HydrophobicContact CE1-CD2 3.75Å; Y174-W232 HydrophobicContact CD2-CB 3.65Å; Y174-W232 AromaticContact CD2-CD1 3.99Å; Y174-W232 HydrophobicContact CD2-CG 4.18Å; Y174-W232 HydrophobicContact CE2-CB 4.3Å; Y174-W232 HydrophobicContact CG-CB 4.28Å; Y174-W232 AromaticContact CG-CD1 3.74Å; Y174-W232 HydrophobicContact CG-CG 4.33Å; Y174-H534 AromaticContact CE2-NE2 3.96Å; Y174-H534 AromaticContact CZ-NE2 3.83Å; Y174-H534 PolarHBondContact OH-NE2 3.31Å
175N95.2Very high96.6Very high4 Ų444.5 Ų44.52%0.02123%0.226CC..Hα-helixtrans-62.6-44.3174-69.7-21.9000111.3A171 I172 I177 G178 D179 K223 M252A171-N175 WeakPolarHBondContact O-CB 3.31Å; A171-N175 PolarHBondContact O-N 3.14Å; A171-N175 PolarHBondContact O-ND2 3.36Å; A171-N175 VanDerWaalsContact O-ND2 3.11Å; I172-N175 PolarHBondContact O-N 3.35Å; N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.49Å; N175-G178 CarbonylContact O-C 3.41Å; N175-G178 VanDerWaalsContact O-CA 3.28Å; N175-G178 WeakPolarHBondContact O-CA 3.49Å; N175-G178 PolarHBondContact O-N 3.35Å; N175-D179 PolarHBondContact O-N 3.12Å; N175-D179 VanDerWaalsContact O-OD1 3.09Å; N175-K223 HydrophobicContact CB-CD 4.49Å; N175-K223 WeakPolarHBondContact OD1-CD 3.34Å; N175-M252 WeakPolarHBondContact ND2-CE 3.27Å
176R96.8Very high96.6Very high124 Ų12441.9 Ų41.947%0.46821%0.212SC..Hα-helixtrans-60.9-36.1178.6-69.9-74.6175-151.2-13.4113E145 I172 L173 G178 D179 I180E145-R176 IonicContact OE1-CZ 3.15Å; E145-R176 IonicContact OE1-NH1 3.97Å; E145-R176 PolarHBondContact OE1-NH1 3.48Å; E145-R176 IonicContact OE1-NH2 2.58Å; E145-R176 IonicContact OE2-CZ 3.62Å; E145-R176 IonicContact OE2-NH1 3.85Å; E145-R176 PolarHBondContact OE2-NH1 3.32Å; E145-R176 VanDerWaalsContact OE2-NH1 3.15Å; E145-R176 IonicContact OE2-NH2 3.85Å; E145-R176 PolarHBondContact OE2-NH2 3.38Å; I172-R176 HydrophobicContact CG2-CG 3.91Å; I172-R176 WeakPolarHBondContact O-CB 3.44Å; I172-R176 WeakPolarHBondContact O-CG 3.48Å; I172-R176 PolarHBondContact O-N 2.96Å; L173-R176 PolarHBondContact O-N 3.23Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 3.04Å; R176-D179 VanDerWaalsContact CA-OD2 3.26Å; R176-D179 WeakPolarHBondContact CA-OD2 3.22Å; R176-D179 WeakPolarHBondContact CD-OD2 3.38Å; R176-D179 IonicContact CZ-OD2 2.71Å; R176-D179 IonicContact NH1-OD2 3.72Å; R176-D179 PolarHBondContact O-N 3.48Å; R176-I180 WeakPolarHBondContact O-CG1 3.42Å; R176-I180 PolarHBondContact O-N 3.21Å
177I97.2Very high96.6Very high64 Ų6442 Ų4233%0.32821%0.208SC..Hα-helixtrans-61.7-41.3171.4-66.2166.8000110.5L173 Y174 N175 L229L173-I177 HydrophobicContact CD2-CD1 3.74Å; L173-I177 WeakPolarHBondContact O-CG1 3.44Å; L173-I177 PolarHBondContact O-N 3.13Å; L173-I177 VanDerWaalsContact O-N 3.11Å; Y174-I177 PolarHBondContact O-N 3.17Å; N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.49Å; I177-L229 HydrophobicContact CD1-CD2 4.11Å; I177-L229 HydrophobicContact CG2-CD1 4.04Å; I177-L229 HydrophobicContact CG2-CD2 4.12Å
178G96.1Very high96.6Very high0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-63.7-40172.600000113.1Y174 N175 R176 I180 G181 F182 A219Y174-G178 PolarHBondContact O-N 2.6Å; N175-G178 CarbonylContact O-C 3.41Å; N175-G178 VanDerWaalsContact O-CA 3.28Å; N175-G178 WeakPolarHBondContact O-CA 3.49Å; N175-G178 PolarHBondContact O-N 3.35Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 3.04Å; G178-I180 PolarHBondContact O-N 3.5Å; G178-G181 PolarHBondContact O-N 3.27Å; G178-F182 PolarHBondContact O-N 2.92Å; G178-F182 VanDerWaalsContact O-N 3.1Å; G178-A219 VanDerWaalsContact O-CA 3.31Å; G178-A219 WeakPolarHBondContact O-CA 3.48Å; G178-A219 WeakPolarHBondContact O-CB 3.34Å
179D96.7Very high96.5Very high3 Ų343.9 Ų43.92%0.01621%0.214CC..Hα-helixtrans-61.8-32.6-179-54.9-25.1000111.7F141 W144 E145 N175 R176 G181 F182 I183F141-D179 HydrophobicContact CE2-CB 4.34Å; W144-D179 PolarHBondContact NE1-OD1 3.41Å; E145-D179 VanDerWaalsContact OE1-OD2 3.07Å; N175-D179 PolarHBondContact O-N 3.12Å; N175-D179 VanDerWaalsContact O-OD1 3.09Å; R176-D179 VanDerWaalsContact CA-OD2 3.26Å; R176-D179 WeakPolarHBondContact CA-OD2 3.22Å; R176-D179 WeakPolarHBondContact CD-OD2 3.38Å; R176-D179 IonicContact CZ-OD2 2.71Å; R176-D179 IonicContact NH1-OD2 3.72Å; R176-D179 PolarHBondContact O-N 3.48Å; D179-G181 VanDerWaalsContact C-N 3.3Å; D179-G181 PolarHBondContact O-N 3.42Å; D179-F182 PolarHBondContact O-N 3.1Å; D179-I183 WeakPolarHBondContact O-CB 3.42Å; D179-I183 VanDerWaalsContact O-CG1 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.41Å; D179-I183 PolarHBondContact O-N 2.94Å
180I97.7Very high96.4Very high122 Ų12240 Ų4063%0.62620%0.197SC*.Hα-helixtrans-57-45.4172.8-63.9167000110.6R176 G178 L184R176-I180 WeakPolarHBondContact O-CG1 3.42Å; R176-I180 PolarHBondContact O-N 3.21Å; G178-I180 PolarHBondContact O-N 3.5Å; I180-L184 WeakPolarHBondContact O-CB 3.47Å; I180-L184 PolarHBondContact O-N 2.83Å
181G97Very high96.4Very high1 Ų144.8 Ų44.81%0.0122%0.223CC..Hα-helixtrans-67.2-38.5177.400000112.7G178 D179 L184 A185 G215G178-G181 PolarHBondContact O-N 3.27Å; D179-G181 VanDerWaalsContact C-N 3.3Å; D179-G181 PolarHBondContact O-N 3.42Å; G181-L184 WeakPolarHBondContact O-CB 3.16Å; G181-L184 PolarHBondContact O-N 3.24Å; G181-A185 PolarHBondContact O-N 3.45Å; G181-A185 VanDerWaalsContact O-N 3.12Å; G181-G215 CarbonylContact C-O 3.51Å; G181-G215 VanDerWaalsContact CA-O 3.23Å; G181-G215 WeakPolarHBondContact CA-O 3.4Å; G181-G215 CarbonylContact O-C 3.59Å; G181-G215 VanDerWaalsContact O-C 3.22Å; G181-G215 WeakPolarHBondContact O-CA 3.46Å
182F97.4Very high96.3Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-63.3-48.4176.3-165-69.6000111.6M137 L140 F141 W144 G178 D179 L184 A185 M186 A219 L259M137-F182 HydrophobicContact CE-CD1 4.29Å; M137-F182 HydrophobicContact CE-CE1 3.6Å; M137-F182 HydrophobicContact CE-CE2 4.23Å; M137-F182 HydrophobicContact CE-CZ 3.56Å; M137-F182 HydrophobicContact SD-CE1 4.38Å; M137-F182 HydrophobicContact SD-CZ 3.98Å; L140-F182 HydrophobicContact CB-CZ 4.3Å; L140-F182 HydrophobicContact CD2-CE2 3.37Å; L140-F182 HydrophobicContact CD2-CZ 3.46Å; L140-F182 VanDerWaalsContact CD2-CZ 3.46Å; L140-F182 HydrophobicContact CG-CZ 4.42Å; F141-F182 HydrophobicContact CB-CD1 4.39Å; F141-F182 HydrophobicContact CB-CE1 3.76Å; F141-F182 HydrophobicContact CB-CZ 4.16Å; F141-F182 AromaticContact CD2-CD1 3.51Å; F141-F182 HydrophobicContact CD2-CD1 3.51Å; F141-F182 AromaticContact CD2-CE1 3.74Å; F141-F182 HydrophobicContact CD2-CE1 3.74Å; F141-F182 HydrophobicContact CD2-CG 4.03Å; F141-F182 HydrophobicContact CD2-CZ 4.37Å; F141-F182 HydrophobicContact CE2-CD1 4.22Å; F141-F182 HydrophobicContact CG-CD1 4.31Å; F141-F182 HydrophobicContact CG-CE1 4.16Å; W144-F182 HydrophobicContact CD2-CD2 4.12Å; W144-F182 HydrophobicContact CD2-CE2 4.21Å; W144-F182 HydrophobicContact CE3-CD2 4.35Å; W144-F182 HydrophobicContact CE3-CE2 4.17Å; W144-F182 HydrophobicContact CG-CE2 4.5Å; W144-F182 HydrophobicContact CZ2-CD2 4.37Å; G178-F182 PolarHBondContact O-N 2.92Å; G178-F182 VanDerWaalsContact O-N 3.1Å; D179-F182 PolarHBondContact O-N 3.1Å; F182-L184 VanDerWaalsContact C-N 3.3Å; F182-L184 PolarHBondContact O-N 3.44Å; F182-A185 WeakPolarHBondContact O-CB 3.36Å; F182-A185 PolarHBondContact O-N 2.86Å; F182-M186 HydrophobicContact CD1-CG 3.84Å; F182-M186 HydrophobicContact CD1-SD 3.82Å; F182-M186 HydrophobicContact CE1-CG 3.7Å; F182-M186 HydrophobicContact CE1-SD 3.55Å; F182-M186 VanDerWaalsContact CE1-SD 3.55Å; F182-M186 PolarHBondContact O-N 3.27Å; F182-A219 HydrophobicContact CB-CB 3.97Å; F182-A219 HydrophobicContact CD2-CB 4.27Å; F182-L259 HydrophobicContact CD2-CD1 3.58Å; F182-L259 HydrophobicContact CE2-CD1 3.29Å; F182-L259 HydrophobicContact CZ-CD1 4.36Å
183I97.9Very high96Very high72 Ų7248.2 Ų48.237%0.36924%0.241SC..Hα-helixtrans-64-38.9179.3-67.6165.5000110.1F141 D179 A185 M186 I187F141-I183 HydrophobicContact CE2-CD1 4.39Å; F141-I183 HydrophobicContact CE2-CG1 4.07Å; F141-I183 HydrophobicContact CZ-CD1 4.04Å; F141-I183 HydrophobicContact CZ-CG1 4.09Å; D179-I183 WeakPolarHBondContact O-CB 3.42Å; D179-I183 VanDerWaalsContact O-CG1 3.26Å; D179-I183 WeakPolarHBondContact O-CG1 3.41Å; D179-I183 PolarHBondContact O-N 2.94Å; I183-A185 VanDerWaalsContact C-N 3.32Å; I183-A185 PolarHBondContact O-N 3.35Å; I183-M186 WeakPolarHBondContact O-CB 3.49Å; I183-M186 PolarHBondContact O-N 3.46Å; I183-I187 HydrophobicContact CG2-CD1 3.72Å; I183-I187 HydrophobicContact CG2-CG1 4.23Å; I183-I187 VanDerWaalsContact O-CG1 3.32Å; I183-I187 WeakPolarHBondContact O-CG1 3.45Å; I183-I187 PolarHBondContact O-N 3.43Å
184L97.5Very high95.9Very high75 Ų7546.8 Ų46.839%0.39323%0.234SC..Hα-helixtrans-56.3-45.9173.3-17969000111.6I180 G181 F182 I187 W188 V211I180-L184 WeakPolarHBondContact O-CB 3.47Å; I180-L184 PolarHBondContact O-N 2.83Å; G181-L184 WeakPolarHBondContact O-CB 3.16Å; G181-L184 PolarHBondContact O-N 3.24Å; F182-L184 VanDerWaalsContact C-N 3.3Å; F182-L184 PolarHBondContact O-N 3.44Å; L184-I187 PolarHBondContact O-N 2.85Å; L184-W188 WeakPolarHBondContact O-CB 3.31Å; L184-W188 PolarHBondContact O-N 3.3Å; L184-V211 HydrophobicContact CD1-CG1 4.41Å; L184-V211 HydrophobicContact CD2-CG1 4.06Å; L184-V211 HydrophobicContact CG-CG1 4.23Å
185A96.8Very high95.8Very high0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-64-42.3176.400000111.9G181 F182 I183 I187 W188 F189 P212 L216G181-A185 PolarHBondContact O-N 3.45Å; G181-A185 VanDerWaalsContact O-N 3.12Å; F182-A185 WeakPolarHBondContact O-CB 3.36Å; F182-A185 PolarHBondContact O-N 2.86Å; I183-A185 VanDerWaalsContact C-N 3.32Å; I183-A185 PolarHBondContact O-N 3.35Å; A185-I187 PolarHBondContact O-N 3.38Å; A185-W188 PolarHBondContact O-N 2.93Å; A185-F189 HydrophobicContact CB-CD2 4.49Å; A185-F189 HydrophobicContact CB-CE2 4.21Å; A185-F189 WeakPolarHBondContact O-CD2 3.26Å; A185-F189 WeakPolarHBondContact O-CG 3.44Å; A185-F189 PolarHBondContact O-N 2.85Å; A185-P212 HydrophobicContact CB-CB 4.06Å; A185-L216 HydrophobicContact CB-CD2 3.59Å; A185-L216 HydrophobicContact CB-CG 3.93Å
186M96.8Very high95.8Very high15 Ų1549 Ų497%0.07424%0.243CC..Hα-helixtrans-60.4-45176.1-73.9-170.468.400112.9M137 F138 F141 F182 I183 W188 S190 W196M137-M186 HydrophobicContact CB-CE 4.41Å; M137-M186 HydrophobicContact CB-CG 4.17Å; M137-M186 HydrophobicContact CE-CG 4.22Å; F138-M186 HydrophobicContact CB-CE 4.11Å; F138-M186 HydrophobicContact CD2-CE 4.23Å; F141-M186 HydrophobicContact CB-SD 4.15Å; F141-M186 HydrophobicContact CG-SD 4.35Å; F182-M186 HydrophobicContact CD1-CG 3.84Å; F182-M186 HydrophobicContact CD1-SD 3.82Å; F182-M186 HydrophobicContact CE1-CG 3.7Å; F182-M186 HydrophobicContact CE1-SD 3.55Å; F182-M186 VanDerWaalsContact CE1-SD 3.55Å; F182-M186 PolarHBondContact O-N 3.27Å; I183-M186 WeakPolarHBondContact O-CB 3.49Å; I183-M186 PolarHBondContact O-N 3.46Å; M186-W188 VanDerWaalsContact C-N 3.34Å; M186-S190 VanDerWaalsContact O-CB 3.27Å; M186-S190 WeakPolarHBondContact O-CB 3.35Å; M186-S190 PolarHBondContact O-N 3.2Å; M186-W196 HydrophobicContact CE-CD2 4.07Å; M186-W196 HydrophobicContact CE-CE3 4.28Å; M186-W196 HydrophobicContact CE-CZ2 4.29Å; M186-W196 HydrophobicContact CE-CZ3 4.48Å; M186-W196 PolarHBondContact O-NE1 3.37Å
187I96.8Very high95.7Very high88 Ų8844.5 Ų44.545%0.45123%0.227SC..Hα-helixtrans-62.8-45.1178.1-68.4167000109.7I183 L184 A185 S190 L191I183-I187 HydrophobicContact CG2-CD1 3.72Å; I183-I187 HydrophobicContact CG2-CG1 4.23Å; I183-I187 VanDerWaalsContact O-CG1 3.32Å; I183-I187 WeakPolarHBondContact O-CG1 3.45Å; I183-I187 PolarHBondContact O-N 3.43Å; L184-I187 PolarHBondContact O-N 2.85Å; A185-I187 PolarHBondContact O-N 3.38Å; I187-S190 WeakPolarHBondContact O-CB 3.49Å; I187-S190 PolarHBondContact O-N 3.1Å; I187-L191 HydrophobicContact CG2-CD1 3.79Å; I187-L191 HydrophobicContact CG2-CG 4.4Å; I187-L191 WeakPolarHBondContact O-CG 3.39Å; I187-L191 PolarHBondContact O-N 2.96Å
188W95.6Very high95.5Very high44 Ų4441.5 Ų41.517%0.16721%0.212CC..Hα-helixtrans-62.8-47.2-179.3-169.696.7000112.2L184 A185 M186 S190 L191 N192 N209 P212L184-W188 WeakPolarHBondContact O-CB 3.31Å; L184-W188 PolarHBondContact O-N 3.3Å; A185-W188 PolarHBondContact O-N 2.93Å; M186-W188 VanDerWaalsContact C-N 3.34Å; W188-S190 VanDerWaalsContact C-N 3.31Å; W188-S190 PolarHBondContact O-N 2.98Å; W188-L191 PolarHBondContact O-N 2.98Å; W188-N192 HydrophobicContact CH2-CB 4.43Å; W188-N192 WeakPolarHBondContact CH2-ND2 3.46Å; W188-N192 WeakPolarHBondContact CZ2-ND2 3.35Å; W188-N192 HydrophobicContact CZ3-CB 4.38Å; W188-N192 PolarHBondContact NE1-ND2 2.9Å; W188-N192 PolarHBondContact O-N 3.46Å; W188-N192 VanDerWaalsContact O-N 3.11Å; W188-N209 HydrophobicContact CH2-CB 4.44Å; W188-N209 WeakPolarHBondContact CH2-OD1 3.16Å; W188-P212 HydrophobicContact CB-CB 4.29Å; W188-P212 HydrophobicContact CD2-CB 4.09Å; W188-P212 HydrophobicContact CD2-CG 3.6Å; W188-P212 HydrophobicContact CE3-CB 3.94Å; W188-P212 HydrophobicContact CE3-CG 3.48Å; W188-P212 VanDerWaalsContact CE3-CG 3.48Å; W188-P212 HydrophobicContact CG-CB 4.26Å; W188-P212 HydrophobicContact CG-CG 4.16Å; W188-P212 HydrophobicContact CH2-CG 4.3Å; W188-P212 HydrophobicContact CZ2-CG 4.35Å; W188-P212 HydrophobicContact CZ3-CG 3.86Å
189F95Very high95.4Very high0 Ų044.9 Ų44.90%023%0.228CC..Hα-helixtrans-64.8-37.3176.2-68.2-51.7000111.9A185 L191 M193 I201 P212 F263 L266A185-F189 HydrophobicContact CB-CD2 4.49Å; A185-F189 HydrophobicContact CB-CE2 4.21Å; A185-F189 WeakPolarHBondContact O-CD2 3.26Å; A185-F189 WeakPolarHBondContact O-CG 3.44Å; A185-F189 PolarHBondContact O-N 2.85Å; F189-L191 VanDerWaalsContact C-N 3.34Å; F189-L191 PolarHBondContact O-N 3.42Å; F189-M193 WeakPolarHBondContact O-CA 3.26Å; F189-M193 WeakPolarHBondContact O-CB 3.4Å; F189-M193 PolarHBondContact O-N 2.94Å; F189-I201 HydrophobicContact CB-CD1 4.24Å; F189-I201 HydrophobicContact CB-CG1 4.27Å; F189-I201 HydrophobicContact CD1-CD1 4.43Å; F189-I201 HydrophobicContact CD1-CG1 4.04Å; F189-I201 HydrophobicContact CD1-CG2 3.81Å; F189-I201 HydrophobicContact CD2-CD1 3.97Å; F189-I201 HydrophobicContact CD2-CG1 4.46Å; F189-I201 HydrophobicContact CE1-CG2 3.47Å; F189-I201 VanDerWaalsContact CE1-CG2 3.47Å; F189-I201 HydrophobicContact CE2-CD1 4.45Å; F189-I201 HydrophobicContact CE2-CG2 4.25Å; F189-I201 HydrophobicContact CG-CD1 3.97Å; F189-I201 HydrophobicContact CG-CG1 4.02Å; F189-I201 HydrophobicContact CG-CG2 4.37Å; F189-I201 HydrophobicContact CZ-CG2 3.72Å; F189-P212 HydrophobicContact CE1-CB 4.09Å; F189-P212 HydrophobicContact CE1-CG 4.14Å; F189-P212 HydrophobicContact CE2-CB 3.94Å; F189-P212 HydrophobicContact CZ-CB 3.65Å; F189-P212 HydrophobicContact CZ-CG 4.08Å; F189-F263 HydrophobicContact CE2-CE1 4.25Å; F189-F263 HydrophobicContact CZ-CE1 4.47Å; F189-L266 HydrophobicContact CE1-CD1 4.26Å; F189-L266 HydrophobicContact CZ-CD1 3.87Å
190S94.9Very high95.2Very high30 Ų3048.8 Ų48.821%0.2125%0.246CC..Hα-helixtrans-58.5-46.1175.1-168.90000112.2M74 M186 I187 W188 N194M74-S190 VanDerWaalsContact CE-O 3.29Å; M74-S190 WeakPolarHBondContact CE-O 3.47Å; M74-S190 WeakPolarHBondContact CE-OG 3.32Å; M186-S190 VanDerWaalsContact O-CB 3.27Å; M186-S190 WeakPolarHBondContact O-CB 3.35Å; M186-S190 PolarHBondContact O-N 3.2Å; I187-S190 WeakPolarHBondContact O-CB 3.49Å; I187-S190 PolarHBondContact O-N 3.1Å; W188-S190 VanDerWaalsContact C-N 3.31Å; W188-S190 PolarHBondContact O-N 2.98Å; S190-N194 VanDerWaalsContact O-CA 3.26Å; S190-N194 WeakPolarHBondContact O-CA 3.34Å; S190-N194 PolarHBondContact O-N 3.45Å
191L94.2Very high95Very high136 Ų13643 Ų4371%0.71222%0.216SC*.Hα-helixtrans-73.4-41.2-174.2-71.5169.6000111.9I187 W188 F189I187-L191 HydrophobicContact CG2-CD1 3.79Å; I187-L191 HydrophobicContact CG2-CG 4.4Å; I187-L191 WeakPolarHBondContact O-CG 3.39Å; I187-L191 PolarHBondContact O-N 2.96Å; W188-L191 PolarHBondContact O-N 2.98Å; F189-L191 VanDerWaalsContact C-N 3.34Å; F189-L191 PolarHBondContact O-N 3.42Å
192N92.9Very high94.7Very high89 Ų8944.6 Ų44.648%0.47622%0.224SC..Hα-helixtrans-91.5-34.9-171.6-66.6-19.1000113.7W188W188-N192 HydrophobicContact CH2-CB 4.43Å; W188-N192 WeakPolarHBondContact CH2-ND2 3.46Å; W188-N192 WeakPolarHBondContact CZ2-ND2 3.35Å; W188-N192 HydrophobicContact CZ3-CB 4.38Å; W188-N192 PolarHBondContact NE1-ND2 2.9Å; W188-N192 PolarHBondContact O-N 3.46Å; W188-N192 VanDerWaalsContact O-N 3.11Å
193M91.1Very high94.2Very high31 Ų3151.2 Ų51.215%0.15326%0.259CS..Hα-helixtrans-108.7-2.9-175.6-63.7-68.7151.500112.8F189 S195 Q200F189-M193 WeakPolarHBondContact O-CA 3.26Å; F189-M193 WeakPolarHBondContact O-CB 3.4Å; F189-M193 PolarHBondContact O-N 2.94Å; M193-S195 PolarHBondContact O-N 2.98Å; M193-S195 PolarHBondContact O-OG 3.09Å; M193-Q200 PolarHBondContact O-NE2 2.92Å
194N94.1Very high93.5Very high72 Ų7247.9 Ų47.939%0.38524%0.242SC..SBendtrans48.731.2-176.3-163.952.4000113.8S73 M74 S190S73-N194 WeakPolarHBondContact CB-ND2 3.49Å; S73-N194 PolarHBondContact OG-ND2 3.23Å; M74-N194 VanDerWaalsContact CE-CA 3.47Å; M74-N194 HydrophobicContact CE-CB 4.35Å; M74-N194 WeakPolarHBondContact CE-OD1 3.46Å; M74-N194 WeakPolarHBondContact CG-O 3.2Å; S190-N194 VanDerWaalsContact O-CA 3.26Å; S190-N194 WeakPolarHBondContact O-CA 3.34Å; S190-N194 PolarHBondContact O-N 3.45Å
195S93.7Very high92.5Very high8 Ų846.6 Ų46.66%0.05624%0.235CC..  trans-158.9157.3-174.358.20000112.2M193 Q200M193-S195 PolarHBondContact O-N 2.98Å; M193-S195 PolarHBondContact O-OG 3.09Å; S195-Q200 VanDerWaalsContact CB-CD 3.42Å; S195-Q200 WeakPolarHBondContact OG-CB 3.15Å; S195-Q200 WeakPolarHBondContact OG-CG 3.45Å; S195-Q200 PolarHBondContact OG-OE1 3.45Å; S195-Q200 VanDerWaalsContact OG-OE1 3.08Å
196W94.9Very high91.2Very high54 Ų5453.9 Ų53.921%0.20527%0.274CS..  trans-116.75.1175-68.5-22.7000113.3L76 M137 F138 M186L76-W196 HydrophobicContact CD1-CZ3 3.92Å; L76-W196 HydrophobicContact CD2-CD2 4.41Å; L76-W196 HydrophobicContact CD2-CE3 3.29Å; L76-W196 HydrophobicContact CD2-CZ3 3.37Å; L76-W196 HydrophobicContact CG-CZ3 4.28Å; M137-W196 HydrophobicContact CB-CB 4.22Å; M137-W196 PolarHBondContact N-O 3.16Å; F138-W196 HydrophobicContact CB-CE3 3.75Å; F138-W196 HydrophobicContact CB-CZ3 3.98Å; F138-W196 HydrophobicContact CD2-CZ3 4.1Å; F138-W196 HydrophobicContact CG-CE3 4.49Å; F138-W196 HydrophobicContact CG-CZ3 4.23Å; M186-W196 HydrophobicContact CE-CD2 4.07Å; M186-W196 HydrophobicContact CE-CE3 4.28Å; M186-W196 HydrophobicContact CE-CZ2 4.29Å; M186-W196 HydrophobicContact CE-CZ3 4.48Å; M186-W196 PolarHBondContact O-NE1 3.37Å
197E95.6Very high90.1Very high30 Ų3057.6 Ų57.614%0.1429%0.294CS..BIsolated β-bridgetrans-83.1135.2-179.3-40.6-151.3152.900110K77 N136 Q199 Q200 I201K77-E197 WeakPolarHBondContact CE-OE1 3.45Å; K77-E197 WeakPolarHBondContact CE-OE2 3.35Å; K77-E197 IonicContact NZ-OE1 2.99Å; K77-E197 PolarHBondContact NZ-OE1 3.46Å; K77-E197 IonicContact NZ-OE2 2.72Å; K77-E197 PolarHBondContact NZ-OE2 2.95Å; N136-E197 VanDerWaalsContact OD1-CG 3.28Å; N136-E197 WeakPolarHBondContact OD1-CG 3.23Å; E197-Q199 PolarHBondContact O-N 3.39Å; E197-Q200 PolarHBondContact O-N 3.23Å; E197-I201 WeakPolarHBondContact O-CG1 3.41Å; E197-I201 PolarHBondContact O-N 2.99Å; E197-I201 VanDerWaalsContact O-N 3.12Å
198L94.1Very high89.5Confident2 Ų259.4 Ų59.41%0.0131%0.305CS..Hα-helixtrans-56.5-35.5-179.5-71.8170000112.4K81 N135 Q200 I201 M202 F263K81-L198 HydrophobicContact CD-CD1 4.17Å; N135-L198 VanDerWaalsContact O-CG 3.28Å; N135-L198 WeakPolarHBondContact O-CG 3.38Å; N135-L198 PolarHBondContact O-N 3.1Å; L198-Q200 PolarHBondContact O-N 2.8Å; L198-I201 PolarHBondContact O-N 3.17Å; L198-M202 HydrophobicContact CD2-CE 4.44Å; L198-M202 VanDerWaalsContact O-CG 3.26Å; L198-M202 WeakPolarHBondContact O-CG 3.5Å; L198-M202 PolarHBondContact O-N 2.97Å; L198-F263 HydrophobicContact CD2-CD1 4.13Å; L198-F263 HydrophobicContact CD2-CE1 3.36Å; L198-F263 HydrophobicContact CD2-CE2 4.02Å; L198-F263 HydrophobicContact CD2-CZ 3.29Å
199Q93.2Very high89.3Confident71 Ų7157.6 Ų57.633%0.33230%0.298SS..Hα-helixtrans-57.7-49.4-179.2-66.274.411.600111.7M62 N135 E197 M202M62-Q199 HydrophobicContact SD-CG 4.3Å; M62-Q199 PolarHBondContact SD-NE2 2.96Å; N135-Q199 PolarHBondContact ND2-NE2 3.22Å; N135-Q199 PolarHBondContact ND2-OE1 2.88Å; N135-Q199 VanDerWaalsContact OD1-CD 3.31Å; N135-Q199 PolarHBondContact OD1-NE2 3.4Å; N135-Q199 PolarHBondContact OD1-OE1 3.43Å; N135-Q199 VanDerWaalsContact OD1-OE1 3.06Å; E197-Q199 PolarHBondContact O-N 3.39Å; Q199-M202 PolarHBondContact O-N 3.5Å
200Q92.6Very high89.3Confident85 Ų8560.1 Ų60.140%0.39731%0.312SS..Hα-helixtrans-73.7-35-178.3-169.8167.6-6.200111.1M193 S195 E197 L198 M202 L203M193-Q200 PolarHBondContact O-NE2 2.92Å; S195-Q200 VanDerWaalsContact CB-CD 3.42Å; S195-Q200 WeakPolarHBondContact OG-CB 3.15Å; S195-Q200 WeakPolarHBondContact OG-CG 3.45Å; S195-Q200 PolarHBondContact OG-OE1 3.45Å; S195-Q200 VanDerWaalsContact OG-OE1 3.08Å; E197-Q200 PolarHBondContact O-N 3.23Å; L198-Q200 PolarHBondContact O-N 2.8Å; Q200-M202 VanDerWaalsContact C-N 3.31Å; Q200-M202 PolarHBondContact O-N 3.49Å; Q200-L203 WeakPolarHBondContact O-CB 3.43Å; Q200-L203 PolarHBondContact O-N 3.03Å; Q200-L203 VanDerWaalsContact O-N 3.16Å
201I93.6Very high89.3Confident0 Ų061.9 Ų61.90%032%0.321CS..Hα-helixtrans-61-40.1172.6-65.7166.3000111M137 F189 E197 L198 L203 S204 F263 L266M137-I201 HydrophobicContact CG-CD1 4.16Å; F189-I201 HydrophobicContact CB-CD1 4.24Å; F189-I201 HydrophobicContact CB-CG1 4.27Å; F189-I201 HydrophobicContact CD1-CD1 4.43Å; F189-I201 HydrophobicContact CD1-CG1 4.04Å; F189-I201 HydrophobicContact CD1-CG2 3.81Å; F189-I201 HydrophobicContact CD2-CD1 3.97Å; F189-I201 HydrophobicContact CD2-CG1 4.46Å; F189-I201 HydrophobicContact CE1-CG2 3.47Å; F189-I201 VanDerWaalsContact CE1-CG2 3.47Å; F189-I201 HydrophobicContact CE2-CD1 4.45Å; F189-I201 HydrophobicContact CE2-CG2 4.25Å; F189-I201 HydrophobicContact CG-CD1 3.97Å; F189-I201 HydrophobicContact CG-CG1 4.02Å; F189-I201 HydrophobicContact CG-CG2 4.37Å; F189-I201 HydrophobicContact CZ-CG2 3.72Å; E197-I201 WeakPolarHBondContact O-CG1 3.41Å; E197-I201 PolarHBondContact O-N 2.99Å; E197-I201 VanDerWaalsContact O-N 3.12Å; L198-I201 PolarHBondContact O-N 3.17Å; I201-L203 PolarHBondContact O-N 3.37Å; I201-S204 VanDerWaalsContact O-CB 3.24Å; I201-S204 WeakPolarHBondContact O-CB 3.23Å; I201-S204 PolarHBondContact O-N 3.36Å; I201-S204 PolarHBondContact O-OG 2.95Å; I201-F263 HydrophobicContact CD1-CE1 4.41Å; I201-F263 HydrophobicContact CG2-CD1 4.48Å; I201-F263 HydrophobicContact CG2-CE1 3.98Å; I201-L266 HydrophobicContact CG2-CD1 3.8Å
202M89.4Confident89.3Confident34 Ų3455.4 Ų55.417%0.16729%0.287CS..Hα-helixtrans-65.4-19.5178.2-66.6-48.1169.600113.7L198 Q199 Q200 S204 N205 R262 F263 P265 L266L198-M202 HydrophobicContact CD2-CE 4.44Å; L198-M202 VanDerWaalsContact O-CG 3.26Å; L198-M202 WeakPolarHBondContact O-CG 3.5Å; L198-M202 PolarHBondContact O-N 2.97Å; Q199-M202 PolarHBondContact O-N 3.5Å; Q200-M202 VanDerWaalsContact C-N 3.31Å; Q200-M202 PolarHBondContact O-N 3.49Å; M202-S204 PolarHBondContact O-N 3.4Å; M202-N205 PolarHBondContact O-ND2 2.96Å; M202-N205 PolarHBondContact O-OD1 3.44Å; M202-R262 WeakPolarHBondContact CE-O 3.3Å; M202-F263 HydrophobicContact CE-CD1 4.37Å; M202-P265 HydrophobicContact CE-CG 4.04Å; M202-P265 HydrophobicContact SD-CB 3.75Å; M202-P265 HydrophobicContact SD-CG 3.61Å; M202-L266 HydrophobicContact SD-CG 4.36Å
203L88.2Confident89.5Confident140 Ų14051.2 Ų51.273%0.73327%0.265SS*.G310 helixtrans-70.8-17.5172.9-61.5172.7000112.2Q200 I201 N205Q200-L203 WeakPolarHBondContact O-CB 3.43Å; Q200-L203 PolarHBondContact O-N 3.03Å; Q200-L203 VanDerWaalsContact O-N 3.16Å; I201-L203 PolarHBondContact O-N 3.37Å; L203-N205 PolarHBondContact O-N 3.5Å
204S82.3Confident89.8Confident2 Ų252.5 Ų52.51%0.01427%0.272CS..G310 helixtrans-76.56.4-179.774.20000115.1I201 M202 N206 N207 N209 L266I201-S204 VanDerWaalsContact O-CB 3.24Å; I201-S204 WeakPolarHBondContact O-CB 3.23Å; I201-S204 PolarHBondContact O-N 3.36Å; I201-S204 PolarHBondContact O-OG 2.95Å; M202-S204 PolarHBondContact O-N 3.4Å; S204-N206 PolarHBondContact O-N 3.01Å; S204-N207 PolarHBondContact O-N 3.08Å; S204-N209 PolarHBondContact O-ND2 3.02Å; S204-N209 PolarHBondContact OG-ND2 2.92Å; S204-L266 WeakPolarHBondContact OG-CD2 3.14Å
205N77.2Confident89.9Confident47 Ų4749 Ų4925%0.25125%0.253SS..G310 helixtrans-54.6-20.1-173-77.2-6.4000115.3M202 L203 L266 N269M202-N205 PolarHBondContact O-ND2 2.96Å; M202-N205 PolarHBondContact O-OD1 3.44Å; L203-N205 PolarHBondContact O-N 3.5Å; N205-L266 VanDerWaalsContact OD1-CD2 3.26Å; N205-L266 WeakPolarHBondContact OD1-CD2 3.26Å; N205-N269 PolarHBondContact O-ND2 3.45Å
206N70Confident90.1Very high153 Ų15348.7 Ų48.782%0.81825%0.251SS*.G310 helixtrans-93.8-10.2-178.1-63.1-7.6000114.1S204S204-N206 PolarHBondContact O-N 3.01Å
207N73.3Confident90.2Very high93 Ų9346.8 Ų46.850%0.49724%0.244SC..SBendtrans-89.7157179.3-70.7-1.6000111S204 N209S204-N207 PolarHBondContact O-N 3.08Å; N207-N209 VanDerWaalsContact C-N 3.33Å; N207-N209 VanDerWaalsContact O-CG 3.3Å; N207-N209 PolarHBondContact O-N 2.99Å; N207-N209 PolarHBondContact O-ND2 3.11Å; N207-N209 PolarHBondContact O-OD1 2.78Å
208D84Confident90.3Very high126 Ų12648.8 Ų48.867%0.67426%0.255SS*.  trans-71.289.4173.9-168.54.4000110.8L210D208-L210 PolarHBondContact O-N 2.93Å; D208-L210 WeakPolarHBondContact OD1-CB 3.37Å; D208-L210 PolarHBondContact OD1-N 3.12Å
209N90.6Very high90.5Very high6 Ų648.7 Ų48.73%0.03226%0.255CS..  trans-89.627.4-176.8-58.7-29.1000112.3W188 S204 N207 V211 P212 L213 L266W188-N209 HydrophobicContact CH2-CB 4.44Å; W188-N209 WeakPolarHBondContact CH2-OD1 3.16Å; S204-N209 PolarHBondContact O-ND2 3.02Å; S204-N209 PolarHBondContact OG-ND2 2.92Å; N207-N209 VanDerWaalsContact C-N 3.33Å; N207-N209 VanDerWaalsContact O-CG 3.3Å; N207-N209 PolarHBondContact O-N 2.99Å; N207-N209 PolarHBondContact O-ND2 3.11Å; N207-N209 PolarHBondContact O-OD1 2.78Å; N209-V211 PolarHBondContact O-N 3.23Å; N209-P212 HydrophobicContact CB-CG 4.07Å; N209-P212 VanDerWaalsContact O-CD 3.23Å; N209-P212 WeakPolarHBondContact O-CD 3.42Å; N209-P212 WeakPolarHBondContact O-CG 3.32Å; N209-L213 HydrophobicContact CB-CD1 4.39Å; N209-L213 WeakPolarHBondContact O-CB 3.47Å; N209-L213 WeakPolarHBondContact O-CD1 3.46Å; N209-L213 WeakPolarHBondContact O-CG 3.5Å; N209-L213 PolarHBondContact O-N 3.28Å; N209-L266 WeakPolarHBondContact ND2-CD2 3.31Å
210L94.7Very high90.6Very high54 Ų5445.3 Ų45.328%0.28324%0.239SC..Hα-helixtrans-62.6-45.4-174.8-175.4149.8000113D208 L213 L214 F272D208-L210 PolarHBondContact O-N 2.93Å; D208-L210 WeakPolarHBondContact OD1-CB 3.37Å; D208-L210 PolarHBondContact OD1-N 3.12Å; L210-L213 PolarHBondContact O-N 3.23Å; L210-L214 HydrophobicContact CD2-CD1 3.45Å; L210-L214 VanDerWaalsContact CD2-CD1 3.45Å; L210-L214 HydrophobicContact CD2-CG 4.03Å; L210-L214 HydrophobicContact CG-CD1 4.42Å; L210-L214 WeakPolarHBondContact O-CG 3.12Å; L210-L214 PolarHBondContact O-N 2.96Å; L210-F272 HydrophobicContact CD1-CD1 4.06Å
211V95.1Very high90.8Very high66 Ų6641.9 Ų41.940%0.422%0.224SC..Hα-helixtrans-60.6-52.4-178.71790000113L184 N209 L213 L214 G215L184-V211 HydrophobicContact CD1-CG1 4.41Å; L184-V211 HydrophobicContact CD2-CG1 4.06Å; L184-V211 HydrophobicContact CG-CG1 4.23Å; N209-V211 PolarHBondContact O-N 3.23Å; V211-L213 VanDerWaalsContact C-N 3.31Å; V211-L213 PolarHBondContact O-N 3.38Å; V211-L214 PolarHBondContact O-N 3.46Å; V211-G215 PolarHBondContact O-N 3.28Å
212P95.7Very high90.9Very high0 Ų041.9 Ų41.90%022%0.224CC..Hα-helixtrans-64.4-37.4178.227.6-37.4000111.3A185 W188 F189 N209 L214 G215 L216A185-P212 HydrophobicContact CB-CB 4.06Å; W188-P212 HydrophobicContact CB-CB 4.29Å; W188-P212 HydrophobicContact CD2-CB 4.09Å; W188-P212 HydrophobicContact CD2-CG 3.6Å; W188-P212 HydrophobicContact CE3-CB 3.94Å; W188-P212 HydrophobicContact CE3-CG 3.48Å; W188-P212 VanDerWaalsContact CE3-CG 3.48Å; W188-P212 HydrophobicContact CG-CB 4.26Å; W188-P212 HydrophobicContact CG-CG 4.16Å; W188-P212 HydrophobicContact CH2-CG 4.3Å; W188-P212 HydrophobicContact CZ2-CG 4.35Å; W188-P212 HydrophobicContact CZ3-CG 3.86Å; F189-P212 HydrophobicContact CE1-CB 4.09Å; F189-P212 HydrophobicContact CE1-CG 4.14Å; F189-P212 HydrophobicContact CE2-CB 3.94Å; F189-P212 HydrophobicContact CZ-CB 3.65Å; F189-P212 HydrophobicContact CZ-CG 4.08Å; N209-P212 HydrophobicContact CB-CG 4.07Å; N209-P212 VanDerWaalsContact O-CD 3.23Å; N209-P212 WeakPolarHBondContact O-CD 3.42Å; N209-P212 WeakPolarHBondContact O-CG 3.32Å; P212-L214 PolarHBondContact O-N 3.34Å; P212-G215 CarbonylContact O-C 3.46Å; P212-G215 WeakPolarHBondContact O-CA 3.26Å; P212-G215 PolarHBondContact O-N 2.78Å; P212-G215 VanDerWaalsContact O-N 3.13Å; P212-L216 WeakPolarHBondContact O-CG 3.49Å; P212-L216 PolarHBondContact O-N 3.21Å
213L96.1Very high91.1Very high2 Ų240.3 Ų40.31%0.0122%0.216CC..Hα-helixtrans-65-38.3177-70.8175.6000112.7N209 L210 V211 G215 L216 L217 L266 T267 N270 I273N209-L213 HydrophobicContact CB-CD1 4.39Å; N209-L213 WeakPolarHBondContact O-CB 3.47Å; N209-L213 WeakPolarHBondContact O-CD1 3.46Å; N209-L213 WeakPolarHBondContact O-CG 3.5Å; N209-L213 PolarHBondContact O-N 3.28Å; L210-L213 PolarHBondContact O-N 3.23Å; V211-L213 VanDerWaalsContact C-N 3.31Å; V211-L213 PolarHBondContact O-N 3.38Å; L213-G215 VanDerWaalsContact C-N 3.34Å; L213-L216 PolarHBondContact O-N 3.5Å; L213-L217 WeakPolarHBondContact O-CB 3.36Å; L213-L217 PolarHBondContact O-N 3.46Å; L213-L266 HydrophobicContact CD1-CB 4.49Å; L213-L266 HydrophobicContact CD2-CB 3.92Å; L213-T267 HydrophobicContact CD2-CG2 3.82Å; L213-N270 HydrophobicContact CD1-CB 3.88Å; L213-I273 HydrophobicContact CB-CD1 3.78Å; L213-I273 HydrophobicContact CB-CG1 3.72Å; L213-I273 HydrophobicContact CB-CG2 4.39Å; L213-I273 HydrophobicContact CD1-CG1 4.01Å
214L96.7Very high91.4Very high57 Ų5733.7 Ų33.730%0.29818%0.181SC..Hα-helixtrans-63.8-39.6170.4-78.8-178.2000112L210 V211 P212 L217 I218 F272 I273L210-L214 HydrophobicContact CD2-CD1 3.45Å; L210-L214 VanDerWaalsContact CD2-CD1 3.45Å; L210-L214 HydrophobicContact CD2-CG 4.03Å; L210-L214 HydrophobicContact CG-CD1 4.42Å; L210-L214 WeakPolarHBondContact O-CG 3.12Å; L210-L214 PolarHBondContact O-N 2.96Å; V211-L214 PolarHBondContact O-N 3.46Å; P212-L214 PolarHBondContact O-N 3.34Å; L214-L217 HydrophobicContact CD2-CD2 4.24Å; L214-L217 WeakPolarHBondContact O-CB 3.18Å; L214-L217 PolarHBondContact O-N 3.07Å; L214-I218 WeakPolarHBondContact O-CG1 3.3Å; L214-I218 PolarHBondContact O-N 3.24Å; L214-F272 HydrophobicContact CD2-CE1 4.13Å; L214-I273 HydrophobicContact CD2-CD1 3.72Å; L214-I273 HydrophobicContact CG-CD1 3.93Å
215G97.1Very high91.9Very high0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-59.4-47.517300000112.3G181 V211 P212 L213 L217 I218 A219G181-G215 CarbonylContact C-O 3.51Å; G181-G215 VanDerWaalsContact CA-O 3.23Å; G181-G215 WeakPolarHBondContact CA-O 3.4Å; G181-G215 CarbonylContact O-C 3.59Å; G181-G215 VanDerWaalsContact O-C 3.22Å; G181-G215 WeakPolarHBondContact O-CA 3.46Å; V211-G215 PolarHBondContact O-N 3.28Å; P212-G215 CarbonylContact O-C 3.46Å; P212-G215 WeakPolarHBondContact O-CA 3.26Å; P212-G215 PolarHBondContact O-N 2.78Å; P212-G215 VanDerWaalsContact O-N 3.13Å; L213-G215 VanDerWaalsContact C-N 3.34Å; G215-L217 VanDerWaalsContact C-N 3.32Å; G215-L217 PolarHBondContact O-N 2.96Å; G215-I218 PolarHBondContact O-N 3.47Å; G215-A219 PolarHBondContact O-N 2.87Å
216L97.3Very high92.9Very high0 Ų031.3 Ų31.30%017%0.169CC..Hα-helixtrans-64.4-36175.8-64.9-175.7000112.2M137 A185 P212 L213 A219 A220 L259 L260 F263M137-L216 HydrophobicContact CE-CD2 4.08Å; A185-L216 HydrophobicContact CB-CD2 3.59Å; A185-L216 HydrophobicContact CB-CG 3.93Å; P212-L216 WeakPolarHBondContact O-CG 3.49Å; P212-L216 PolarHBondContact O-N 3.21Å; L213-L216 PolarHBondContact O-N 3.5Å; L216-A219 PolarHBondContact O-N 3.29Å; L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 3.23Å; L216-L259 HydrophobicContact CB-CD2 3.76Å; L216-L259 HydrophobicContact CD1-CD2 4.01Å; L216-L259 HydrophobicContact CD2-CD1 4.29Å; L216-L259 HydrophobicContact CD2-CD2 3.61Å; L216-L259 HydrophobicContact CD2-CG 4.47Å; L216-L259 HydrophobicContact CG-CD2 3.95Å; L216-L260 HydrophobicContact CB-CD2 4.13Å; L216-F263 HydrophobicContact CD1-CB 3.93Å; L216-F263 HydrophobicContact CD1-CD1 4.08Å; L216-F263 HydrophobicContact CD1-CD2 3.5Å; L216-F263 VanDerWaalsContact CD1-CD2 3.5Å; L216-F263 HydrophobicContact CD1-CE1 4.47Å; L216-F263 HydrophobicContact CD1-CE2 3.97Å; L216-F263 HydrophobicContact CD1-CG 3.55Å; L216-F263 HydrophobicContact CD1-CZ 4.42Å; L216-F263 HydrophobicContact CD2-CE2 4.47Å
217L97.6Very high94.1Very high14 Ų1428 Ų287%0.07315%0.147CC..Hα-helixtrans-61.5-48.4173.3-177.264.9000110.7L213 L214 G215 A219 A220 T221 M277 M314L213-L217 WeakPolarHBondContact O-CB 3.36Å; L213-L217 PolarHBondContact O-N 3.46Å; L214-L217 HydrophobicContact CD2-CD2 4.24Å; L214-L217 WeakPolarHBondContact O-CB 3.18Å; L214-L217 PolarHBondContact O-N 3.07Å; G215-L217 VanDerWaalsContact C-N 3.32Å; G215-L217 PolarHBondContact O-N 2.96Å; L217-A219 VanDerWaalsContact C-N 3.33Å; L217-A219 PolarHBondContact O-N 3.45Å; L217-A220 PolarHBondContact O-N 3.01Å; L217-T221 HydrophobicContact CG-CG2 4.48Å; L217-T221 WeakPolarHBondContact O-CG2 3.47Å; L217-T221 PolarHBondContact O-N 3.36Å; L217-M277 HydrophobicContact CD1-CG 3.7Å; L217-M314 HydrophobicContact CD1-CE 3.14Å
218I97.5Very high95.2Very high72 Ų7224.9 Ų24.937%0.36914%0.137SC..Hα-helixtrans-60.1-44.4176-67.5165.4000110.5L214 G215 A220 T221 G222L214-I218 WeakPolarHBondContact O-CG1 3.3Å; L214-I218 PolarHBondContact O-N 3.24Å; G215-I218 PolarHBondContact O-N 3.47Å; I218-A220 VanDerWaalsContact C-N 3.34Å; I218-A220 PolarHBondContact O-N 3.22Å; I218-T221 WeakPolarHBondContact CA-OG1 3.48Å; I218-T221 PolarHBondContact O-N 3.14Å; I218-T221 PolarHBondContact O-OG1 3.07Å; I218-G222 PolarHBondContact O-N 3.29Å; I218-G222 VanDerWaalsContact O-N 3.1Å
219A97.3Very high95.8Very high0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-57.7-46.917600000111.9W144 G178 F182 G215 L216 L217 T221 G222 K223W144-A219 HydrophobicContact CH2-CB 4.06Å; W144-A219 WeakPolarHBondContact CH2-O 3.33Å; W144-A219 HydrophobicContact CZ2-CB 3.81Å; W144-A219 WeakPolarHBondContact CZ2-O 3.49Å; G178-A219 VanDerWaalsContact O-CA 3.31Å; G178-A219 WeakPolarHBondContact O-CA 3.48Å; G178-A219 WeakPolarHBondContact O-CB 3.34Å; F182-A219 HydrophobicContact CB-CB 3.97Å; F182-A219 HydrophobicContact CD2-CB 4.27Å; G215-A219 PolarHBondContact O-N 2.87Å; L216-A219 PolarHBondContact O-N 3.29Å; L217-A219 VanDerWaalsContact C-N 3.33Å; L217-A219 PolarHBondContact O-N 3.45Å; A219-T221 PolarHBondContact O-N 3.33Å; A219-G222 PolarHBondContact O-N 3.4Å; A219-K223 PolarHBondContact O-N 2.88Å
220A96.8Very high96Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-63.5-40.9176.300000112.1L216 L217 I218 G222 S224 G256 L260L216-A220 WeakPolarHBondContact O-CB 3.41Å; L216-A220 PolarHBondContact O-N 3.23Å; L217-A220 PolarHBondContact O-N 3.01Å; I218-A220 VanDerWaalsContact C-N 3.34Å; I218-A220 PolarHBondContact O-N 3.22Å; A220-G222 VanDerWaalsContact C-N 3.33Å; A220-G222 PolarHBondContact O-N 3.19Å; A220-S224 VanDerWaalsContact O-CB 3.3Å; A220-S224 WeakPolarHBondContact O-CB 3.47Å; A220-S224 PolarHBondContact O-N 3.35Å; A220-S224 PolarHBondContact O-OG 3.49Å; A220-G256 WeakPolarHBondContact CB-O 3.35Å; A220-L260 HydrophobicContact CB-CD1 3.45Å; A220-L260 VanDerWaalsContact CB-CD1 3.45Å; A220-L260 HydrophobicContact CB-CD2 4.44Å; A220-L260 HydrophobicContact CB-CG 3.8Å
221T96.9Very high96.1Very high13 Ų1317.6 Ų17.68%0.0810%0.098CC..Hα-helixtrans-61.3-39.8179.362.50000112.7L217 I218 A219 A225 Q226 L280L217-T221 HydrophobicContact CG-CG2 4.48Å; L217-T221 WeakPolarHBondContact O-CG2 3.47Å; L217-T221 PolarHBondContact O-N 3.36Å; I218-T221 WeakPolarHBondContact CA-OG1 3.48Å; I218-T221 PolarHBondContact O-N 3.14Å; I218-T221 PolarHBondContact O-OG1 3.07Å; A219-T221 PolarHBondContact O-N 3.33Å; T221-A225 PolarHBondContact O-N 3.03Å; T221-Q226 HydrophobicContact CG2-CB 4.21Å; T221-Q226 HydrophobicContact CG2-CG 4.46Å; T221-Q226 PolarHBondContact O-N 3.49Å; T221-L280 HydrophobicContact CG2-CD1 3.63Å; T221-L280 HydrophobicContact CG2-CD2 3.99Å; T221-L280 HydrophobicContact CG2-CG 4.47Å
222G95.1Very high96.1Very high0 Ų014.4 Ų14.40%08%0.079CC..Hα-helixtrans-66.4-59.7177.600000112I218 A219 A220 S224 A225 W232I218-G222 PolarHBondContact O-N 3.29Å; I218-G222 VanDerWaalsContact O-N 3.1Å; A219-G222 PolarHBondContact O-N 3.4Å; A220-G222 VanDerWaalsContact C-N 3.33Å; A220-G222 PolarHBondContact O-N 3.19Å; G222-S224 PolarHBondContact O-N 2.89Å; G222-A225 PolarHBondContact O-N 3.1Å; G222-W232 PolarHBondContact O-NE1 3.41Å
223K94.3Very high96Very high2 Ų214.5 Ų14.51%0.0098%0.079CC..Hα-helixtrans-68.5-32.1-176.6-74.5-70.4176.2170.50113.8W144 N175 A219 A225 W232 V253W144-K223 HydrophobicContact CD2-CG 4.13Å; W144-K223 VanDerWaalsContact CE2-CG 3.44Å; W144-K223 HydrophobicContact CE3-CG 4.42Å; W144-K223 HydrophobicContact CH2-CB 3.83Å; W144-K223 HydrophobicContact CH2-CG 3.47Å; W144-K223 VanDerWaalsContact CH2-CG 3.47Å; W144-K223 HydrophobicContact CZ2-CB 3.92Å; W144-K223 HydrophobicContact CZ2-CD 4.25Å; W144-K223 HydrophobicContact CZ2-CG 3.1Å; W144-K223 HydrophobicContact CZ3-CG 4.11Å; W144-K223 VanDerWaalsContact NE1-CE 3.27Å; W144-K223 PolarHBondContact O-NZ 3.11Å; N175-K223 HydrophobicContact CB-CD 4.49Å; N175-K223 WeakPolarHBondContact OD1-CD 3.34Å; A219-K223 PolarHBondContact O-N 2.88Å; K223-A225 VanDerWaalsContact C-N 3.34Å; K223-W232 VanDerWaalsContact O-CZ2 3.32Å; K223-W232 WeakPolarHBondContact O-CZ2 3.34Å; K223-V253 WeakPolarHBondContact O-CA 3.23Å
224S94.1Very high95.9Very high0 Ų014.8 Ų14.80%08%0.081CC..THydrogen-bonded Turntrans-91.89.7-179.771.20000114.8A220 G222 Q226 V253A220-S224 VanDerWaalsContact O-CB 3.3Å; A220-S224 WeakPolarHBondContact O-CB 3.47Å; A220-S224 PolarHBondContact O-N 3.35Å; A220-S224 PolarHBondContact O-OG 3.49Å; G222-S224 PolarHBondContact O-N 2.89Å; S224-Q226 PolarHBondContact O-N 3.36Å; S224-Q226 VanDerWaalsContact OG-CG 3.26Å; S224-Q226 WeakPolarHBondContact OG-CG 3.5Å; S224-Q226 PolarHBondContact OG-NE2 3.5Å; S224-V253 VanDerWaalsContact CA-O 3.27Å; S224-V253 WeakPolarHBondContact CA-O 3.19Å; S224-V253 WeakPolarHBondContact CB-O 3.27Å
225A93.4Very high95.7Very high0 Ų013.3 Ų13.30%08%0.076CC..THydrogen-bonded Turntrans53.150.917700000112.8T221 G222 K223 H230 W232 L233 V253 S307T221-A225 PolarHBondContact O-N 3.03Å; G222-A225 PolarHBondContact O-N 3.1Å; K223-A225 VanDerWaalsContact C-N 3.34Å; A225-H230 WeakPolarHBondContact O-CB 3.15Å; A225-W232 HydrophobicContact CB-CZ2 4Å; A225-L233 HydrophobicContact CB-CB 3.73Å; A225-L233 HydrophobicContact CB-CD1 3.55Å; A225-L233 HydrophobicContact CB-CG 4.28Å; A225-V253 HydrophobicContact CB-CG1 4.38Å; A225-S307 PolarHBondContact O-OG 3.47Å
226Q97Very high95.5Very high0 Ų013.4 Ų13.40%08%0.076CC..  trans-82.7179.2177.1-56-69.1-24.600111.6T221 S224 L229 H230 L280 T284 L310T221-Q226 HydrophobicContact CG2-CB 4.21Å; T221-Q226 HydrophobicContact CG2-CG 4.46Å; T221-Q226 PolarHBondContact O-N 3.49Å; S224-Q226 PolarHBondContact O-N 3.36Å; S224-Q226 VanDerWaalsContact OG-CG 3.26Å; S224-Q226 WeakPolarHBondContact OG-CG 3.5Å; S224-Q226 PolarHBondContact OG-NE2 3.5Å; Q226-L229 CarbonylContact O-C 3.25Å; Q226-L229 VanDerWaalsContact O-C 3.25Å; Q226-L229 PolarHBondContact O-N 2.83Å; Q226-H230 WeakPolarHBondContact O-CA 3.44Å; Q226-H230 WeakPolarHBondContact O-CB 3.36Å; Q226-H230 PolarHBondContact O-N 3.28Å; Q226-L280 HydrophobicContact CB-CD2 3.52Å; Q226-L280 HydrophobicContact CB-CG 4.49Å; Q226-L280 HydrophobicContact CG-CD2 3.73Å; Q226-T284 HydrophobicContact CB-CG2 3.85Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.27Å; Q226-T284 PolarHBondContact OE1-OG1 3.06Å; Q226-L310 PolarHBondContact NE2-O 2.69Å
227F96.4Very high95.3Very high84 Ų8413.4 Ų13.437%0.3688%0.077SC..THydrogen-bonded Turntrans-64.2142.1-172-175.6-101.7000109.2L229 T284 F287F227-L229 VanDerWaalsContact C-N 3.26Å; F227-L229 PolarHBondContact O-N 3.19Å; F227-T284 HydrophobicContact CB-CG2 3.46Å; F227-T284 VanDerWaalsContact CB-CG2 3.46Å; F227-F287 HydrophobicContact CD2-CB 4.45Å; F227-F287 HydrophobicContact CD2-CD1 4.33Å; F227-F287 HydrophobicContact CD2-CG 4.22Å; F227-F287 HydrophobicContact CE2-CD2 4.21Å; F227-F287 HydrophobicContact CE2-CG 4.2Å
228G95.3Very high95.1Very high27 Ų2715.4 Ų15.428%0.2789%0.085SC..THydrogen-bonded Turntrans85.5-36.9-166.800000114.7F529G228-F529 VanDerWaalsContact O-CZ 3.26Å; G228-F529 WeakPolarHBondContact O-CZ 3.5Å
229L96.3Very high94.8Very high23 Ų2312 Ų1212%0.127%0.068CC..SBendtrans-121.318.4-178.6-52.7176.3000113.4Y174 I177 Q226 F227 P231 W232Y174-L229 HydrophobicContact CD1-CB 3.72Å; Y174-L229 HydrophobicContact CD1-CD2 3.49Å; Y174-L229 VanDerWaalsContact CD1-CD2 3.49Å; Y174-L229 HydrophobicContact CD1-CG 4.15Å; Y174-L229 HydrophobicContact CE1-CB 4.23Å; Y174-L229 HydrophobicContact CE1-CD2 3.75Å; I177-L229 HydrophobicContact CD1-CD2 4.11Å; I177-L229 HydrophobicContact CG2-CD1 4.04Å; I177-L229 HydrophobicContact CG2-CD2 4.12Å; Q226-L229 CarbonylContact O-C 3.25Å; Q226-L229 VanDerWaalsContact O-C 3.25Å; Q226-L229 PolarHBondContact O-N 2.83Å; F227-L229 VanDerWaalsContact C-N 3.26Å; F227-L229 PolarHBondContact O-N 3.19Å; L229-P231 VanDerWaalsContact C-CD 3.44Å; L229-W232 PolarHBondContact O-NE1 2.94Å
230H95.4Very high94.7Very high4 Ų412 Ų122%0.0197%0.068CC..  trans-75-27-178.566.7-81.5000117A225 Q226 W232 L233 P234 F287 F529A225-H230 WeakPolarHBondContact O-CB 3.15Å; Q226-H230 WeakPolarHBondContact O-CA 3.44Å; Q226-H230 WeakPolarHBondContact O-CB 3.36Å; Q226-H230 PolarHBondContact O-N 3.28Å; H230-W232 PolarHBondContact O-N 2.87Å; H230-L233 PolarHBondContact O-N 2.98Å; H230-P234 VanDerWaalsContact O-CD 3.3Å; H230-P234 WeakPolarHBondContact O-CD 3.19Å; H230-F287 AromaticContact CD2-CE1 3.73Å; H230-F287 AromaticContact CE1-CE1 3.65Å; H230-F287 AromaticContact NE2-CE1 3.25Å; H230-F287 VanDerWaalsContact NE2-CE1 3.25Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.36Å; H230-F287 AromaticContact NE2-CZ 3.9Å; H230-F529 AromaticContact CE1-CD1 3.73Å; H230-F529 AromaticContact CE1-CE1 3.99Å; H230-F529 AromaticContact CE1-CG 3.85Å
231P95.7Very high94.6Very high5 Ų512 Ų123%0.0327%0.068CC..THydrogen-bonded Turntrans-65.2-16.4-166.3-27.836.8000116.6Q170 L229 L233 P234 S235 F529 P530Q170-P231 PolarHBondContact NE2-O 3Å; L229-P231 VanDerWaalsContact C-CD 3.44Å; P231-L233 VanDerWaalsContact C-N 3.33Å; P231-P234 WeakPolarHBondContact O-CD 3.37Å; P231-S235 PolarHBondContact O-OG 2.95Å; P231-F529 HydrophobicContact CG-CD1 3.5Å; P231-F529 VanDerWaalsContact CG-CD1 3.5Å; P231-F529 HydrophobicContact CG-CE1 3.49Å; P231-F529 VanDerWaalsContact CG-CE1 3.49Å; P231-P530 HydrophobicContact CB-CG 4.24Å; P231-P530 HydrophobicContact CG-CG 4.39Å
232W95.4Very high94.5Very high0 Ų011.4 Ų11.40%07%0.065CC..Hα-helixtrans-73.8-26-178.770.3-95.4000112.9Q170 A171 Y174 G222 K223 A225 L229 H230 S235 A236 M252 V253Q170-W232 HydrophobicContact CG-CB 4.23Å; A171-W232 HydrophobicContact CB-CB 4.41Å; A171-W232 HydrophobicContact CB-CE3 3.99Å; Y174-W232 HydrophobicContact CD2-CB 3.65Å; Y174-W232 AromaticContact CD2-CD1 3.99Å; Y174-W232 HydrophobicContact CD2-CG 4.18Å; Y174-W232 HydrophobicContact CE2-CB 4.3Å; Y174-W232 HydrophobicContact CG-CB 4.28Å; Y174-W232 AromaticContact CG-CD1 3.74Å; Y174-W232 HydrophobicContact CG-CG 4.33Å; G222-W232 PolarHBondContact O-NE1 3.41Å; K223-W232 VanDerWaalsContact O-CZ2 3.32Å; K223-W232 WeakPolarHBondContact O-CZ2 3.34Å; A225-W232 HydrophobicContact CB-CZ2 4Å; L229-W232 PolarHBondContact O-NE1 2.94Å; H230-W232 PolarHBondContact O-N 2.87Å; W232-S235 WeakPolarHBondContact CA-OG 3.35Å; W232-S235 PolarHBondContact O-N 3.13Å; W232-S235 PolarHBondContact O-OG 3.33Å; W232-S235 VanDerWaalsContact O-OG 3.1Å; W232-A236 WeakPolarHBondContact O-CB 3.27Å; W232-A236 PolarHBondContact O-N 3.38Å; W232-M252 HydrophobicContact CE3-CE 4.48Å; W232-M252 HydrophobicContact CH2-CE 3.56Å; W232-M252 HydrophobicContact CH2-CG 4.25Å; W232-M252 HydrophobicContact CH2-SD 3.83Å; W232-M252 HydrophobicContact CZ2-CE 4.38Å; W232-M252 HydrophobicContact CZ3-CE 3.63Å; W232-M252 HydrophobicContact CZ3-SD 3.86Å; W232-V253 HydrophobicContact CH2-CG2 3.96Å
233L94.1Very high94.4Very high2 Ų211.5 Ų11.51%0.017%0.065CC..Hα-helixtrans-70.2-46.2-177-168.1168.3000111.1A225 H230 P231 S235 A236 M237 V253 A303A225-L233 HydrophobicContact CB-CB 3.73Å; A225-L233 HydrophobicContact CB-CD1 3.55Å; A225-L233 HydrophobicContact CB-CG 4.28Å; H230-L233 PolarHBondContact O-N 2.98Å; P231-L233 VanDerWaalsContact C-N 3.33Å; L233-S235 VanDerWaalsContact C-N 3.35Å; L233-S235 PolarHBondContact O-N 3.2Å; L233-A236 WeakPolarHBondContact O-CB 3.31Å; L233-A236 PolarHBondContact O-N 2.93Å; L233-M237 HydrophobicContact CD2-CE 4.06Å; L233-M237 VanDerWaalsContact O-CE 3.29Å; L233-M237 WeakPolarHBondContact O-CE 3.36Å; L233-V253 HydrophobicContact CD1-CB 4.49Å; L233-V253 HydrophobicContact CD1-CG1 3.71Å; L233-V253 HydrophobicContact CD1-CG2 3.96Å; L233-A303 HydrophobicContact CD2-CB 3.5Å; L233-A303 WeakPolarHBondContact CD2-O 3.45Å
234P93.5Very high94.3Very high8 Ų811.4 Ų11.45%0.0526%0.064CC..Hα-helixtrans-64.5-33.8173.6-23.334.6000114.2H230 P231 M237 F304H230-P234 VanDerWaalsContact O-CD 3.3Å; H230-P234 WeakPolarHBondContact O-CD 3.19Å; P231-P234 WeakPolarHBondContact O-CD 3.37Å; P234-M237 WeakPolarHBondContact O-CB 3.42Å; P234-M237 WeakPolarHBondContact O-CG 3.26Å; P234-M237 PolarHBondContact O-N 3.11Å; P234-F304 HydrophobicContact CB-CE1 4.12Å; P234-F304 HydrophobicContact CB-CE2 4.16Å; P234-F304 HydrophobicContact CB-CZ 3.58Å; P234-F304 HydrophobicContact CG-CD1 4.07Å; P234-F304 HydrophobicContact CG-CE1 3.22Å; P234-F304 HydrophobicContact CG-CE2 4.13Å; P234-F304 HydrophobicContact CG-CZ 3.22Å
235S93.1Very high94.1Very high26 Ų2611.4 Ų11.418%0.1826%0.064CC..Hα-helixtrans-74.6-26.317858.30000112.7A167 Q170 P231 W232 L233 M237 E238A167-S235 WeakPolarHBondContact CB-O 3.39Å; Q170-S235 PolarHBondContact OE1-OG 3.17Å; P231-S235 PolarHBondContact O-OG 2.95Å; W232-S235 WeakPolarHBondContact CA-OG 3.35Å; W232-S235 PolarHBondContact O-N 3.13Å; W232-S235 PolarHBondContact O-OG 3.33Å; W232-S235 VanDerWaalsContact O-OG 3.1Å; L233-S235 VanDerWaalsContact C-N 3.35Å; L233-S235 PolarHBondContact O-N 3.2Å; S235-M237 PolarHBondContact O-N 2.89Å; S235-E238 PolarHBondContact O-N 2.89Å
236A92.9Very high94.1Very high1 Ų111.4 Ų11.41%0.0087%0.065CC..G310 helixtrans-61.7-12.4173.400000114.2I155 W232 L233 E238 G239I155-A236 HydrophobicContact CD1-CB 3.69Å; I155-A236 HydrophobicContact CG1-CB 4.12Å; W232-A236 WeakPolarHBondContact O-CB 3.27Å; W232-A236 PolarHBondContact O-N 3.38Å; L233-A236 WeakPolarHBondContact O-CB 3.31Å; L233-A236 PolarHBondContact O-N 2.93Å; A236-E238 PolarHBondContact O-N 3.05Å; A236-G239 PolarHBondContact O-N 3.15Å; A236-G239 VanDerWaalsContact O-N 3.15Å
237M93.9Very high93.5Very high1 Ų111.5 Ų11.51%0.0057%0.065CC..G310 helixtrans-70-10.4177.3-60.6-57.4126.500114.5L233 P234 S235 G239 H248 K299 K300 A303 F340L233-M237 HydrophobicContact CD2-CE 4.06Å; L233-M237 VanDerWaalsContact O-CE 3.29Å; L233-M237 WeakPolarHBondContact O-CE 3.36Å; P234-M237 WeakPolarHBondContact O-CB 3.42Å; P234-M237 WeakPolarHBondContact O-CG 3.26Å; P234-M237 PolarHBondContact O-N 3.11Å; S235-M237 PolarHBondContact O-N 2.89Å; M237-G239 PolarHBondContact O-N 3.38Å; M237-H248 WeakPolarHBondContact CE-CD2 3.44Å; M237-H248 VanDerWaalsContact CE-NE2 3.26Å; M237-H248 WeakPolarHBondContact CE-NE2 3.42Å; M237-K299 HydrophobicContact CB-CB 3.93Å; M237-K299 HydrophobicContact CB-CD 4.33Å; M237-K299 HydrophobicContact CG-CB 3.97Å; M237-K299 PolarHBondContact O-NZ 2.97Å; M237-K299 HydrophobicContact SD-CB 3.88Å; M237-K300 HydrophobicContact CB-CG 4.42Å; M237-K300 HydrophobicContact CG-CG 4.31Å; M237-A303 HydrophobicContact CE-CB 3.51Å; M237-A303 HydrophobicContact CG-CB 3.9Å; M237-A303 HydrophobicContact SD-CB 3.88Å; M237-F340 HydrophobicContact CE-CZ 4.43Å; M237-F340 HydrophobicContact SD-CE1 3.9Å; M237-F340 HydrophobicContact SD-CZ 4.21Å
238E91.8Very high92.6Very high56 Ų567.5 Ų7.526%0.2625%0.048SC..G310 helixtrans-62.5-23168.3-67.7-56.3147.400112.3S235 A236S235-E238 PolarHBondContact O-N 2.89Å; A236-E238 PolarHBondContact O-N 3.05Å
239G92.8Very high91.5Very high1 Ų16.2 Ų6.21%0.013%0.034CC..SBendtrans-65.6164.4172.300000113.5A236 M237 K299A236-G239 PolarHBondContact O-N 3.15Å; A236-G239 VanDerWaalsContact O-N 3.15Å; M237-G239 PolarHBondContact O-N 3.38Å; G239-K299 PolarHBondContact O-NZ 3.49Å
240P94.8Very high90.4Very high0 Ų05.2 Ų5.20%03%0.029CC..  trans-65.7151177.429.1-34.4000111.1M108 F117 W158 V243 S244M108-P240 HydrophobicContact SD-CB 4.17Å; F117-P240 HydrophobicContact CE2-CG 3.72Å; F117-P240 HydrophobicContact CZ-CG 4.15Å; W158-P240 HydrophobicContact CH2-CB 4.43Å; P240-V243 HydrophobicContact CG-CB 4.1Å; P240-V243 HydrophobicContact CG-CG2 3.67Å; P240-V243 WeakPolarHBondContact O-CB 3.27Å; P240-V243 PolarHBondContact O-N 3.23Å; P240-V243 VanDerWaalsContact O-N 3.07Å; P240-S244 PolarHBondContact O-N 2.66Å; P240-S244 VanDerWaalsContact O-N 3.15Å
241T94.5Very high90Very high0 Ų05 Ų50%03%0.028CC..Hα-helixtrans-60.8-33.1-173.558.20000115.5Y107 V243 S244 A245 K299 I347Y107-T241 WeakPolarHBondContact CD2-OG1 3.5Å; Y107-T241 HydrophobicContact CE2-CG2 4.26Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.46Å; T241-V243 VanDerWaalsContact C-N 3.27Å; T241-V243 PolarHBondContact O-N 3.45Å; T241-S244 WeakPolarHBondContact CA-OG 3.29Å; T241-S244 PolarHBondContact O-N 2.62Å; T241-S244 PolarHBondContact O-OG 2.96Å; T241-A245 WeakPolarHBondContact O-CB 3.43Å; T241-A245 PolarHBondContact O-N 2.74Å; T241-K299 HydrophobicContact CG2-CD 4.08Å; T241-I347 HydrophobicContact CG2-CD1 3.98Å
242P94.6Very high89.8Confident0 Ų04.8 Ų4.80%03%0.027CC..Hα-helixtrans-65.9-32.9175.7-18.232000112I100 F103 Y107 F117 L246I100-P242 HydrophobicContact CG2-CB 3.97Å; I100-P242 WeakPolarHBondContact CG2-O 3.28Å; F103-P242 HydrophobicContact CD1-CB 4.24Å; F103-P242 HydrophobicContact CD1-CG 3.92Å; F103-P242 HydrophobicContact CE1-CG 3.94Å; Y107-P242 HydrophobicContact CD1-CG 3.98Å; Y107-P242 HydrophobicContact CG-CG 4.14Å; F117-P242 HydrophobicContact CE1-CB 4.39Å; F117-P242 HydrophobicContact CZ-CB 4.24Å; F117-P242 HydrophobicContact CZ-CG 4.5Å; P242-L246 WeakPolarHBondContact O-CB 3.14Å; P242-L246 PolarHBondContact O-N 2.88Å
243V93.6Very high89.7Confident1 Ų14.8 Ų4.81%0.0063%0.027CC..Hα-helixtrans-67.4-49.7175.1170.10000109.8F117 L121 L154 P240 T241 A245 L246 L247F117-V243 HydrophobicContact CE2-CG2 3.43Å; F117-V243 VanDerWaalsContact CE2-CG2 3.43Å; F117-V243 HydrophobicContact CZ-CG2 3.58Å; L121-V243 HydrophobicContact CD2-CG2 4.22Å; L154-V243 HydrophobicContact CB-CB 4.42Å; L154-V243 HydrophobicContact CB-CG1 3.63Å; L154-V243 HydrophobicContact CB-CG2 3.84Å; L154-V243 HydrophobicContact CD1-CG1 4.42Å; L154-V243 HydrophobicContact CD1-CG2 4.39Å; L154-V243 HydrophobicContact CD2-CG2 3.85Å; L154-V243 HydrophobicContact CG-CG2 4.24Å; P240-V243 HydrophobicContact CG-CB 4.1Å; P240-V243 HydrophobicContact CG-CG2 3.67Å; P240-V243 WeakPolarHBondContact O-CB 3.27Å; P240-V243 PolarHBondContact O-N 3.23Å; P240-V243 VanDerWaalsContact O-N 3.07Å; T241-V243 VanDerWaalsContact C-N 3.27Å; T241-V243 PolarHBondContact O-N 3.45Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.22Å; V243-L246 PolarHBondContact O-N 3.29Å; V243-L246 VanDerWaalsContact O-N 3.08Å; V243-L247 HydrophobicContact CG1-CD1 3.37Å; V243-L247 HydrophobicContact CG1-CG 3.8Å; V243-L247 WeakPolarHBondContact O-CB 3.39Å; V243-L247 WeakPolarHBondContact O-CG 3.08Å; V243-L247 PolarHBondContact O-N 3Å
244S91.7Very high89.6Confident0 Ų04.8 Ų4.80%03%0.027CC..Hα-helixtrans-62.8-38.2-179.564.40000111.5P240 T241 L246 H248P240-S244 PolarHBondContact O-N 2.66Å; P240-S244 VanDerWaalsContact O-N 3.15Å; T241-S244 WeakPolarHBondContact CA-OG 3.29Å; T241-S244 PolarHBondContact O-N 2.62Å; T241-S244 PolarHBondContact O-OG 2.96Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 3.35Å; S244-H248 VanDerWaalsContact CA-CD2 3.49Å; S244-H248 WeakPolarHBondContact CA-CD2 3.12Å; S244-H248 WeakPolarHBondContact O-CB 3.26Å; S244-H248 PolarHBondContact O-CD2 3.27Å; S244-H248 VanDerWaalsContact O-CD2 3.22Å; S244-H248 PolarHBondContact O-N 2.9Å; S244-H248 VanDerWaalsContact O-N 3.08Å
245A91.1Very high89.6Confident0 Ų04.5 Ų4.50%03%0.025CC..Hα-helixtrans-56.5-47171.900000111.4I100 T241 V243 S249 F340I100-A245 HydrophobicContact CD1-CB 4.01Å; I100-A245 HydrophobicContact CG1-CB 4.33Å; T241-A245 WeakPolarHBondContact O-CB 3.43Å; T241-A245 PolarHBondContact O-N 2.74Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.22Å; A245-S249 WeakPolarHBondContact O-CB 3.03Å; A245-S249 PolarHBondContact O-N 3.34Å; A245-S249 PolarHBondContact O-OG 2.65Å; A245-F340 HydrophobicContact CB-CB 3.57Å; A245-F340 HydrophobicContact CB-CG 4.29Å
246L91.8Very high89.6Confident1 Ų13.2 Ų3.21%0.0052%0.016CC..Hα-helixtrans-75.1-51.4-175.4-163.1150.9000112.2T97 I100 L121 F124 P242 V243 S244 S250 T251T97-L246 HydrophobicContact CG2-CD1 3.55Å; T97-L246 HydrophobicContact CG2-CG 4.07Å; I100-L246 VanDerWaalsContact CD1-CA 3.49Å; I100-L246 HydrophobicContact CD1-CB 3.62Å; I100-L246 HydrophobicContact CD1-CD1 4.27Å; I100-L246 HydrophobicContact CD1-CG 4.01Å; I100-L246 HydrophobicContact CG2-CB 4.33Å; I100-L246 HydrophobicContact CG2-CD1 4.25Å; L121-L246 HydrophobicContact CD2-CD1 4.29Å; F124-L246 HydrophobicContact CD1-CD2 3.17Å; F124-L246 HydrophobicContact CE1-CD2 3.1Å; F124-L246 HydrophobicContact CG-CD2 4.24Å; F124-L246 HydrophobicContact CZ-CD2 4.1Å; P242-L246 WeakPolarHBondContact O-CB 3.14Å; P242-L246 PolarHBondContact O-N 2.88Å; V243-L246 PolarHBondContact O-N 3.29Å; V243-L246 VanDerWaalsContact O-N 3.08Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 3.35Å; L246-S250 PolarHBondContact O-OG 3.13Å; L246-T251 HydrophobicContact CD2-CG2 4.11Å; L246-T251 PolarHBondContact O-OG1 3.43Å
247L85.6Confident89.8Confident1 Ų13.2 Ų3.21%0.0052%0.016CC..Hα-helixtrans-63.6-44.2-175.2-65.8-174.2000112F124 I155 V243 M252F124-L247 HydrophobicContact CD1-CD2 4.37Å; F124-L247 HydrophobicContact CD2-CD2 3.58Å; F124-L247 HydrophobicContact CE1-CD2 3.96Å; F124-L247 HydrophobicContact CE2-CD2 3.04Å; F124-L247 HydrophobicContact CG-CD2 4.22Å; F124-L247 HydrophobicContact CZ-CD2 3.28Å; I155-L247 HydrophobicContact CG1-CD1 4.45Å; V243-L247 HydrophobicContact CG1-CD1 3.37Å; V243-L247 HydrophobicContact CG1-CG 3.8Å; V243-L247 WeakPolarHBondContact O-CB 3.39Å; V243-L247 WeakPolarHBondContact O-CG 3.08Å; V243-L247 PolarHBondContact O-N 3Å; L247-M252 HydrophobicContact CB-CB 4.41Å; L247-M252 HydrophobicContact CD2-CB 4.27Å; L247-M252 PolarHBondContact O-N 2.78Å
248H77.3Confident89.9Confident1 Ų13.1 Ų3.11%0.0052%0.016CC..Hα-helixtrans-98.4-12.9-168.5-52.4-63.9000114.6M237 S244 V253 T306 F340M237-H248 WeakPolarHBondContact CE-CD2 3.44Å; M237-H248 VanDerWaalsContact CE-NE2 3.26Å; M237-H248 WeakPolarHBondContact CE-NE2 3.42Å; S244-H248 VanDerWaalsContact CA-CD2 3.49Å; S244-H248 WeakPolarHBondContact CA-CD2 3.12Å; S244-H248 WeakPolarHBondContact O-CB 3.26Å; S244-H248 PolarHBondContact O-CD2 3.27Å; S244-H248 VanDerWaalsContact O-CD2 3.22Å; S244-H248 PolarHBondContact O-N 2.9Å; S244-H248 VanDerWaalsContact O-N 3.08Å; H248-V253 HydrophobicContact CB-CG2 4.39Å; H248-T306 WeakPolarHBondContact O-CG2 3.44Å; H248-F340 HydrophobicContact CB-CE2 4.11Å; H248-F340 HydrophobicContact CB-CZ 4.27Å
249S72.4Confident90.2Very high0 Ų00.5 Ų0.50%00%0.003CC..Hα-helixtrans-84.9-48174.9670000113.1A245 H332A245-S249 WeakPolarHBondContact O-CB 3.03Å; A245-S249 PolarHBondContact O-N 3.34Å; A245-S249 PolarHBondContact O-OG 2.65Å; S249-H332 PolarHBondContact O-ND1 3.11Å
250S72.9Confident90.4Very high1 Ų10.5 Ų0.51%0.0070%0.003CC..THydrogen-bonded Turntrans-132.9-21.8-156.748.90000114.6F89 L246F89-S250 VanDerWaalsContact CE2-O 3.22Å; F89-S250 WeakPolarHBondContact CE2-O 3.45Å; F89-S250 WeakPolarHBondContact CZ-O 3.34Å; L246-S250 PolarHBondContact O-OG 3.13Å
251T86.2Confident90.4Very high0 Ų00.5 Ų0.50%00%0.003CC..SBendtrans-121.5-81.9-162.256.10000114F124 M128 L246 V253 V254 A255F124-T251 VanDerWaalsContact CE1-CB 3.42Å; F124-T251 HydrophobicContact CE1-CG2 3.87Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.39Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.24Å; M128-T251 VanDerWaalsContact CE-O 3.29Å; M128-T251 WeakPolarHBondContact CE-O 3.3Å; M128-T251 HydrophobicContact CG-CG2 3.97Å; L246-T251 HydrophobicContact CD2-CG2 4.11Å; L246-T251 PolarHBondContact O-OG1 3.43Å; T251-V253 PolarHBondContact O-N 2.91Å; T251-V254 PolarHBondContact O-N 3Å; T251-A255 PolarHBondContact O-N 3.5Å
252M91.3Very high90.5Very high0 Ų00.8 Ų0.80%00%0.004CC..THydrogen-bonded Turntrans-60.6-50.5-168.3176.3-179.2-176.400112.3F124 V147 S151 N175 W232 L247 V254 A255F124-M252 HydrophobicContact CE2-CB 4.31Å; F124-M252 HydrophobicContact CZ-CB 4.05Å; V147-M252 HydrophobicContact CG1-CB 3.78Å; V147-M252 HydrophobicContact CG1-CG 3.72Å; S151-M252 WeakPolarHBondContact CB-SD 3.32Å; S151-M252 VanDerWaalsContact OG-CE 3.32Å; S151-M252 WeakPolarHBondContact OG-CE 3.49Å; N175-M252 WeakPolarHBondContact ND2-CE 3.27Å; W232-M252 HydrophobicContact CE3-CE 4.48Å; W232-M252 HydrophobicContact CH2-CE 3.56Å; W232-M252 HydrophobicContact CH2-CG 4.25Å; W232-M252 HydrophobicContact CH2-SD 3.83Å; W232-M252 HydrophobicContact CZ2-CE 4.38Å; W232-M252 HydrophobicContact CZ3-CE 3.63Å; W232-M252 HydrophobicContact CZ3-SD 3.86Å; L247-M252 HydrophobicContact CB-CB 4.41Å; L247-M252 HydrophobicContact CD2-CB 4.27Å; L247-M252 PolarHBondContact O-N 2.78Å; M252-V254 VanDerWaalsContact C-N 3.25Å; M252-V254 PolarHBondContact O-N 2.6Å; M252-A255 WeakPolarHBondContact O-CB 3.3Å; M252-A255 PolarHBondContact O-N 3.17Å
253V93.3Very high90.5Very high1 Ų10.8 Ų0.81%0.0060%0.004CC..THydrogen-bonded Turntrans-73.4-25.4-172.3-159.40000111.7K223 S224 A225 W232 L233 H248 T251 L310K223-V253 WeakPolarHBondContact O-CA 3.23Å; S224-V253 VanDerWaalsContact CA-O 3.27Å; S224-V253 WeakPolarHBondContact CA-O 3.19Å; S224-V253 WeakPolarHBondContact CB-O 3.27Å; A225-V253 HydrophobicContact CB-CG1 4.38Å; W232-V253 HydrophobicContact CH2-CG2 3.96Å; L233-V253 HydrophobicContact CD1-CB 4.49Å; L233-V253 HydrophobicContact CD1-CG1 3.71Å; L233-V253 HydrophobicContact CD1-CG2 3.96Å; H248-V253 HydrophobicContact CB-CG2 4.39Å; T251-V253 PolarHBondContact O-N 2.91Å; V253-L310 HydrophobicContact CB-CD1 3.83Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.47Å; V253-L310 HydrophobicContact CG1-CG 4.37Å
254V93.4Very high90.5Very high2 Ų22.6 Ų2.61%0.0121%0.012CC..THydrogen-bonded Turntrans-75.5-27.1177.3171.60000111.9F89 T251 M252 G256 I257 F258 L310 I329F89-V254 HydrophobicContact CE2-CG1 4.15Å; T251-V254 PolarHBondContact O-N 3Å; M252-V254 VanDerWaalsContact C-N 3.25Å; M252-V254 PolarHBondContact O-N 2.6Å; V254-G256 PolarHBondContact O-N 3.4Å; V254-G256 VanDerWaalsContact O-N 3.13Å; V254-I257 PolarHBondContact O-N 3.43Å; V254-F258 WeakPolarHBondContact O-CB 3.36Å; V254-F258 PolarHBondContact O-N 3.1Å; V254-L310 HydrophobicContact CG2-CD2 4.21Å; V254-I329 HydrophobicContact CB-CG2 4.45Å; V254-I329 HydrophobicContact CG1-CB 4.22Å; V254-I329 HydrophobicContact CG1-CD1 3.75Å; V254-I329 HydrophobicContact CG1-CG1 3.87Å; V254-I329 HydrophobicContact CG1-CG2 3.32Å; V254-I329 HydrophobicContact CG2-CG2 4.31Å
255A93.3Very high90.6Very high1 Ų14.1 Ų4.11%0.0082%0.022CC..Hα-helixtrans-54.1-37.2-174.600000113.6M128 L131 W144 T251 M252 L259M128-A255 HydrophobicContact CE-CB 4.15Å; M128-A255 HydrophobicContact SD-CB 4.38Å; L131-A255 HydrophobicContact CD1-CB 3.88Å; L131-A255 HydrophobicContact CD2-CB 4.29Å; W144-A255 HydrophobicContact CZ3-CB 4.39Å; T251-A255 PolarHBondContact O-N 3.5Å; M252-A255 WeakPolarHBondContact O-CB 3.3Å; M252-A255 PolarHBondContact O-N 3.17Å; A255-L259 WeakPolarHBondContact O-CB 3.49Å; A255-L259 PolarHBondContact O-N 3.41Å
256G93.1Very high90.7Very high0 Ų04.3 Ų4.30%02%0.023CC..Hα-helixtrans-66-41176.900000113.6A220 V254 L259 L260A220-G256 WeakPolarHBondContact CB-O 3.35Å; V254-G256 PolarHBondContact O-N 3.4Å; V254-G256 VanDerWaalsContact O-N 3.13Å; G256-L259 WeakPolarHBondContact O-CB 3.36Å; G256-L259 PolarHBondContact O-N 3.29Å; G256-L260 PolarHBondContact O-N 3.49Å
257I96.5Very high90.7Very high0 Ų04.6 Ų4.60%03%0.025CC..Hα-helixtrans-73.5-40.5177.9-55.5-169.6000110V254 L259 L260 V261 L310 M313 L317 I329V254-I257 PolarHBondContact O-N 3.43Å; I257-L259 VanDerWaalsContact C-N 3.26Å; I257-L259 PolarHBondContact O-N 2.67Å; I257-L260 PolarHBondContact O-N 3.4Å; I257-L260 VanDerWaalsContact O-N 3.09Å; I257-V261 WeakPolarHBondContact O-CG2 3.31Å; I257-V261 PolarHBondContact O-N 3.13Å; I257-L310 HydrophobicContact CD1-CB 3.9Å; I257-L310 HydrophobicContact CD1-CD2 3.52Å; I257-L310 HydrophobicContact CD1-CG 4.32Å; I257-L310 VanDerWaalsContact CD1-O 3.23Å; I257-L310 WeakPolarHBondContact CD1-O 3.33Å; I257-L310 HydrophobicContact CG1-CD2 4.39Å; I257-M313 HydrophobicContact CD1-CB 3.62Å; I257-M313 HydrophobicContact CD1-CG 4.43Å; I257-M313 HydrophobicContact CD1-SD 4.02Å; I257-M313 HydrophobicContact CG2-CB 4.03Å; I257-L317 HydrophobicContact CG2-CD1 3.67Å; I257-I329 HydrophobicContact CB-CD1 4.32Å; I257-I329 HydrophobicContact CG2-CD1 3.92Å
258F96.8Very high91Very high0 Ų07.2 Ų7.20%04%0.041CC..Hα-helixtrans-57-41174180-92.2000111.9F85 L131 T132 V254 L260 V261 R262 F326F85-F258 HydrophobicContact CB-CE2 3.94Å; F85-F258 HydrophobicContact CB-CZ 4.4Å; L131-F258 HydrophobicContact CD2-CD1 3.99Å; L131-F258 HydrophobicContact CD2-CE1 4.35Å; T132-F258 HydrophobicContact CG2-CD1 4.35Å; T132-F258 HydrophobicContact CG2-CE1 4.05Å; T132-F258 HydrophobicContact CG2-CE2 4.28Å; T132-F258 HydrophobicContact CG2-CZ 3.97Å; T132-F258 WeakPolarHBondContact O-CZ 3.32Å; V254-F258 WeakPolarHBondContact O-CB 3.36Å; V254-F258 PolarHBondContact O-N 3.1Å; F258-L260 PolarHBondContact O-N 3.22Å; F258-V261 WeakPolarHBondContact O-CB 3.26Å; F258-V261 PolarHBondContact O-N 3.02Å; F258-R262 HydrophobicContact CD1-CG 4.11Å; F258-R262 HydrophobicContact CE1-CG 3.71Å; F258-R262 HydrophobicContact CZ-CG 4.11Å; F258-R262 WeakPolarHBondContact O-CG 3.48Å; F258-R262 PolarHBondContact O-N 3.29Å; F258-F326 HydrophobicContact CD2-CD2 4.41Å; F258-F326 HydrophobicContact CD2-CE2 4.14Å; F258-F326 HydrophobicContact CE2-CE2 4.12Å
259L96.7Very high91.6Very high0 Ų012 Ų120%07%0.067CC..Hα-helixtrans-56.9-49.1173.6-177.5153.5000111.2L140 W144 F182 L216 A255 G256 I257 V261 R262 F263L140-L259 HydrophobicContact CD2-CD1 4.1Å; W144-L259 HydrophobicContact CE3-CD1 4.23Å; W144-L259 HydrophobicContact CH2-CD1 4.1Å; W144-L259 HydrophobicContact CZ3-CB 4.19Å; W144-L259 HydrophobicContact CZ3-CD1 3.69Å; F182-L259 HydrophobicContact CD2-CD1 3.58Å; F182-L259 HydrophobicContact CE2-CD1 3.29Å; F182-L259 HydrophobicContact CZ-CD1 4.36Å; L216-L259 HydrophobicContact CB-CD2 3.76Å; L216-L259 HydrophobicContact CD1-CD2 4.01Å; L216-L259 HydrophobicContact CD2-CD1 4.29Å; L216-L259 HydrophobicContact CD2-CD2 3.61Å; L216-L259 HydrophobicContact CD2-CG 4.47Å; L216-L259 HydrophobicContact CG-CD2 3.95Å; A255-L259 WeakPolarHBondContact O-CB 3.49Å; A255-L259 PolarHBondContact O-N 3.41Å; G256-L259 WeakPolarHBondContact O-CB 3.36Å; G256-L259 PolarHBondContact O-N 3.29Å; I257-L259 VanDerWaalsContact C-N 3.26Å; I257-L259 PolarHBondContact O-N 2.67Å; L259-V261 VanDerWaalsContact C-N 3.33Å; L259-V261 PolarHBondContact O-N 3.4Å; L259-R262 WeakPolarHBondContact O-CB 3.47Å; L259-R262 PolarHBondContact O-N 3Å; L259-R262 VanDerWaalsContact O-N 3.15Å; L259-F263 HydrophobicContact CD2-CD2 3.88Å; L259-F263 HydrophobicContact CD2-CE2 4.33Å; L259-F263 HydrophobicContact CG-CD2 4.17Å; L259-F263 HydrophobicContact CG-CE2 4.31Å; L259-F263 VanDerWaalsContact O-CD2 3.31Å; L259-F263 WeakPolarHBondContact O-CD2 3.19Å; L259-F263 PolarHBondContact O-N 2.82Å; L259-F263 VanDerWaalsContact O-N 3.14Å
260L96.9Very high92.5Very high2 Ų213 Ų131%0.017%0.072CC..Hα-helixtrans-65.7-37.1-179.7-68.5173.8000112L216 A220 G256 I257 F258 R262 F263 H264 M277 M314 L317L216-L260 HydrophobicContact CB-CD2 4.13Å; A220-L260 HydrophobicContact CB-CD1 3.45Å; A220-L260 VanDerWaalsContact CB-CD1 3.45Å; A220-L260 HydrophobicContact CB-CD2 4.44Å; A220-L260 HydrophobicContact CB-CG 3.8Å; G256-L260 PolarHBondContact O-N 3.49Å; I257-L260 PolarHBondContact O-N 3.4Å; I257-L260 VanDerWaalsContact O-N 3.09Å; F258-L260 PolarHBondContact O-N 3.22Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 3.42Å; L260-F263 CarbonylContact O-C 3.22Å; L260-F263 PolarHBondContact O-N 3.21Å; L260-H264 PolarHBondContact O-N 2.89Å; L260-H264 VanDerWaalsContact O-N 3.07Å; L260-M277 HydrophobicContact CD1-SD 4.05Å; L260-M314 HydrophobicContact CD1-CE 3.56Å; L260-M314 HydrophobicContact CD1-SD 3.6Å; L260-M314 VanDerWaalsContact CD1-SD 3.6Å; L260-L317 HydrophobicContact CB-CD1 3.68Å; L260-L317 HydrophobicContact CD1-CD1 4.08Å
261V96.7Very high93.5Very high0 Ų018.6 Ų18.60%010%0.102CC..Hα-helixtrans-58.5-41.4172.4171.30000111.1F85 I257 F258 L259 F263 H264 L317 P322 A325 F326F85-V261 HydrophobicContact CD1-CG1 3.74Å; F85-V261 HydrophobicContact CD2-CG1 4.22Å; F85-V261 HydrophobicContact CE1-CG1 3.41Å; F85-V261 VanDerWaalsContact CE1-CG1 3.41Å; F85-V261 HydrophobicContact CE2-CG1 3.94Å; F85-V261 HydrophobicContact CG-CG1 4.14Å; F85-V261 HydrophobicContact CZ-CG1 3.52Å; I257-V261 WeakPolarHBondContact O-CG2 3.31Å; I257-V261 PolarHBondContact O-N 3.13Å; F258-V261 WeakPolarHBondContact O-CB 3.26Å; F258-V261 PolarHBondContact O-N 3.02Å; L259-V261 VanDerWaalsContact C-N 3.33Å; L259-V261 PolarHBondContact O-N 3.4Å; V261-F263 VanDerWaalsContact C-N 3.31Å; V261-F263 PolarHBondContact O-N 3.3Å; V261-H264 WeakPolarHBondContact O-CB 3.42Å; V261-H264 PolarHBondContact O-N 3.2Å; V261-H264 PolarHBondContact O-ND1 2.84Å; V261-L317 HydrophobicContact CG2-CD2 3.75Å; V261-P322 HydrophobicContact CG1-CB 4.34Å; V261-A325 HydrophobicContact CG2-CB 4.43Å; V261-F326 HydrophobicContact CG1-CB 4.35Å
262R95.6Very high93.9Very high6 Ų623.7 Ų23.72%0.02312%0.124CC..Hα-helixtrans-64.8-35.8177.5-72.1-66.4-170.3154.7-0.3112.7D83 S86 T132 M202 F258 L259 L260 H264D83-R262 IonicContact OD1-CZ 2.69Å; D83-R262 IonicContact OD1-NH1 3.16Å; D83-R262 PolarHBondContact OD1-NH1 3.33Å; D83-R262 IonicContact OD1-NH2 3.73Å; D83-R262 PolarHBondContact OD1-NH2 3.48Å; D83-R262 IonicContact OD2-CZ 2.98Å; D83-R262 VanDerWaalsContact OD2-CZ 3.32Å; D83-R262 IonicContact OD2-NH1 2.62Å; D83-R262 PolarHBondContact OD2-NH1 2.9Å; D83-R262 IonicContact OD2-NH2 3.42Å; S86-R262 VanDerWaalsContact CB-NH2 3.32Å; T132-R262 PolarHBondContact O-NH2 3.01Å; M202-R262 WeakPolarHBondContact CE-O 3.3Å; F258-R262 HydrophobicContact CD1-CG 4.11Å; F258-R262 HydrophobicContact CE1-CG 3.71Å; F258-R262 HydrophobicContact CZ-CG 4.11Å; F258-R262 WeakPolarHBondContact O-CG 3.48Å; F258-R262 PolarHBondContact O-N 3.29Å; L259-R262 WeakPolarHBondContact O-CB 3.47Å; L259-R262 PolarHBondContact O-N 3Å; L259-R262 VanDerWaalsContact O-N 3.15Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 3.42Å; R262-H264 VanDerWaalsContact C-N 3.33Å
263F95Very high94.1Very high0 Ų023.7 Ų23.70%012%0.124CC..THydrogen-bonded Turntrans-91.414.4177.7-73.6-73.8000114.1M137 F189 L198 I201 M202 L216 L259 L260 V261 P265 L266 T267M137-F263 HydrophobicContact CE-CE2 3.99Å; M137-F263 HydrophobicContact CE-CZ 3.86Å; M137-F263 HydrophobicContact CG-CZ 4.08Å; M137-F263 HydrophobicContact SD-CE2 3.62Å; M137-F263 HydrophobicContact SD-CZ 3.36Å; M137-F263 WeakPolarHBondContact SD-CZ 3.2Å; F189-F263 HydrophobicContact CE2-CE1 4.25Å; F189-F263 HydrophobicContact CZ-CE1 4.47Å; L198-F263 HydrophobicContact CD2-CD1 4.13Å; L198-F263 HydrophobicContact CD2-CE1 3.36Å; L198-F263 HydrophobicContact CD2-CE2 4.02Å; L198-F263 HydrophobicContact CD2-CZ 3.29Å; I201-F263 HydrophobicContact CD1-CE1 4.41Å; I201-F263 HydrophobicContact CG2-CD1 4.48Å; I201-F263 HydrophobicContact CG2-CE1 3.98Å; M202-F263 HydrophobicContact CE-CD1 4.37Å; L216-F263 HydrophobicContact CD1-CB 3.93Å; L216-F263 HydrophobicContact CD1-CD1 4.08Å; L216-F263 HydrophobicContact CD1-CD2 3.5Å; L216-F263 VanDerWaalsContact CD1-CD2 3.5Å; L216-F263 HydrophobicContact CD1-CE1 4.47Å; L216-F263 HydrophobicContact CD1-CE2 3.97Å; L216-F263 HydrophobicContact CD1-CG 3.55Å; L216-F263 HydrophobicContact CD1-CZ 4.42Å; L216-F263 HydrophobicContact CD2-CE2 4.47Å; L259-F263 HydrophobicContact CD2-CD2 3.88Å; L259-F263 HydrophobicContact CD2-CE2 4.33Å; L259-F263 HydrophobicContact CG-CD2 4.17Å; L259-F263 HydrophobicContact CG-CE2 4.31Å; L259-F263 VanDerWaalsContact O-CD2 3.31Å; L259-F263 WeakPolarHBondContact O-CD2 3.19Å; L259-F263 PolarHBondContact O-N 2.82Å; L259-F263 VanDerWaalsContact O-N 3.14Å; L260-F263 CarbonylContact O-C 3.22Å; L260-F263 PolarHBondContact O-N 3.21Å; V261-F263 VanDerWaalsContact C-N 3.31Å; V261-F263 PolarHBondContact O-N 3.3Å; F263-P265 VanDerWaalsContact C-N 3.32Å; F263-L266 HydrophobicContact CD1-CD1 3.61Å; F263-L266 HydrophobicContact CE1-CD1 4.31Å; F263-L266 HydrophobicContact CG-CD1 4.5Å; F263-L266 PolarHBondContact O-N 2.72Å; F263-L266 VanDerWaalsContact O-N 3.12Å; F263-T267 PolarHBondContact O-N 3.27Å
264H94.1Very high94.3Very high38 Ų3824.2 Ų24.218%0.17613%0.127CC..Hα-helixtrans-55.1-36.7-176.282.7-90000114.9L260 V261 R262 L266 T267 T268 P322L260-H264 PolarHBondContact O-N 2.89Å; L260-H264 VanDerWaalsContact O-N 3.07Å; V261-H264 WeakPolarHBondContact O-CB 3.42Å; V261-H264 PolarHBondContact O-N 3.2Å; V261-H264 PolarHBondContact O-ND1 2.84Å; R262-H264 VanDerWaalsContact C-N 3.33Å; H264-L266 PolarHBondContact O-N 3.31Å; H264-T267 VanDerWaalsContact CA-OG1 3.29Å; H264-T267 WeakPolarHBondContact CA-OG1 3.43Å; H264-T267 PolarHBondContact O-N 2.95Å; H264-T267 PolarHBondContact O-OG1 3.37Å; H264-T268 PolarHBondContact O-N 3.39Å; H264-T268 VanDerWaalsContact O-N 3.09Å; H264-T268 PolarHBondContact O-OG1 2.77Å; H264-T268 VanDerWaalsContact O-OG1 3.06Å; H264-P322 HydrophobicContact CB-CB 3.77Å; H264-P322 HydrophobicContact CB-CG 3.75Å
265P93.1Very high94.4Very high33 Ų3327.8 Ų27.821%0.21415%0.149CC..Hα-helixtrans-62.3-31.3-178.5-22.436.1000112.7M202 F263M202-P265 HydrophobicContact CE-CG 4.04Å; M202-P265 HydrophobicContact SD-CB 3.75Å; M202-P265 HydrophobicContact SD-CG 3.61Å; F263-P265 VanDerWaalsContact C-N 3.32Å
266L92.7Very high94.5Very high4 Ų429.5 Ų29.52%0.02116%0.16CC..Hα-helixtrans-73.4-36.4174.1-61.4173.2000111.8F189 I201 M202 S204 N205 N209 L213 F263 H264 T268F189-L266 HydrophobicContact CE1-CD1 4.26Å; F189-L266 HydrophobicContact CZ-CD1 3.87Å; I201-L266 HydrophobicContact CG2-CD1 3.8Å; M202-L266 HydrophobicContact SD-CG 4.36Å; S204-L266 WeakPolarHBondContact OG-CD2 3.14Å; N205-L266 VanDerWaalsContact OD1-CD2 3.26Å; N205-L266 WeakPolarHBondContact OD1-CD2 3.26Å; N209-L266 WeakPolarHBondContact ND2-CD2 3.31Å; L213-L266 HydrophobicContact CD1-CB 4.49Å; L213-L266 HydrophobicContact CD2-CB 3.92Å; F263-L266 HydrophobicContact CD1-CD1 3.61Å; F263-L266 HydrophobicContact CE1-CD1 4.31Å; F263-L266 HydrophobicContact CG-CD1 4.5Å; F263-L266 PolarHBondContact O-N 2.72Å; F263-L266 VanDerWaalsContact O-N 3.12Å; H264-L266 PolarHBondContact O-N 3.31Å; L266-T268 VanDerWaalsContact C-N 3.34Å
267T92.6Very high94.7Very high6 Ų629.6 Ų29.64%0.03716%0.16CC..Hα-helixtrans-70-30.9-178.361.20000112.9L213 F263 H264 N269 N270 I273 M277L213-T267 HydrophobicContact CD2-CG2 3.82Å; F263-T267 PolarHBondContact O-N 3.27Å; H264-T267 VanDerWaalsContact CA-OG1 3.29Å; H264-T267 WeakPolarHBondContact CA-OG1 3.43Å; H264-T267 PolarHBondContact O-N 2.95Å; H264-T267 PolarHBondContact O-OG1 3.37Å; T267-N269 PolarHBondContact O-N 3.32Å; T267-N270 PolarHBondContact O-N 3.04Å; T267-N270 VanDerWaalsContact O-N 3.07Å; T267-I273 HydrophobicContact CG2-CG2 4.35Å; T267-M277 HydrophobicContact CG2-CE 4.34Å
268T91.6Very high94.7Very high56 Ų5629.9 Ų29.934%0.34416%0.161SC..Hα-helixtrans-59-34.6-175.8-56.10000113.1H264 L266 N320H264-T268 PolarHBondContact O-N 3.39Å; H264-T268 VanDerWaalsContact O-N 3.09Å; H264-T268 PolarHBondContact O-OG1 2.77Å; H264-T268 VanDerWaalsContact O-OG1 3.06Å; L266-T268 VanDerWaalsContact C-N 3.34Å; T268-N320 WeakPolarHBondContact CA-OD1 3.33Å
269N89.1Confident94.7Very high101 Ų10131.7 Ų31.754%0.5417%0.174SC..THydrogen-bonded Turntrans-83.3-13.2-178.4-67.3-7.8000113.3N205 T267N205-N269 PolarHBondContact O-ND2 3.45Å; T267-N269 PolarHBondContact O-N 3.32Å
270N92.6Very high94.8Very high23 Ų2333.4 Ų33.412%0.12318%0.183CC..  trans-111.690.7-171.5-156.5-34.6000112.3L213 T267 F272 I273 L274L213-N270 HydrophobicContact CD1-CB 3.88Å; T267-N270 PolarHBondContact O-N 3.04Å; T267-N270 VanDerWaalsContact O-N 3.07Å; N270-F272 PolarHBondContact O-N 3.48Å; N270-F272 PolarHBondContact OD1-N 3.14Å; N270-I273 HydrophobicContact CB-CB 4.33Å; N270-I273 HydrophobicContact CB-CG1 4.18Å; N270-I273 PolarHBondContact O-N 3Å; N270-L274 PolarHBondContact O-N 3.25Å; N270-L274 VanDerWaalsContact O-N 3.15Å
271N92.8Very high94.8Very high117 Ų11733.3 Ų33.363%0.62618%0.182SC*.Hα-helixtrans-58.8-30.6-178.3-69-9.6000113.8L274 T275N271-L274 PolarHBondContact O-N 2.91Å; N271-T275 WeakPolarHBondContact O-CB 3.36Å; N271-T275 WeakPolarHBondContact O-CG2 3.41Å; N271-T275 PolarHBondContact O-N 2.72Å; N271-T275 PolarHBondContact O-OG1 3.17Å
272F95.1Very high94.8Very high107 Ų10733.3 Ų33.347%0.46918%0.182SC..Hα-helixtrans-65.5-41.2176.7179.3-107000111.5L210 L214 N270 T275 T276L210-F272 HydrophobicContact CD1-CD1 4.06Å; L214-F272 HydrophobicContact CD2-CE1 4.13Å; N270-F272 PolarHBondContact O-N 3.48Å; N270-F272 PolarHBondContact OD1-N 3.14Å; F272-T275 WeakPolarHBondContact CA-OG1 3.34Å; F272-T275 PolarHBondContact O-OG1 3.35Å; F272-T276 HydrophobicContact CD1-CG2 4.5Å; F272-T276 HydrophobicContact CD2-CG2 4.36Å; F272-T276 HydrophobicContact CE1-CG2 4.12Å; F272-T276 HydrophobicContact CE2-CG2 3.97Å; F272-T276 HydrophobicContact CZ-CG2 3.84Å; F272-T276 WeakPolarHBondContact O-CB 3.48Å; F272-T276 VanDerWaalsContact O-CG2 3.27Å; F272-T276 WeakPolarHBondContact O-CG2 3.33Å; F272-T276 PolarHBondContact O-N 2.94Å; F272-T276 PolarHBondContact O-OG1 3.31Å
273I96.2Very high94.9Very high1 Ų136 Ų361%0.00520%0.197CC..Hα-helixtrans-67.8-42.3176.8-61.9-66.4000110.3L213 L214 T267 N270 T275 T276 M277L213-I273 HydrophobicContact CB-CD1 3.78Å; L213-I273 HydrophobicContact CB-CG1 3.72Å; L213-I273 HydrophobicContact CB-CG2 4.39Å; L213-I273 HydrophobicContact CD1-CG1 4.01Å; L214-I273 HydrophobicContact CD2-CD1 3.72Å; L214-I273 HydrophobicContact CG-CD1 3.93Å; T267-I273 HydrophobicContact CG2-CG2 4.35Å; N270-I273 HydrophobicContact CB-CB 4.33Å; N270-I273 HydrophobicContact CB-CG1 4.18Å; N270-I273 PolarHBondContact O-N 3Å; I273-T275 PolarHBondContact O-N 3.48Å; I273-T276 WeakPolarHBondContact CA-OG1 3.47Å; I273-T276 PolarHBondContact O-N 3.02Å; I273-T276 PolarHBondContact O-OG1 3.37Å; I273-M277 HydrophobicContact CG2-CE 3.91Å; I273-M277 HydrophobicContact CG2-CG 4.23Å; I273-M277 HydrophobicContact CG2-SD 4.14Å; I273-M277 WeakPolarHBondContact O-CB 3.42Å; I273-M277 WeakPolarHBondContact O-CG 3.41Å; I273-M277 PolarHBondContact O-N 3.48Å
274L95.8Very high95Very high11 Ų1136 Ų366%0.05820%0.197CC..Hα-helixtrans-59.9-47.3177.4-68.3167.1000112.9N270 N271 M277 L278 L317 G318 N320N270-L274 PolarHBondContact O-N 3.25Å; N270-L274 VanDerWaalsContact O-N 3.15Å; N271-L274 PolarHBondContact O-N 2.91Å; L274-M277 HydrophobicContact CD2-CE 3.67Å; L274-M277 HydrophobicContact CG-CE 4.41Å; L274-M277 PolarHBondContact O-N 2.86Å; L274-L278 WeakPolarHBondContact O-CB 3.18Å; L274-L278 PolarHBondContact O-N 3.38Å; L274-L317 WeakPolarHBondContact CD2-O 3.32Å; L274-G318 VanDerWaalsContact O-CA 3.23Å; L274-G318 WeakPolarHBondContact O-CA 3.04Å; L274-N320 VanDerWaalsContact CD1-ND2 3.25Å; L274-N320 WeakPolarHBondContact CD1-ND2 3.45Å; L274-N320 WeakPolarHBondContact CD1-OD1 3.42Å; L274-N320 WeakPolarHBondContact CD2-OD1 3.36Å
275T95.8Very high95.2Very high78 Ų7834.4 Ų34.448%0.47919%0.189SC..Hα-helixtrans-65.7-40.4178.451.30000112.4N271 F272 I273 L278 C279N271-T275 WeakPolarHBondContact O-CB 3.36Å; N271-T275 WeakPolarHBondContact O-CG2 3.41Å; N271-T275 PolarHBondContact O-N 2.72Å; N271-T275 PolarHBondContact O-OG1 3.17Å; F272-T275 WeakPolarHBondContact CA-OG1 3.34Å; F272-T275 PolarHBondContact O-OG1 3.35Å; I273-T275 PolarHBondContact O-N 3.48Å; T275-L278 PolarHBondContact O-N 3.3Å; T275-C279 PolarHBondContact O-N 2.87Å; T275-C279 PolarHBondContact O-SG 3.47Å; T275-C279 VanDerWaalsContact O-SG 3.37Å
276T96.4Very high95.4Very high37 Ų3734.5 Ų34.523%0.22719%0.188CC..Hα-helixtrans-67.2-41.6176.352.40000112.4F272 I273 L278 C279 L280F272-T276 HydrophobicContact CD1-CG2 4.5Å; F272-T276 HydrophobicContact CD2-CG2 4.36Å; F272-T276 HydrophobicContact CE1-CG2 4.12Å; F272-T276 HydrophobicContact CE2-CG2 3.97Å; F272-T276 HydrophobicContact CZ-CG2 3.84Å; F272-T276 WeakPolarHBondContact O-CB 3.48Å; F272-T276 VanDerWaalsContact O-CG2 3.27Å; F272-T276 WeakPolarHBondContact O-CG2 3.33Å; F272-T276 PolarHBondContact O-N 2.94Å; F272-T276 PolarHBondContact O-OG1 3.31Å; I273-T276 WeakPolarHBondContact CA-OG1 3.47Å; I273-T276 PolarHBondContact O-N 3.02Å; I273-T276 PolarHBondContact O-OG1 3.37Å; T276-L278 VanDerWaalsContact C-N 3.33Å; T276-L278 PolarHBondContact O-N 3.22Å; T276-C279 PolarHBondContact O-N 2.84Å; T276-L280 WeakPolarHBondContact O-CB 3.37Å; T276-L280 PolarHBondContact O-N 3.39Å
277M96.9Very high95.6Very high1 Ų135.6 Ų35.61%0.00519%0.193CC..Hα-helixtrans-58.6-45.2173.8-70.8-168.5-63.700111.6L217 L260 T267 I273 L274 G281 M314 L317L217-M277 HydrophobicContact CD1-CG 3.7Å; L260-M277 HydrophobicContact CD1-SD 4.05Å; T267-M277 HydrophobicContact CG2-CE 4.34Å; I273-M277 HydrophobicContact CG2-CE 3.91Å; I273-M277 HydrophobicContact CG2-CG 4.23Å; I273-M277 HydrophobicContact CG2-SD 4.14Å; I273-M277 WeakPolarHBondContact O-CB 3.42Å; I273-M277 WeakPolarHBondContact O-CG 3.41Å; I273-M277 PolarHBondContact O-N 3.48Å; L274-M277 HydrophobicContact CD2-CE 3.67Å; L274-M277 HydrophobicContact CG-CE 4.41Å; L274-M277 PolarHBondContact O-N 2.86Å; M277-G281 PolarHBondContact O-N 2.88Å; M277-M314 HydrophobicContact CB-CE 3.84Å; M277-M314 HydrophobicContact CB-SD 4.41Å; M277-M314 HydrophobicContact CG-CE 3.48Å; M277-M314 VanDerWaalsContact CG-CE 3.48Å; M277-M314 HydrophobicContact CG-SD 4.38Å; M277-M314 HydrophobicContact SD-CE 4.09Å; M277-L317 HydrophobicContact CE-CB 4.34Å; M277-L317 HydrophobicContact SD-CB 4.18Å
278L96.7Very high95.8Very high6 Ų635.4 Ų35.43%0.03119%0.191CC..Hα-helixtrans-63.6-48.5179.4180141.6000112.3L274 T275 T276 A282 V315 M319 T404 N405 A408L274-L278 WeakPolarHBondContact O-CB 3.18Å; L274-L278 PolarHBondContact O-N 3.38Å; T275-L278 PolarHBondContact O-N 3.3Å; T276-L278 VanDerWaalsContact C-N 3.33Å; T276-L278 PolarHBondContact O-N 3.22Å; L278-A282 WeakPolarHBondContact O-CB 3.16Å; L278-A282 PolarHBondContact O-N 2.97Å; L278-V315 HydrophobicContact CG-CG1 4.46Å; L278-M319 HydrophobicContact CD1-CG 3.98Å; L278-T404 HydrophobicContact CD1-CG2 3.77Å; L278-N405 HydrophobicContact CD2-CB 3.84Å; L278-A408 HydrophobicContact CD2-CB 3.22Å; L278-A408 HydrophobicContact CG-CB 4.02Å
279C96.8Very high96.1Very high39 Ų3932.7 Ų32.726%0.26418%0.175SC..Hα-helixtrans-64.6-43.3178.7-71.40000112.2T275 T276 A282 L283T275-C279 PolarHBondContact O-N 2.87Å; T275-C279 PolarHBondContact O-SG 3.47Å; T275-C279 VanDerWaalsContact O-SG 3.37Å; T276-C279 PolarHBondContact O-N 2.84Å; C279-A282 PolarHBondContact O-N 3.48Å; C279-L283 WeakPolarHBondContact O-CB 3.38Å; C279-L283 WeakPolarHBondContact O-CG 3.46Å; C279-L283 PolarHBondContact O-N 2.97Å
280L97.5Very high96.5Very high36 Ų3630.4 Ų30.419%0.18816%0.162CC..Hα-helixtrans-67.6-42.2-179.3-178.2146.4000111.7T221 Q226 T276 T284 M314T221-L280 HydrophobicContact CG2-CD1 3.63Å; T221-L280 HydrophobicContact CG2-CD2 3.99Å; T221-L280 HydrophobicContact CG2-CG 4.47Å; Q226-L280 HydrophobicContact CB-CD2 3.52Å; Q226-L280 HydrophobicContact CB-CG 4.49Å; Q226-L280 HydrophobicContact CG-CD2 3.73Å; T276-L280 WeakPolarHBondContact O-CB 3.37Å; T276-L280 PolarHBondContact O-N 3.39Å; L280-T284 WeakPolarHBondContact O-CG2 3.36Å; L280-T284 PolarHBondContact O-N 3.43Å; L280-T284 VanDerWaalsContact O-N 3.14Å; L280-T284 PolarHBondContact O-OG1 2.89Å; L280-M314 HydrophobicContact CD2-CE 4.35Å; L280-M314 HydrophobicContact CD2-CG 4.28Å
281G97.3Very high96.7Very high0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-64.9-42.6174.200000113M277 L283 T284 T285 G311 V315M277-G281 PolarHBondContact O-N 2.88Å; G281-L283 VanDerWaalsContact C-N 3.35Å; G281-L283 PolarHBondContact O-N 2.66Å; G281-T284 WeakPolarHBondContact CA-OG1 3.26Å; G281-T284 PolarHBondContact O-N 3.36Å; G281-T284 PolarHBondContact O-OG1 3.35Å; G281-T285 WeakPolarHBondContact O-CG2 3.32Å; G281-T285 PolarHBondContact O-N 3Å; G281-G311 WeakPolarHBondContact CA-O 3.06Å; G281-V315 VanDerWaalsContact C-CG2 3.49Å
282A97.4Very high96.9Very high0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-63.4-43178.100000111.3L278 C279 T284 T285 L286 V315 A408 I411 T412L278-A282 WeakPolarHBondContact O-CB 3.16Å; L278-A282 PolarHBondContact O-N 2.97Å; C279-A282 PolarHBondContact O-N 3.48Å; A282-T284 VanDerWaalsContact C-N 3.33Å; A282-T284 PolarHBondContact O-N 3.07Å; A282-T285 PolarHBondContact O-N 3.29Å; A282-T285 PolarHBondContact O-OG1 2.63Å; A282-L286 PolarHBondContact O-N 3.4Å; A282-V315 HydrophobicContact CB-CG2 4.13Å; A282-V315 VanDerWaalsContact N-CG2 3.28Å; A282-A408 HydrophobicContact CB-CB 3.71Å; A282-I411 HydrophobicContact CB-CG2 4.46Å; A282-I411 WeakPolarHBondContact O-CG2 3.42Å; A282-T412 HydrophobicContact CB-CG2 3.98Å
283L97.6Very high96.9Very high62 Ų6220.6 Ų20.633%0.32511%0.114SC..Hα-helixtrans-57.3-43.8174.1-83.4168.7000112.7C279 G281 F287 W407C279-L283 WeakPolarHBondContact O-CB 3.38Å; C279-L283 WeakPolarHBondContact O-CG 3.46Å; C279-L283 PolarHBondContact O-N 2.97Å; G281-L283 VanDerWaalsContact C-N 3.35Å; G281-L283 PolarHBondContact O-N 2.66Å; L283-F287 VanDerWaalsContact O-CB 3.24Å; L283-F287 WeakPolarHBondContact O-CB 3.41Å; L283-F287 PolarHBondContact O-N 3.02Å; L283-W407 HydrophobicContact CD1-CH2 4.29Å; L283-W407 HydrophobicContact CD2-CH2 3.47Å; L283-W407 VanDerWaalsContact CD2-CH2 3.47Å; L283-W407 HydrophobicContact CD2-CZ2 4.16Å; L283-W407 HydrophobicContact CD2-CZ3 4.46Å; L283-W407 HydrophobicContact CG-CH2 3.6Å; L283-W407 HydrophobicContact CG-CZ3 4.14Å
284T97.6Very high96.9Very high1 Ų122.1 Ų22.11%0.00612%0.124CC..Hα-helixtrans-68.6-41.7-179.149.70000112.5Q226 F227 L280 G281 A282 L286 F287 T288 G311Q226-T284 HydrophobicContact CB-CG2 3.85Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.27Å; Q226-T284 PolarHBondContact OE1-OG1 3.06Å; F227-T284 HydrophobicContact CB-CG2 3.46Å; F227-T284 VanDerWaalsContact CB-CG2 3.46Å; L280-T284 WeakPolarHBondContact O-CG2 3.36Å; L280-T284 PolarHBondContact O-N 3.43Å; L280-T284 VanDerWaalsContact O-N 3.14Å; L280-T284 PolarHBondContact O-OG1 2.89Å; G281-T284 WeakPolarHBondContact CA-OG1 3.26Å; G281-T284 PolarHBondContact O-N 3.36Å; G281-T284 PolarHBondContact O-OG1 3.35Å; A282-T284 VanDerWaalsContact C-N 3.33Å; A282-T284 PolarHBondContact O-N 3.07Å; T284-L286 VanDerWaalsContact C-N 3.27Å; T284-L286 PolarHBondContact O-N 3.16Å; T284-F287 PolarHBondContact O-N 3.43Å; T284-T288 WeakPolarHBondContact O-CB 3.22Å; T284-T288 WeakPolarHBondContact O-CG2 3.33Å; T284-T288 PolarHBondContact O-N 2.92Å; T284-T288 VanDerWaalsContact O-N 3.08Å; T284-T288 PolarHBondContact O-OG1 3.08Å; T284-G311 WeakPolarHBondContact OG1-CA 3.42Å
285T97.2Very high96.9Very high3 Ų323 Ų232%0.01813%0.127CC..Hα-helixtrans-54.7-47.1177.4640000111.5G281 A282 A289 S308 L312G281-T285 WeakPolarHBondContact O-CG2 3.32Å; G281-T285 PolarHBondContact O-N 3Å; A282-T285 PolarHBondContact O-N 3.29Å; A282-T285 PolarHBondContact O-OG1 2.63Å; T285-A289 WeakPolarHBondContact O-CB 3.33Å; T285-A289 PolarHBondContact O-N 3.31Å; T285-A289 VanDerWaalsContact O-N 3.15Å; T285-S308 WeakPolarHBondContact CG2-O 3.46Å; T285-L312 HydrophobicContact CG2-CB 4.14Å
286L97.4Very high97Very high36 Ų3621.3 Ų21.319%0.18812%0.116CC..Hα-helixtrans-72.9-51-178-17672.4000112.3A282 T284 T288 A289 I290 I411 I414A282-L286 PolarHBondContact O-N 3.4Å; T284-L286 VanDerWaalsContact C-N 3.27Å; T284-L286 PolarHBondContact O-N 3.16Å; L286-T288 VanDerWaalsContact C-N 3.29Å; L286-T288 PolarHBondContact O-N 3.24Å; L286-A289 PolarHBondContact O-N 3.27Å; L286-I290 HydrophobicContact CD1-CD1 4Å; L286-I290 HydrophobicContact CD1-CG1 4.36Å; L286-I290 HydrophobicContact CD2-CD1 4.27Å; L286-I290 HydrophobicContact CG-CD1 3.75Å; L286-I290 HydrophobicContact CG-CG1 4.4Å; L286-I290 WeakPolarHBondContact O-CG1 3.27Å; L286-I290 PolarHBondContact O-N 3.38Å; L286-I411 HydrophobicContact CB-CG2 3.38Å; L286-I411 HydrophobicContact CD1-CG2 4.18Å; L286-I411 HydrophobicContact CD2-CD1 4.03Å; L286-I411 HydrophobicContact CD2-CG1 4.23Å; L286-I411 HydrophobicContact CD2-CG2 3.75Å; L286-I411 HydrophobicContact CG-CG2 3.93Å; L286-I414 HydrophobicContact CD1-CB 4.37Å; L286-I414 HydrophobicContact CD1-CG2 3.83Å
287F97.8Very high97Very high27 Ų2720.2 Ų20.212%0.11811%0.109CC..Hα-helixtrans-58-46-174.4178.8-97.3000111.1F227 H230 L283 T284 C291 F522F227-F287 HydrophobicContact CD2-CB 4.45Å; F227-F287 HydrophobicContact CD2-CD1 4.33Å; F227-F287 HydrophobicContact CD2-CG 4.22Å; F227-F287 HydrophobicContact CE2-CD2 4.21Å; F227-F287 HydrophobicContact CE2-CG 4.2Å; H230-F287 AromaticContact CD2-CE1 3.73Å; H230-F287 AromaticContact CE1-CE1 3.65Å; H230-F287 AromaticContact NE2-CE1 3.25Å; H230-F287 VanDerWaalsContact NE2-CE1 3.25Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.36Å; H230-F287 AromaticContact NE2-CZ 3.9Å; L283-F287 VanDerWaalsContact O-CB 3.24Å; L283-F287 WeakPolarHBondContact O-CB 3.41Å; L283-F287 PolarHBondContact O-N 3.02Å; T284-F287 PolarHBondContact O-N 3.43Å; F287-C291 PolarHBondContact O-N 3.02Å; F287-C291 VanDerWaalsContact O-N 3.1Å; F287-C291 PolarHBondContact O-SG 2.96Å; F287-F522 HydrophobicContact CE2-CE1 4.35Å; F287-F522 HydrophobicContact CE2-CZ 4.21Å
288T96.9Very high97Very high1 Ų120.2 Ų20.21%0.00611%0.109CC..Hα-helixtrans-73.1-35.6179.659.80000112.8T284 L286 C291 A292 F304 S307 S308T284-T288 WeakPolarHBondContact O-CB 3.22Å; T284-T288 WeakPolarHBondContact O-CG2 3.33Å; T284-T288 PolarHBondContact O-N 2.92Å; T284-T288 VanDerWaalsContact O-N 3.08Å; T284-T288 PolarHBondContact O-OG1 3.08Å; L286-T288 VanDerWaalsContact C-N 3.29Å; L286-T288 PolarHBondContact O-N 3.24Å; T288-C291 PolarHBondContact O-N 3.42Å; T288-A292 PolarHBondContact O-N 3.31Å; T288-F304 HydrophobicContact CG2-CD1 4.25Å; T288-S307 WeakPolarHBondContact CG2-OG 3.39Å; T288-S308 WeakPolarHBondContact OG1-CA 3.29Å; T288-S308 WeakPolarHBondContact OG1-CB 3.28Å; T288-S308 PolarHBondContact OG1-N 3.08Å
289A97.1Very high96.9Very high0 Ų020 Ų200%011%0.108CC..Hα-helixtrans-63.7-41.9174.300000111.9T285 L286 C291 A292 L293 M418 Y422T285-A289 WeakPolarHBondContact O-CB 3.33Å; T285-A289 PolarHBondContact O-N 3.31Å; T285-A289 VanDerWaalsContact O-N 3.15Å; L286-A289 PolarHBondContact O-N 3.27Å; A289-C291 VanDerWaalsContact C-N 3.32Å; A289-C291 PolarHBondContact O-N 3.08Å; A289-A292 WeakPolarHBondContact O-CB 3.45Å; A289-A292 PolarHBondContact O-N 3.34Å; A289-L293 PolarHBondContact O-N 3.46Å; A289-M418 HydrophobicContact CB-CB 3.76Å; A289-Y422 HydrophobicContact CB-CE1 4.29Å
290I97.1Very high96.9Very high52 Ų5221 Ų2127%0.26711%0.107SC..Hα-helixtrans-61.1-42.3173.9-68.7169.5000110.6L286 L293 S523L286-I290 HydrophobicContact CD1-CD1 4Å; L286-I290 HydrophobicContact CD1-CG1 4.36Å; L286-I290 HydrophobicContact CD2-CD1 4.27Å; L286-I290 HydrophobicContact CG-CD1 3.75Å; L286-I290 HydrophobicContact CG-CG1 4.4Å; L286-I290 WeakPolarHBondContact O-CG1 3.27Å; L286-I290 PolarHBondContact O-N 3.38Å; I290-L293 WeakPolarHBondContact O-CA 3.49Å; I290-L293 PolarHBondContact O-N 3.39Å; I290-S523 PolarHBondContact O-OG 2.88Å
291C96.9Very high96.9Very high0 Ų019.3 Ų19.30%010%0.098CC..Hα-helixtrans-62.5-44.1176.5-66.70000111.4F287 T288 A289 L293 T294 Q295 F304 L526F287-C291 PolarHBondContact O-N 3.02Å; F287-C291 VanDerWaalsContact O-N 3.1Å; F287-C291 PolarHBondContact O-SG 2.96Å; T288-C291 PolarHBondContact O-N 3.42Å; A289-C291 VanDerWaalsContact C-N 3.32Å; A289-C291 PolarHBondContact O-N 3.08Å; C291-L293 PolarHBondContact O-N 2.86Å; C291-T294 PolarHBondContact O-N 2.98Å; C291-Q295 VanDerWaalsContact O-CG 3.29Å; C291-Q295 WeakPolarHBondContact O-CG 3.43Å; C291-F304 HydrophobicContact CB-CD1 4.05Å; C291-F304 HydrophobicContact CB-CD2 4.38Å; C291-F304 HydrophobicContact CB-CE1 4.07Å; C291-F304 HydrophobicContact CB-CE2 4.44Å; C291-F304 HydrophobicContact CB-CG 4.23Å; C291-F304 HydrophobicContact CB-CZ 4.31Å; C291-L526 HydrophobicContact CB-CD2 3.69Å
292A96.7Very high96.9Very high0 Ų019.5 Ų19.50%010%0.099CC..Hα-helixtrans-57-33.9178.200000113T288 A289 T294 I301 F304 Y422T288-A292 PolarHBondContact O-N 3.31Å; A289-A292 WeakPolarHBondContact O-CB 3.45Å; A289-A292 PolarHBondContact O-N 3.34Å; A292-T294 VanDerWaalsContact C-N 3.34Å; A292-T294 PolarHBondContact O-N 3.5Å; A292-I301 HydrophobicContact CB-CG2 4.45Å; A292-F304 HydrophobicContact CB-CB 3.78Å; A292-Y422 HydrophobicContact CB-CD1 3.69Å; A292-Y422 HydrophobicContact CB-CE1 4.28Å; A292-Y422 HydrophobicContact CB-CG 3.98Å
293L95.7Very high96.8Very high41 Ų4119.5 Ų19.522%0.21510%0.099CC..THydrogen-bonded Turntrans-12.3-71158.85787.4000115.3A289 I290 C291 M418 M421 R425A289-L293 PolarHBondContact O-N 3.46Å; I290-L293 WeakPolarHBondContact O-CA 3.49Å; I290-L293 PolarHBondContact O-N 3.39Å; C291-L293 PolarHBondContact O-N 2.86Å; L293-M418 HydrophobicContact CD1-SD 3.73Å; L293-M418 HydrophobicContact CD2-CB 4.27Å; L293-M418 HydrophobicContact CD2-SD 3.68Å; L293-M418 HydrophobicContact CG-SD 4.22Å; L293-M421 HydrophobicContact CD2-CB 3.44Å; L293-M421 VanDerWaalsContact CD2-CB 3.44Å; L293-M421 HydrophobicContact CD2-CG 4.38Å; L293-M421 HydrophobicContact CD2-SD 4.15Å; L293-R425 VanDerWaalsContact O-CD 3.25Å; L293-R425 WeakPolarHBondContact O-CD 3.44Å; L293-R425 PolarHBondContact O-NE 3.24Å; L293-R425 PolarHBondContact O-NH1 3.25Å
294T95.9Very high96.8Very high34 Ų3416.7 Ų16.721%0.2098%0.084CC..THydrogen-bonded Turntrans-117.3-0-160.359.40000113.4C291 A292 R425 S523 T524C291-T294 PolarHBondContact O-N 2.98Å; A292-T294 VanDerWaalsContact C-N 3.34Å; A292-T294 PolarHBondContact O-N 3.5Å; T294-R425 VanDerWaalsContact C-NH2 3.33Å; T294-R425 PolarHBondContact O-NH2 3.28Å; T294-R425 VanDerWaalsContact O-NH2 3.15Å; T294-S523 WeakPolarHBondContact CG2-OG 3.31Å; T294-S523 VanDerWaalsContact OG1-C 3.29Å; T294-S523 WeakPolarHBondContact OG1-CB 3.47Å; T294-S523 PolarHBondContact OG1-OG 3.21Å; T294-T524 HydrophobicContact CG2-CG2 4.4Å; T294-T524 WeakPolarHBondContact OG1-CA 3.39Å; T294-T524 WeakPolarHBondContact OG1-CG2 3.38Å; T294-T524 PolarHBondContact OG1-N 3.04Å; T294-T524 VanDerWaalsContact OG1-N 3.09Å
295Q96.8Very high96.7Very high28 Ų2816.7 Ų16.713%0.1319%0.085CC..  trans-68.9145.7179.1-64.7-62.2-26.100111.6C291 I301 F304 R425 T524C291-Q295 VanDerWaalsContact O-CG 3.29Å; C291-Q295 WeakPolarHBondContact O-CG 3.43Å; Q295-I301 HydrophobicContact CB-CG1 3.9Å; Q295-I301 WeakPolarHBondContact O-CD1 3.37Å; Q295-F304 HydrophobicContact CG-CD2 4.04Å; Q295-F304 HydrophobicContact CG-CE2 3.84Å; Q295-R425 PolarHBondContact O-NE 2.75Å; Q295-R425 PolarHBondContact O-NH2 2.9Å; Q295-T524 PolarHBondContact NE2-O 2.98Å
296N96.5Very high96.7Very high44 Ų4416.6 Ų16.624%0.2358%0.084CC..  trans-106.9-26.5-175.9-63.5-39.4000113.3I298 I356 R425N296-I298 PolarHBondContact O-N 2.92Å; N296-I356 HydrophobicContact CB-CG1 4.47Å; N296-I356 WeakPolarHBondContact O-CG1 3.15Å; N296-I356 WeakPolarHBondContact O-CG2 3.5Å; N296-I356 PolarHBondContact O-N 3.24Å; N296-R425 PolarHBondContact OD1-NH2 2.89Å; N296-R425 VanDerWaalsContact OD1-NH2 3.1Å
297D96.8Very high96.6Very high14 Ų1415 Ų158%0.0758%0.076CC..BIsolated β-bridgetrans-76.4121.9176.2172.4-1.5000109.5K299 K300 I301D297-K299 VanDerWaalsContact C-N 3.26Å; D297-K299 PolarHBondContact O-N 2.99Å; D297-K299 WeakPolarHBondContact OD1-CB 3.28Å; D297-K299 PolarHBondContact OD1-N 2.81Å; D297-K300 HydrophobicContact CB-CB 4.09Å; D297-K300 HydrophobicContact CB-CD 4.01Å; D297-K300 HydrophobicContact CB-CG 4.18Å; D297-K300 PolarHBondContact O-N 3.47Å; D297-K300 WeakPolarHBondContact OD2-CD 3.35Å; D297-K300 WeakPolarHBondContact OD2-CE 3.5Å; D297-K300 WeakPolarHBondContact OD2-CG 3.14Å; D297-K300 IonicContact OD2-NZ 2.82Å; D297-I301 WeakPolarHBondContact O-CG1 3.1Å; D297-I301 PolarHBondContact O-N 2.92Å
298I96.6Very high96.6Very high1 Ų113.9 Ų13.91%0.0057%0.072CC..Hα-helixtrans-55.5-42.9179.9-66.6-176.6000111.2N296 K300 I301 I302 Q354 I356 M359 V430N296-I298 PolarHBondContact O-N 2.92Å; I298-K300 VanDerWaalsContact C-N 3.32Å; I298-K300 PolarHBondContact O-N 3.4Å; I298-I301 PolarHBondContact O-N 2.72Å; I298-I302 HydrophobicContact CG2-CD1 3.69Å; I298-I302 HydrophobicContact CG2-CG1 4.27Å; I298-I302 WeakPolarHBondContact O-CG1 3.47Å; I298-I302 PolarHBondContact O-N 3.4Å; I298-Q354 PolarHBondContact N-O 3.36Å; I298-Q354 VanDerWaalsContact N-O 3.15Å; I298-I356 HydrophobicContact CD1-CG2 3.86Å; I298-I356 HydrophobicContact CG1-CG2 3.21Å; I298-M359 HydrophobicContact CD1-CE 3.64Å; I298-M359 HydrophobicContact CD1-SD 3.32Å; I298-M359 WeakPolarHBondContact CD1-SD 3.48Å; I298-M359 HydrophobicContact CG1-CE 4.4Å; I298-M359 HydrophobicContact CG1-SD 4.38Å; I298-V430 HydrophobicContact CD1-CG2 3.73Å; I298-V430 HydrophobicContact CG1-CG2 4.42Å
299K96.4Very high96.6Very high2 Ų214 Ų141%0.0097%0.072CC..Hα-helixtrans-63.6-42.2-177.7-60.9-166.5-154.8176.20110.6M237 G239 T241 D297 I302 A303 I347M237-K299 HydrophobicContact CB-CB 3.93Å; M237-K299 HydrophobicContact CB-CD 4.33Å; M237-K299 HydrophobicContact CG-CB 3.97Å; M237-K299 PolarHBondContact O-NZ 2.97Å; M237-K299 HydrophobicContact SD-CB 3.88Å; G239-K299 PolarHBondContact O-NZ 3.49Å; T241-K299 HydrophobicContact CG2-CD 4.08Å; D297-K299 VanDerWaalsContact C-N 3.26Å; D297-K299 PolarHBondContact O-N 2.99Å; D297-K299 WeakPolarHBondContact OD1-CB 3.28Å; D297-K299 PolarHBondContact OD1-N 2.81Å; K299-I302 PolarHBondContact O-N 3.05Å; K299-A303 VanDerWaalsContact O-CB 3.27Å; K299-A303 WeakPolarHBondContact O-CB 3.35Å; K299-A303 PolarHBondContact O-N 2.63Å; K299-I347 HydrophobicContact CD-CD1 4.49Å; K299-I347 HydrophobicContact CG-CD1 4.03Å
300K95.8Very high96.5Very high60 Ų6014.1 Ų14.126%0.2617%0.072SC..Hα-helixtrans-65.1-39176.7-73.2174-170.8163.30112.3M237 D297 I298 I302 A303 F304M237-K300 HydrophobicContact CB-CG 4.42Å; M237-K300 HydrophobicContact CG-CG 4.31Å; D297-K300 HydrophobicContact CB-CB 4.09Å; D297-K300 HydrophobicContact CB-CD 4.01Å; D297-K300 HydrophobicContact CB-CG 4.18Å; D297-K300 PolarHBondContact O-N 3.47Å; D297-K300 WeakPolarHBondContact OD2-CD 3.35Å; D297-K300 WeakPolarHBondContact OD2-CE 3.5Å; D297-K300 WeakPolarHBondContact OD2-CG 3.14Å; D297-K300 IonicContact OD2-NZ 2.82Å; I298-K300 VanDerWaalsContact C-N 3.32Å; I298-K300 PolarHBondContact O-N 3.4Å; K300-I302 VanDerWaalsContact C-N 3.35Å; K300-A303 WeakPolarHBondContact O-CB 3.5Å; K300-A303 PolarHBondContact O-N 3.46Å; K300-F304 HydrophobicContact CB-CE2 4.34Å; K300-F304 WeakPolarHBondContact O-CD2 3.46Å; K300-F304 PolarHBondContact O-N 3.12Å
301I97.4Very high96.5Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-62.2-45.8174.4-57.9163.5000110A292 Q295 D297 I298 A303 F304 S305 I356 Y422 I426A292-I301 HydrophobicContact CB-CG2 4.45Å; Q295-I301 HydrophobicContact CB-CG1 3.9Å; Q295-I301 WeakPolarHBondContact O-CD1 3.37Å; D297-I301 WeakPolarHBondContact O-CG1 3.1Å; D297-I301 PolarHBondContact O-N 2.92Å; I298-I301 PolarHBondContact O-N 2.72Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 3.31Å; I301-F304 PolarHBondContact O-N 2.88Å; I301-S305 WeakPolarHBondContact O-CB 3.42Å; I301-S305 PolarHBondContact O-N 3.47Å; I301-S305 PolarHBondContact O-OG 3.35Å; I301-I356 HydrophobicContact CD1-CD1 4.11Å; I301-I356 HydrophobicContact CD1-CG2 4.31Å; I301-Y422 HydrophobicContact CG2-CD2 4.49Å; I301-I426 HydrophobicContact CB-CD1 4.29Å; I301-I426 HydrophobicContact CD1-CG1 4.24Å; I301-I426 HydrophobicContact CG2-CD1 3.69Å; I301-I426 HydrophobicContact CG2-CG1 4Å
302I96.8Very high96.5Very high4 Ų412 Ų122%0.0216%0.062CC..Hα-helixtrans-63.9-40.1177.7-58.9167.6000110.3I298 K299 K300 S305 T306 L339 F340 I426I298-I302 HydrophobicContact CG2-CD1 3.69Å; I298-I302 HydrophobicContact CG2-CG1 4.27Å; I298-I302 WeakPolarHBondContact O-CG1 3.47Å; I298-I302 PolarHBondContact O-N 3.4Å; K299-I302 PolarHBondContact O-N 3.05Å; K300-I302 VanDerWaalsContact C-N 3.35Å; I302-S305 VanDerWaalsContact C-OG 3.3Å; I302-S305 VanDerWaalsContact CA-OG 3.31Å; I302-S305 WeakPolarHBondContact CA-OG 3.45Å; I302-S305 CarbonylContact O-C 3.49Å; I302-S305 PolarHBondContact O-N 3.07Å; I302-S305 PolarHBondContact O-OG 2.51Å; I302-T306 PolarHBondContact O-N 2.77Å; I302-L339 HydrophobicContact CD1-CB 4.19Å; I302-L339 HydrophobicContact CG2-CB 4.46Å; I302-F340 HydrophobicContact CB-CD1 4.39Å; I302-F340 HydrophobicContact CB-CE1 3.87Å; I302-F340 HydrophobicContact CB-CE2 4.38Å; I302-F340 HydrophobicContact CB-CZ 3.87Å; I302-F340 HydrophobicContact CD1-CD1 4.25Å; I302-F340 HydrophobicContact CG2-CD1 4.08Å; I302-F340 HydrophobicContact CG2-CD2 3.76Å; I302-F340 HydrophobicContact CG2-CE1 3.72Å; I302-F340 HydrophobicContact CG2-CE2 3.38Å; I302-F340 HydrophobicContact CG2-CG 4.1Å; I302-F340 HydrophobicContact CG2-CZ 3.37Å; I302-I426 HydrophobicContact CG1-CD1 4.49Å
303A95.6Very high96.6Very high0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-59.8-47.9175.300000113.4L233 M237 K299 K300 I301 S305 T306 S307L233-A303 HydrophobicContact CD2-CB 3.5Å; L233-A303 WeakPolarHBondContact CD2-O 3.45Å; M237-A303 HydrophobicContact CE-CB 3.51Å; M237-A303 HydrophobicContact CG-CB 3.9Å; M237-A303 HydrophobicContact SD-CB 3.88Å; K299-A303 VanDerWaalsContact O-CB 3.27Å; K299-A303 WeakPolarHBondContact O-CB 3.35Å; K299-A303 PolarHBondContact O-N 2.63Å; K300-A303 WeakPolarHBondContact O-CB 3.5Å; K300-A303 PolarHBondContact O-N 3.46Å; I301-A303 VanDerWaalsContact C-N 3.32Å; I301-A303 PolarHBondContact O-N 3.31Å; A303-S305 VanDerWaalsContact C-N 3.26Å; A303-S305 PolarHBondContact O-N 2.95Å; A303-T306 PolarHBondContact O-N 3.01Å; A303-T306 VanDerWaalsContact O-N 3.12Å; A303-T306 PolarHBondContact O-OG1 2.93Å; A303-S307 PolarHBondContact O-N 3.34Å; A303-S307 VanDerWaalsContact O-N 3.15Å
304F96.9Very high96.6Very high2 Ų210 Ų101%0.0095%0.051CC..Hα-helixtrans-64.8-35.8174.9-73.9-59.2000111.8P234 T288 C291 A292 Q295 K300 I301 T306 S307 S308 L526P234-F304 HydrophobicContact CB-CE1 4.12Å; P234-F304 HydrophobicContact CB-CE2 4.16Å; P234-F304 HydrophobicContact CB-CZ 3.58Å; P234-F304 HydrophobicContact CG-CD1 4.07Å; P234-F304 HydrophobicContact CG-CE1 3.22Å; P234-F304 HydrophobicContact CG-CE2 4.13Å; P234-F304 HydrophobicContact CG-CZ 3.22Å; T288-F304 HydrophobicContact CG2-CD1 4.25Å; C291-F304 HydrophobicContact CB-CD1 4.05Å; C291-F304 HydrophobicContact CB-CD2 4.38Å; C291-F304 HydrophobicContact CB-CE1 4.07Å; C291-F304 HydrophobicContact CB-CE2 4.44Å; C291-F304 HydrophobicContact CB-CG 4.23Å; C291-F304 HydrophobicContact CB-CZ 4.31Å; A292-F304 HydrophobicContact CB-CB 3.78Å; Q295-F304 HydrophobicContact CG-CD2 4.04Å; Q295-F304 HydrophobicContact CG-CE2 3.84Å; K300-F304 HydrophobicContact CB-CE2 4.34Å; K300-F304 WeakPolarHBondContact O-CD2 3.46Å; K300-F304 PolarHBondContact O-N 3.12Å; I301-F304 PolarHBondContact O-N 2.88Å; F304-T306 VanDerWaalsContact C-N 3.25Å; F304-T306 PolarHBondContact O-N 3.37Å; F304-S307 PolarHBondContact O-N 3.18Å; F304-S308 PolarHBondContact O-N 3.02Å; F304-L526 HydrophobicContact CE1-CD2 3.8Å; F304-L526 HydrophobicContact CE2-CD2 3.68Å; F304-L526 HydrophobicContact CZ-CD1 3.8Å; F304-L526 HydrophobicContact CZ-CD2 3.12Å; F304-L526 HydrophobicContact CZ-CG 4.09Å
305S96.6Very high96.7Very high2 Ų28.4 Ų8.41%0.0144%0.042CC..Hα-helixtrans-69.7-18.6175.377.40000113.6I301 I302 A303 S308 Q309 K336 Y422I301-S305 WeakPolarHBondContact O-CB 3.42Å; I301-S305 PolarHBondContact O-N 3.47Å; I301-S305 PolarHBondContact O-OG 3.35Å; I302-S305 VanDerWaalsContact C-OG 3.3Å; I302-S305 VanDerWaalsContact CA-OG 3.31Å; I302-S305 WeakPolarHBondContact CA-OG 3.45Å; I302-S305 CarbonylContact O-C 3.49Å; I302-S305 PolarHBondContact O-N 3.07Å; I302-S305 PolarHBondContact O-OG 2.51Å; A303-S305 VanDerWaalsContact C-N 3.26Å; A303-S305 PolarHBondContact O-N 2.95Å; S305-S308 PolarHBondContact O-OG 3.06Å; S305-S308 VanDerWaalsContact O-OG 3.12Å; S305-Q309 WeakPolarHBondContact O-CG 3.25Å; S305-K336 VanDerWaalsContact CB-NZ 3.32Å; S305-K336 PolarHBondContact O-NZ 3.44Å; S305-K336 PolarHBondContact OG-NZ 3.39Å; S305-Y422 VanDerWaalsContact CB-CZ 3.48Å; S305-Y422 WeakPolarHBondContact CB-OH 3.23Å
306T96.3Very high96.7Very high0 Ų07.1 Ų7.10%04%0.036CC..Hα-helixtrans-80.6-45.2170.7580000110H248 I302 A303 F304 S308 Q309 L310 K336 F340H248-T306 WeakPolarHBondContact O-CG2 3.44Å; I302-T306 PolarHBondContact O-N 2.77Å; A303-T306 PolarHBondContact O-N 3.01Å; A303-T306 VanDerWaalsContact O-N 3.12Å; A303-T306 PolarHBondContact O-OG1 2.93Å; F304-T306 VanDerWaalsContact C-N 3.25Å; F304-T306 PolarHBondContact O-N 3.37Å; T306-S308 PolarHBondContact O-N 3.13Å; T306-Q309 PolarHBondContact O-N 3.37Å; T306-Q309 VanDerWaalsContact O-N 3.08Å; T306-L310 WeakPolarHBondContact O-CD1 3.27Å; T306-L310 VanDerWaalsContact O-CG 3.27Å; T306-L310 WeakPolarHBondContact O-CG 3.21Å; T306-L310 PolarHBondContact O-N 2.84Å; T306-K336 HydrophobicContact CG2-CD 3.76Å; T306-K336 HydrophobicContact CG2-CG 4.04Å; T306-F340 HydrophobicContact CG2-CE2 4.3Å
307S96Very high96.7Very high4 Ų45.3 Ų5.33%0.0283%0.026CC..Hα-helixtrans-56.6-37.4174.2-176.40000111.9A225 T288 A303 F304 L310 G311A225-S307 PolarHBondContact O-OG 3.47Å; T288-S307 WeakPolarHBondContact CG2-OG 3.39Å; A303-S307 PolarHBondContact O-N 3.34Å; A303-S307 VanDerWaalsContact O-N 3.15Å; F304-S307 PolarHBondContact O-N 3.18Å; S307-L310 PolarHBondContact O-N 2.94Å; S307-G311 PolarHBondContact O-N 3.15Å
308S96.8Very high96.7Very high3 Ų35 Ų52%0.0213%0.026CC..Hα-helixtrans-66.1-38.8175.975.20000113.5T285 T288 F304 S305 T306 L312 Y422T285-S308 WeakPolarHBondContact CG2-O 3.46Å; T288-S308 WeakPolarHBondContact OG1-CA 3.29Å; T288-S308 WeakPolarHBondContact OG1-CB 3.28Å; T288-S308 PolarHBondContact OG1-N 3.08Å; F304-S308 PolarHBondContact O-N 3.02Å; S305-S308 PolarHBondContact O-OG 3.06Å; S305-S308 VanDerWaalsContact O-OG 3.12Å; T306-S308 PolarHBondContact O-N 3.13Å; S308-L312 PolarHBondContact O-N 3.28Å; S308-L312 VanDerWaalsContact O-N 3.13Å; S308-Y422 PolarHBondContact OG-OH 3.2Å
309Q97Very high96.5Very high4 Ų45.8 Ų5.82%0.0193%0.03CC..Hα-helixtrans-73.4-34.2175.9-62.7-51.5-62.300111.9S305 T306 G311 L312 M313 H328S305-Q309 WeakPolarHBondContact O-CG 3.25Å; T306-Q309 PolarHBondContact O-N 3.37Å; T306-Q309 VanDerWaalsContact O-N 3.08Å; Q309-G311 VanDerWaalsContact C-N 3.32Å; Q309-L312 WeakPolarHBondContact O-CA 3.32Å; Q309-L312 WeakPolarHBondContact O-CB 3.44Å; Q309-L312 PolarHBondContact O-N 2.98Å; Q309-L312 VanDerWaalsContact O-N 3.11Å; Q309-M313 WeakPolarHBondContact O-CG 3.38Å; Q309-M313 PolarHBondContact O-N 3.18Å; Q309-H328 PolarHBondContact OE1-NE2 2.84Å; Q309-H328 VanDerWaalsContact OE1-NE2 3.15Å
310L95.8Very high96.5Very high1 Ų18.2 Ų8.21%0.0054%0.043CC..Hα-helixtrans-67.3-35.1174.5-69.4159.6000111.7Q226 V253 V254 I257 T306 S307 L312 M313 M314Q226-L310 PolarHBondContact NE2-O 2.69Å; V253-L310 HydrophobicContact CB-CD1 3.83Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.47Å; V253-L310 HydrophobicContact CG1-CG 4.37Å; V254-L310 HydrophobicContact CG2-CD2 4.21Å; I257-L310 HydrophobicContact CD1-CB 3.9Å; I257-L310 HydrophobicContact CD1-CD2 3.52Å; I257-L310 HydrophobicContact CD1-CG 4.32Å; I257-L310 VanDerWaalsContact CD1-O 3.23Å; I257-L310 WeakPolarHBondContact CD1-O 3.33Å; I257-L310 HydrophobicContact CG1-CD2 4.39Å; T306-L310 WeakPolarHBondContact O-CD1 3.27Å; T306-L310 VanDerWaalsContact O-CG 3.27Å; T306-L310 WeakPolarHBondContact O-CG 3.21Å; T306-L310 PolarHBondContact O-N 2.84Å; S307-L310 PolarHBondContact O-N 2.94Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-M313 HydrophobicContact CD2-SD 3.91Å; L310-M313 PolarHBondContact O-N 3.08Å; L310-M314 PolarHBondContact O-N 3.15Å
311G97.3Very high96.4Very high0 Ų07.4 Ų7.40%04%0.04CC..Hα-helixtrans-62.3-40.1167.800000112G281 T284 S307 Q309 M313 M314 V315G281-G311 WeakPolarHBondContact CA-O 3.06Å; T284-G311 WeakPolarHBondContact OG1-CA 3.42Å; S307-G311 PolarHBondContact O-N 3.15Å; Q309-G311 VanDerWaalsContact C-N 3.32Å; G311-M313 PolarHBondContact O-N 3.12Å; G311-M314 WeakPolarHBondContact O-CA 3.4Å; G311-M314 WeakPolarHBondContact O-CB 3.39Å; G311-M314 PolarHBondContact O-N 3.37Å; G311-M314 VanDerWaalsContact O-N 3.1Å; G311-V315 WeakPolarHBondContact O-CG2 3.17Å; G311-V315 PolarHBondContact O-N 3.26Å
312L97.1Very high96.4Very high7 Ų77.8 Ų7.84%0.0374%0.042CC..Hα-helixtrans-63.4-42.4176.1-174.672.1000110.9T285 S308 Q309 L310 M314 V315 T316 K392 I395 I396T285-L312 HydrophobicContact CG2-CB 4.14Å; S308-L312 PolarHBondContact O-N 3.28Å; S308-L312 VanDerWaalsContact O-N 3.13Å; Q309-L312 WeakPolarHBondContact O-CA 3.32Å; Q309-L312 WeakPolarHBondContact O-CB 3.44Å; Q309-L312 PolarHBondContact O-N 2.98Å; Q309-L312 VanDerWaalsContact O-N 3.11Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L312-M314 VanDerWaalsContact C-N 3.28Å; L312-M314 PolarHBondContact O-N 2.82Å; L312-V315 WeakPolarHBondContact O-CB 3.07Å; L312-V315 PolarHBondContact O-N 2.67Å; L312-T316 WeakPolarHBondContact O-CG2 3.38Å; L312-T316 PolarHBondContact O-N 3.25Å; L312-K392 HydrophobicContact CD2-CG 4.11Å; L312-I395 HydrophobicContact CD1-CG2 3.82Å; L312-I395 HydrophobicContact CD2-CD1 4.26Å; L312-I395 HydrophobicContact CD2-CG2 4.28Å; L312-I395 HydrophobicContact CG-CG2 3.97Å; L312-I396 HydrophobicContact CD1-CD1 4.47Å
313M97.7Very high96.3Very high0 Ų010.1 Ų10.10%05%0.052CC..Hα-helixtrans-61.2-37.9172.7-64.3169.9-166.300111.5I257 Q309 L310 G311 T316 L317 H328 I329 H332I257-M313 HydrophobicContact CD1-CB 3.62Å; I257-M313 HydrophobicContact CD1-CG 4.43Å; I257-M313 HydrophobicContact CD1-SD 4.02Å; I257-M313 HydrophobicContact CG2-CB 4.03Å; Q309-M313 WeakPolarHBondContact O-CG 3.38Å; Q309-M313 PolarHBondContact O-N 3.18Å; L310-M313 HydrophobicContact CD2-SD 3.91Å; L310-M313 PolarHBondContact O-N 3.08Å; G311-M313 PolarHBondContact O-N 3.12Å; M313-T316 VanDerWaalsContact C-OG1 3.31Å; M313-T316 WeakPolarHBondContact CA-OG1 3.18Å; M313-T316 PolarHBondContact O-N 3.05Å; M313-T316 PolarHBondContact O-OG1 3.11Å; M313-L317 PolarHBondContact O-N 2.85Å; M313-L317 VanDerWaalsContact O-N 3.14Å; M313-H328 HydrophobicContact CE-CB 4.4Å; M313-H328 WeakPolarHBondContact CE-CD2 3.33Å; M313-H328 HydrophobicContact CG-CB 4.34Å; M313-I329 HydrophobicContact CE-CG1 4.06Å; M313-I329 HydrophobicContact SD-CB 4.48Å; M313-I329 HydrophobicContact SD-CD1 4.39Å; M313-I329 HydrophobicContact SD-CG1 3.42Å; M313-I329 WeakPolarHBondContact SD-CG1 3.37Å; M313-H332 HydrophobicContact CE-CB 3.73Å
314M97.4Very high96.3Very high0 Ų011.1 Ų11.10%06%0.057CC..Hα-helixtrans-66.2-37.8175.8-166.962.5170.200112.4L217 L260 M277 L280 L310 G311 L312 T316 L317 G318L217-M314 HydrophobicContact CD1-CE 3.14Å; L260-M314 HydrophobicContact CD1-CE 3.56Å; L260-M314 HydrophobicContact CD1-SD 3.6Å; L260-M314 VanDerWaalsContact CD1-SD 3.6Å; M277-M314 HydrophobicContact CB-CE 3.84Å; M277-M314 HydrophobicContact CB-SD 4.41Å; M277-M314 HydrophobicContact CG-CE 3.48Å; M277-M314 VanDerWaalsContact CG-CE 3.48Å; M277-M314 HydrophobicContact CG-SD 4.38Å; M277-M314 HydrophobicContact SD-CE 4.09Å; L280-M314 HydrophobicContact CD2-CE 4.35Å; L280-M314 HydrophobicContact CD2-CG 4.28Å; L310-M314 PolarHBondContact O-N 3.15Å; G311-M314 WeakPolarHBondContact O-CA 3.4Å; G311-M314 WeakPolarHBondContact O-CB 3.39Å; G311-M314 PolarHBondContact O-N 3.37Å; G311-M314 VanDerWaalsContact O-N 3.1Å; L312-M314 VanDerWaalsContact C-N 3.28Å; L312-M314 PolarHBondContact O-N 2.82Å; M314-T316 VanDerWaalsContact C-N 3.34Å; M314-T316 PolarHBondContact O-N 2.86Å; M314-L317 PolarHBondContact O-N 2.91Å; M314-L317 HydrophobicContact SD-CD1 4.24Å; M314-G318 PolarHBondContact O-N 3.07Å; M314-G318 VanDerWaalsContact O-N 3.07Å
315V97.6Very high96.3Very high1 Ų111 Ų111%0.0066%0.056CC..Hα-helixtrans-60.9-44172.1174.30000110.9L278 G281 A282 G311 L312 L317 G318 M319 I399 T412L278-V315 HydrophobicContact CG-CG1 4.46Å; G281-V315 VanDerWaalsContact C-CG2 3.49Å; A282-V315 HydrophobicContact CB-CG2 4.13Å; A282-V315 VanDerWaalsContact N-CG2 3.28Å; G311-V315 WeakPolarHBondContact O-CG2 3.17Å; G311-V315 PolarHBondContact O-N 3.26Å; L312-V315 WeakPolarHBondContact O-CB 3.07Å; L312-V315 PolarHBondContact O-N 2.67Å; V315-L317 VanDerWaalsContact C-N 3.26Å; V315-L317 PolarHBondContact O-N 3.35Å; V315-G318 CarbonylContact O-C 3.58Å; V315-G318 WeakPolarHBondContact O-CA 3.29Å; V315-G318 PolarHBondContact O-N 3.42Å; V315-M319 WeakPolarHBondContact O-CG 3.34Å; V315-M319 PolarHBondContact O-N 3.22Å; V315-M319 VanDerWaalsContact O-N 3.12Å; V315-I399 HydrophobicContact CG1-CD1 3.66Å; V315-T412 HydrophobicContact CG1-CG2 4.26Å; V315-T412 HydrophobicContact CG2-CG2 3.85Å
316T96.9Very high96.3Very high1 Ų111 Ų111%0.0066%0.056CC..Hα-helixtrans-63.3-31.9178.958.10000113.5L312 M313 M314 M319 Q321 A325 I395L312-T316 WeakPolarHBondContact O-CG2 3.38Å; L312-T316 PolarHBondContact O-N 3.25Å; M313-T316 VanDerWaalsContact C-OG1 3.31Å; M313-T316 WeakPolarHBondContact CA-OG1 3.18Å; M313-T316 PolarHBondContact O-N 3.05Å; M313-T316 PolarHBondContact O-OG1 3.11Å; M314-T316 VanDerWaalsContact C-N 3.34Å; M314-T316 PolarHBondContact O-N 2.86Å; T316-M319 WeakPolarHBondContact O-CB 3.39Å; T316-M319 PolarHBondContact O-N 3.31Å; T316-Q321 PolarHBondContact O-N 2.96Å; T316-A325 WeakPolarHBondContact OG1-CA 3.17Å; T316-A325 WeakPolarHBondContact OG1-CB 3.39Å; T316-I395 HydrophobicContact CG2-CB 3.93Å; T316-I395 HydrophobicContact CG2-CD1 3.69Å; T316-I395 HydrophobicContact CG2-CG1 3.45Å; T316-I395 VanDerWaalsContact CG2-CG1 3.45Å; T316-I395 HydrophobicContact CG2-CG2 3.32Å
317L96.5Very high96.3Very high6 Ų611 Ų113%0.0316%0.056CC..Hα-helixtrans-68.8-41.2171.6-69.1173.8000111.7I257 L260 V261 L274 M277 M313 M314 V315 M319 N320 P322 A325I257-L317 HydrophobicContact CG2-CD1 3.67Å; L260-L317 HydrophobicContact CB-CD1 3.68Å; L260-L317 HydrophobicContact CD1-CD1 4.08Å; V261-L317 HydrophobicContact CG2-CD2 3.75Å; L274-L317 WeakPolarHBondContact CD2-O 3.32Å; M277-L317 HydrophobicContact CE-CB 4.34Å; M277-L317 HydrophobicContact SD-CB 4.18Å; M313-L317 PolarHBondContact O-N 2.85Å; M313-L317 VanDerWaalsContact O-N 3.14Å; M314-L317 PolarHBondContact O-N 2.91Å; M314-L317 HydrophobicContact SD-CD1 4.24Å; V315-L317 VanDerWaalsContact C-N 3.26Å; V315-L317 PolarHBondContact O-N 3.35Å; L317-M319 PolarHBondContact O-N 3.21Å; L317-M319 VanDerWaalsContact O-N 3.13Å; L317-N320 PolarHBondContact O-N 2.92Å; L317-P322 HydrophobicContact CD2-CB 3.9Å; L317-A325 HydrophobicContact CD2-CB 4.08Å; L317-A325 HydrophobicContact CG-CB 4.15Å
318G95.7Very high96.4Very high8 Ų810.9 Ų10.98%0.0826%0.055CC..Hα-helixtrans-61.6-16.9173.200000114.3L274 M314 V315L274-G318 VanDerWaalsContact O-CA 3.23Å; L274-G318 WeakPolarHBondContact O-CA 3.04Å; M314-G318 PolarHBondContact O-N 3.07Å; M314-G318 VanDerWaalsContact O-N 3.07Å; V315-G318 CarbonylContact O-C 3.58Å; V315-G318 WeakPolarHBondContact O-CA 3.29Å; V315-G318 PolarHBondContact O-N 3.42Å
319M93.8Very high96.3Very high16 Ų1610.8 Ų10.88%0.0795%0.054CC..THydrogen-bonded Turntrans-956.5175.4-69.3-165.363.500114.6L278 V315 T316 L317 Q321 A398 I399 C402 T404L278-M319 HydrophobicContact CD1-CG 3.98Å; V315-M319 WeakPolarHBondContact O-CG 3.34Å; V315-M319 PolarHBondContact O-N 3.22Å; V315-M319 VanDerWaalsContact O-N 3.12Å; T316-M319 WeakPolarHBondContact O-CB 3.39Å; T316-M319 PolarHBondContact O-N 3.31Å; L317-M319 PolarHBondContact O-N 3.21Å; L317-M319 VanDerWaalsContact O-N 3.13Å; M319-Q321 VanDerWaalsContact C-N 3.3Å; M319-Q321 PolarHBondContact O-N 2.94Å; M319-A398 HydrophobicContact CE-CB 4Å; M319-A398 WeakPolarHBondContact CE-O 3.49Å; M319-I399 VanDerWaalsContact CE-CA 3.45Å; M319-I399 HydrophobicContact CE-CB 4.32Å; M319-I399 WeakPolarHBondContact SD-CA 3.32Å; M319-I399 HydrophobicContact SD-CB 3.65Å; M319-I399 HydrophobicContact SD-CD1 4.45Å; M319-I399 HydrophobicContact SD-CG1 3.68Å; M319-C402 HydrophobicContact CE-CB 3.24Å; M319-T404 HydrophobicContact CE-CG2 4.3Å; M319-T404 HydrophobicContact CG-CG2 4.18Å
320N94.5Very high96.3Very high53 Ų5310.6 Ų10.628%0.2835%0.054SC..THydrogen-bonded Turntrans60.133.4-173-80.9-27.2000114.2T268 L274 L317 P322T268-N320 WeakPolarHBondContact CA-OD1 3.33Å; L274-N320 VanDerWaalsContact CD1-ND2 3.25Å; L274-N320 WeakPolarHBondContact CD1-ND2 3.45Å; L274-N320 WeakPolarHBondContact CD1-OD1 3.42Å; L274-N320 WeakPolarHBondContact CD2-OD1 3.36Å; L317-N320 PolarHBondContact O-N 2.92Å; N320-P322 VanDerWaalsContact O-CD 3.23Å; N320-P322 WeakPolarHBondContact O-CD 3.32Å
321Q95.3Very high96.3Very high44 Ų4410.6 Ų10.621%0.2065%0.053CC..  trans-117.366.8174.5-64.2-168.7-13.100113.1T316 M319 Y323 L324 A325 A398T316-Q321 PolarHBondContact O-N 2.96Å; M319-Q321 VanDerWaalsContact C-N 3.3Å; M319-Q321 PolarHBondContact O-N 2.94Å; Q321-Y323 PolarHBondContact O-N 3.21Å; Q321-L324 HydrophobicContact CB-CB 4.19Å; Q321-L324 PolarHBondContact O-N 2.93Å; Q321-A325 PolarHBondContact O-N 3.47Å; Q321-A398 VanDerWaalsContact CD-CB 3.45Å; Q321-A398 VanDerWaalsContact NE2-CB 3.32Å
322P95.8Very high96.2Very high7 Ų710.6 Ų10.65%0.0455%0.053CC..Hα-helixtrans-68.8-35.7-17428.8-36.3000113.8V261 H264 L317 N320 L324 A325 F326V261-P322 HydrophobicContact CG1-CB 4.34Å; H264-P322 HydrophobicContact CB-CB 3.77Å; H264-P322 HydrophobicContact CB-CG 3.75Å; L317-P322 HydrophobicContact CD2-CB 3.9Å; N320-P322 VanDerWaalsContact O-CD 3.23Å; N320-P322 WeakPolarHBondContact O-CD 3.32Å; P322-L324 VanDerWaalsContact C-N 3.29Å; P322-L324 PolarHBondContact O-N 3.48Å; P322-A325 WeakPolarHBondContact O-CB 3.33Å; P322-A325 PolarHBondContact O-N 3.41Å; P322-F326 WeakPolarHBondContact O-CB 3.22Å; P322-F326 PolarHBondContact O-N 3Å
323Y95.8Very high96.2Very high54 Ų5410.3 Ų10.321%0.2125%0.052CC..Hα-helixtrans-64.4-35.6177.6-66.6-81.1000112.1F84 F85 Q321 F326 L327 T475F84-Y323 AromaticContact CD1-CD1 3.98Å; F84-Y323 HydrophobicContact CD1-CD1 3.98Å; F84-Y323 HydrophobicContact CD1-CE1 4.19Å; F84-Y323 HydrophobicContact CE1-CD1 4.06Å; F85-Y323 AromaticContact CE1-CD1 3.7Å; F85-Y323 HydrophobicContact CE1-CD1 3.7Å; F85-Y323 AromaticContact CE1-CE1 3.85Å; F85-Y323 HydrophobicContact CE1-CE1 3.85Å; F85-Y323 HydrophobicContact CE2-CE1 4.23Å; F85-Y323 AromaticContact CZ-CD1 3.69Å; F85-Y323 HydrophobicContact CZ-CD1 3.69Å; F85-Y323 AromaticContact CZ-CE1 3.4Å; F85-Y323 HydrophobicContact CZ-CE1 3.4Å; F85-Y323 VanDerWaalsContact CZ-CE1 3.4Å; F85-Y323 HydrophobicContact CZ-CG 4.44Å; F85-Y323 AromaticContact CZ-CZ 3.97Å; Q321-Y323 PolarHBondContact O-N 3.21Å; Y323-F326 PolarHBondContact O-N 3.35Å; Y323-L327 PolarHBondContact O-N 2.61Å; Y323-T475 WeakPolarHBondContact CB-OG1 3.49Å; Y323-T475 HydrophobicContact CD1-CG2 3.79Å; Y323-T475 HydrophobicContact CD2-CG2 4.18Å; Y323-T475 VanDerWaalsContact CD2-OG1 3.28Å; Y323-T475 WeakPolarHBondContact CD2-OG1 3.34Å; Y323-T475 HydrophobicContact CE1-CG2 3.68Å; Y323-T475 HydrophobicContact CE2-CG2 4.08Å; Y323-T475 HydrophobicContact CG-CG2 4.04Å
324L95.9Very high96.1Very high21 Ų2110.9 Ų10.911%0.116%0.055CC..Hα-helixtrans-71.4-40.8176.7-173.664.1000111.6Q321 P322 F326 L327 H328 L394 I395Q321-L324 HydrophobicContact CB-CB 4.19Å; Q321-L324 PolarHBondContact O-N 2.93Å; P322-L324 VanDerWaalsContact C-N 3.29Å; P322-L324 PolarHBondContact O-N 3.48Å; L324-F326 PolarHBondContact O-N 3.5Å; L324-L327 PolarHBondContact O-N 3.19Å; L324-H328 PolarHBondContact O-N 2.89Å; L324-L394 HydrophobicContact CD1-CB 3.71Å; L324-L394 HydrophobicContact CD1-CD1 3.97Å; L324-L394 HydrophobicContact CD1-CG 4.49Å; L324-L394 HydrophobicContact CD2-CB 4.02Å; L324-I395 HydrophobicContact CD1-CG1 4.29Å; L324-I395 HydrophobicContact CD2-CB 4.19Å; L324-I395 HydrophobicContact CD2-CG1 3.43Å; L324-I395 VanDerWaalsContact CD2-CG1 3.43Å; L324-I395 HydrophobicContact CG-CD1 4.39Å; L324-I395 HydrophobicContact CG-CG1 3.6Å
325A97.1Very high96Very high0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-54.6-45.3170.700000110.9V261 T316 L317 Q321 P322 H328 I329V261-A325 HydrophobicContact CG2-CB 4.43Å; T316-A325 WeakPolarHBondContact OG1-CA 3.17Å; T316-A325 WeakPolarHBondContact OG1-CB 3.39Å; L317-A325 HydrophobicContact CD2-CB 4.08Å; L317-A325 HydrophobicContact CG-CB 4.15Å; Q321-A325 PolarHBondContact O-N 3.47Å; P322-A325 WeakPolarHBondContact O-CB 3.33Å; P322-A325 PolarHBondContact O-N 3.41Å; A325-H328 WeakPolarHBondContact O-CB 3.11Å; A325-H328 PolarHBondContact O-N 3.19Å; A325-I329 WeakPolarHBondContact O-CG1 3.38Å; A325-I329 PolarHBondContact O-N 3.15Å
326F96.6Very high95.9Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-69-37.8179.4-177.1-104.8000113.8F84 F85 L88 F89 F258 V261 P322 Y323 L324 H328 I329 C330F84-F326 HydrophobicContact CD1-CD1 4.14Å; F84-F326 HydrophobicContact CD1-CE1 4.17Å; F84-F326 AromaticContact CE1-CD1 3.58Å; F84-F326 HydrophobicContact CE1-CD1 3.58Å; F84-F326 AromaticContact CE1-CE1 3.83Å; F84-F326 HydrophobicContact CE1-CE1 3.83Å; F84-F326 HydrophobicContact CZ-CD1 4.21Å; F84-F326 HydrophobicContact CZ-CE1 4.22Å; F85-F326 VanDerWaalsContact CA-CZ 3.5Å; F85-F326 HydrophobicContact CB-CE2 4.21Å; F85-F326 HydrophobicContact CB-CZ 4.21Å; F85-F326 HydrophobicContact CD1-CB 4.03Å; F85-F326 AromaticContact CD1-CD1 3.56Å; F85-F326 HydrophobicContact CD1-CD1 3.56Å; F85-F326 AromaticContact CD1-CD2 3.82Å; F85-F326 HydrophobicContact CD1-CD2 3.82Å; F85-F326 AromaticContact CD1-CE1 3.89Å; F85-F326 HydrophobicContact CD1-CE1 3.89Å; F85-F326 HydrophobicContact CD1-CE2 4.18Å; F85-F326 AromaticContact CD1-CG 3.51Å; F85-F326 HydrophobicContact CD1-CG 3.51Å; F85-F326 HydrophobicContact CD1-CZ 4.23Å; F85-F326 HydrophobicContact CE1-CB 3.97Å; F85-F326 HydrophobicContact CE1-CD1 4.08Å; F85-F326 AromaticContact CE1-CG 3.96Å; F85-F326 HydrophobicContact CE1-CG 3.96Å; F85-F326 WeakPolarHBondContact O-CZ 3.2Å; L88-F326 HydrophobicContact CB-CE1 3.91Å; L88-F326 HydrophobicContact CB-CZ 4.08Å; L88-F326 HydrophobicContact CD2-CD1 4.29Å; L88-F326 HydrophobicContact CD2-CE1 3.56Å; L88-F326 HydrophobicContact CD2-CZ 4.29Å; L88-F326 HydrophobicContact CG-CE1 4.22Å; F89-F326 HydrophobicContact CB-CE2 4.09Å; F89-F326 HydrophobicContact CB-CZ 4.01Å; F89-F326 HydrophobicContact CD2-CE2 4.43Å; F258-F326 HydrophobicContact CD2-CD2 4.41Å; F258-F326 HydrophobicContact CD2-CE2 4.14Å; F258-F326 HydrophobicContact CE2-CE2 4.12Å; V261-F326 HydrophobicContact CG1-CB 4.35Å; P322-F326 WeakPolarHBondContact O-CB 3.22Å; P322-F326 PolarHBondContact O-N 3Å; Y323-F326 PolarHBondContact O-N 3.35Å; L324-F326 PolarHBondContact O-N 3.5Å; F326-H328 VanDerWaalsContact C-N 3.28Å; F326-H328 PolarHBondContact O-N 3.36Å; F326-I329 HydrophobicContact CD2-CD1 4.43Å; F326-I329 WeakPolarHBondContact O-CB 3.42Å; F326-I329 PolarHBondContact O-N 3.22Å; F326-C330 PolarHBondContact O-N 3.45Å; F326-C330 VanDerWaalsContact O-N 3.07Å; F326-C330 PolarHBondContact O-SG 3.2Å; F326-C330 VanDerWaalsContact O-SG 3.32Å
327L95.9Very high95.9Very high1 Ų110.9 Ų10.91%0.0055%0.054CC..Hα-helixtrans-63.4-39171.9-170.3147.7000110.8Y323 L324 C330 T331 I468 M472Y323-L327 PolarHBondContact O-N 2.61Å; L324-L327 PolarHBondContact O-N 3.19Å; L327-C330 PolarHBondContact O-N 3.24Å; L327-T331 HydrophobicContact CD2-CG2 4.01Å; L327-T331 WeakPolarHBondContact O-CG2 3.28Å; L327-T331 PolarHBondContact O-N 2.7Å; L327-T331 PolarHBondContact O-OG1 3.03Å; L327-T331 VanDerWaalsContact O-OG1 3.1Å; L327-I468 HydrophobicContact CD1-CG2 4.2Å; L327-I468 HydrophobicContact CG-CG2 4.38Å; L327-M472 HydrophobicContact CD1-CE 3.86Å; L327-M472 HydrophobicContact CD1-SD 3.4Å; L327-M472 WeakPolarHBondContact CD1-SD 3.33Å
328H97.1Very high95.9Very high1 Ų110.6 Ų10.61%0.0055%0.053CC..Hα-helixtrans-64.1-41.4173.5-163.758.9000112Q309 M313 L324 A325 F326 C330 T331 H332 S391 I395Q309-H328 PolarHBondContact OE1-NE2 2.84Å; Q309-H328 VanDerWaalsContact OE1-NE2 3.15Å; M313-H328 HydrophobicContact CE-CB 4.4Å; M313-H328 WeakPolarHBondContact CE-CD2 3.33Å; M313-H328 HydrophobicContact CG-CB 4.34Å; L324-H328 PolarHBondContact O-N 2.89Å; A325-H328 WeakPolarHBondContact O-CB 3.11Å; A325-H328 PolarHBondContact O-N 3.19Å; F326-H328 VanDerWaalsContact C-N 3.28Å; F326-H328 PolarHBondContact O-N 3.36Å; H328-C330 VanDerWaalsContact C-N 3.3Å; H328-C330 PolarHBondContact O-N 2.94Å; H328-T331 WeakPolarHBondContact CA-OG1 3.48Å; H328-T331 PolarHBondContact O-N 3.43Å; H328-T331 PolarHBondContact O-OG1 3.38Å; H328-T331 VanDerWaalsContact O-OG1 3.09Å; H328-H332 WeakPolarHBondContact O-CB 3.26Å; H328-H332 PolarHBondContact O-N 3.36Å; H328-S391 WeakPolarHBondContact ND1-CB 3.45Å; H328-S391 PolarHBondContact ND1-OG 3.3Å; H328-I395 HydrophobicContact CB-CD1 3.92Å
329I96.4Very high96Very high1 Ų110.6 Ų10.61%0.0055%0.051CC..Hα-helixtrans-52.3-49.3172.3-73.9167.2000111F89 V254 I257 M313 A325 F326 H332 A333F89-I329 HydrophobicContact CD2-CG2 4.28Å; F89-I329 HydrophobicContact CE2-CG2 4.23Å; V254-I329 HydrophobicContact CB-CG2 4.45Å; V254-I329 HydrophobicContact CG1-CB 4.22Å; V254-I329 HydrophobicContact CG1-CD1 3.75Å; V254-I329 HydrophobicContact CG1-CG1 3.87Å; V254-I329 HydrophobicContact CG1-CG2 3.32Å; V254-I329 HydrophobicContact CG2-CG2 4.31Å; I257-I329 HydrophobicContact CB-CD1 4.32Å; I257-I329 HydrophobicContact CG2-CD1 3.92Å; M313-I329 HydrophobicContact CE-CG1 4.06Å; M313-I329 HydrophobicContact SD-CB 4.48Å; M313-I329 HydrophobicContact SD-CD1 4.39Å; M313-I329 HydrophobicContact SD-CG1 3.42Å; M313-I329 WeakPolarHBondContact SD-CG1 3.37Å; A325-I329 WeakPolarHBondContact O-CG1 3.38Å; A325-I329 PolarHBondContact O-N 3.15Å; F326-I329 HydrophobicContact CD2-CD1 4.43Å; F326-I329 WeakPolarHBondContact O-CB 3.42Å; F326-I329 PolarHBondContact O-N 3.22Å; I329-H332 PolarHBondContact O-N 3.42Å; I329-A333 PolarHBondContact O-N 3.08Å
330C96Very high96.2Very high1 Ų19.9 Ų9.91%0.0075%0.048CC..Hα-helixtrans-66.9-44.2-176.6-65.20000112.1L88 V92 F326 L327 H328 F334 I468L88-C330 HydrophobicContact CD2-CB 4.35Å; L88-C330 VanDerWaalsContact CD2-SG 3.58Å; V92-C330 HydrophobicContact CG2-CB 4.23Å; F326-C330 PolarHBondContact O-N 3.45Å; F326-C330 VanDerWaalsContact O-N 3.07Å; F326-C330 PolarHBondContact O-SG 3.2Å; F326-C330 VanDerWaalsContact O-SG 3.32Å; L327-C330 PolarHBondContact O-N 3.24Å; H328-C330 VanDerWaalsContact C-N 3.3Å; H328-C330 PolarHBondContact O-N 2.94Å; C330-F334 WeakPolarHBondContact O-CD2 3.48Å; C330-F334 VanDerWaalsContact O-CE2 3.31Å; C330-F334 WeakPolarHBondContact O-CE2 3.39Å; C330-I468 HydrophobicContact CB-CD1 4.34Å
331T95.7Very high96.2Very high0 Ų07.3 Ų7.30%03%0.034CC..Hα-helixtrans-68.9-38.5178.555.20000112.1L327 H328 A333 F334 F335 T387 S391L327-T331 HydrophobicContact CD2-CG2 4.01Å; L327-T331 WeakPolarHBondContact O-CG2 3.28Å; L327-T331 PolarHBondContact O-N 2.7Å; L327-T331 PolarHBondContact O-OG1 3.03Å; L327-T331 VanDerWaalsContact O-OG1 3.1Å; H328-T331 WeakPolarHBondContact CA-OG1 3.48Å; H328-T331 PolarHBondContact O-N 3.43Å; H328-T331 PolarHBondContact O-OG1 3.38Å; H328-T331 VanDerWaalsContact O-OG1 3.09Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 2.95Å; T331-F334 PolarHBondContact O-N 3.49Å; T331-F335 WeakPolarHBondContact O-CD1 3.32Å; T331-F335 VanDerWaalsContact O-CE1 3.27Å; T331-F335 WeakPolarHBondContact O-CE1 3.4Å; T331-T387 WeakPolarHBondContact CG2-O 3.36Å; T331-S391 PolarHBondContact OG1-OG 3.28Å
332H95.9Very high96.3Very high0 Ų05.2 Ų5.20%02%0.024CC..Hα-helixtrans-57.9-40.3176.4177.3-94.3000113.4S249 M313 H328 I329 F334 F335 K336S249-H332 PolarHBondContact O-ND1 3.11Å; M313-H332 HydrophobicContact CE-CB 3.73Å; H328-H332 WeakPolarHBondContact O-CB 3.26Å; H328-H332 PolarHBondContact O-N 3.36Å; I329-H332 PolarHBondContact O-N 3.42Å; H332-F334 VanDerWaalsContact C-N 3.29Å; H332-F334 PolarHBondContact O-N 2.97Å; H332-F335 VanDerWaalsContact CA-CE1 3.41Å; H332-F335 VanDerWaalsContact CA-CZ 3.42Å; H332-F335 HydrophobicContact CB-CE1 4.37Å; H332-F335 HydrophobicContact CB-CZ 3.98Å; H332-F335 AromaticContact CD2-CE2 3.85Å; H332-F335 AromaticContact CD2-CZ 3.95Å; H332-K336 VanDerWaalsContact CE1-CG 3.45Å; H332-K336 WeakPolarHBondContact CE1-CG 3.46Å; H332-K336 WeakPolarHBondContact NE2-CE 3.36Å; H332-K336 VanDerWaalsContact NE2-CG 3.29Å; H332-K336 WeakPolarHBondContact NE2-CG 3.09Å; H332-K336 WeakPolarHBondContact O-CB 3.32Å; H332-K336 WeakPolarHBondContact O-CG 3.4Å; H332-K336 PolarHBondContact O-N 3.33Å; H332-K336 VanDerWaalsContact O-N 3.07Å
333A96.1Very high96.4Very high2 Ų24.9 Ų4.92%0.0172%0.022CC..Hα-helixtrans-53.8-44.517900000112.5V92 V96 I329 T331 A337V92-A333 HydrophobicContact CG1-CB 3.72Å; V96-A333 HydrophobicContact CG2-CB 4.24Å; I329-A333 PolarHBondContact O-N 3.08Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 2.95Å; A333-A337 WeakPolarHBondContact O-CB 3.32Å; A333-A337 PolarHBondContact O-N 3.47Å; A333-A337 VanDerWaalsContact O-N 3.12Å
334F96.1Very high96.4Very high11 Ų112.3 Ų2.35%0.0481%0.012CC..Hα-helixtrans-66.2-57-176.6-64.3-79.8000112.6V92 F95 C330 T331 H332 K336 M338 L457 A464V92-F334 HydrophobicContact CG1-CE2 4.06Å; V92-F334 HydrophobicContact CG1-CZ 4.11Å; V92-F334 HydrophobicContact CG2-CE2 4.21Å; V92-F334 HydrophobicContact CG2-CZ 4.14Å; F95-F334 AromaticContact CD1-CD1 4Å; F95-F334 HydrophobicContact CD1-CD1 4Å; F95-F334 AromaticContact CD1-CE1 3.45Å; F95-F334 HydrophobicContact CD1-CE1 3.45Å; F95-F334 VanDerWaalsContact CD1-CE1 3.45Å; F95-F334 HydrophobicContact CE1-CD1 4.03Å; F95-F334 AromaticContact CE1-CE1 3.71Å; F95-F334 HydrophobicContact CE1-CE1 3.71Å; F95-F334 HydrophobicContact CG-CE1 4.31Å; C330-F334 WeakPolarHBondContact O-CD2 3.48Å; C330-F334 VanDerWaalsContact O-CE2 3.31Å; C330-F334 WeakPolarHBondContact O-CE2 3.39Å; T331-F334 PolarHBondContact O-N 3.49Å; H332-F334 VanDerWaalsContact C-N 3.29Å; H332-F334 PolarHBondContact O-N 2.97Å; F334-K336 PolarHBondContact O-N 2.98Å; F334-M338 WeakPolarHBondContact O-CB 3.19Å; F334-M338 PolarHBondContact O-N 3.34Å; F334-L457 HydrophobicContact CD1-CD2 4.36Å; F334-A464 HydrophobicContact CD2-CB 4.05Å; F334-A464 HydrophobicContact CE1-CB 4.26Å; F334-A464 HydrophobicContact CE2-CB 3.57Å; F334-A464 HydrophobicContact CZ-CB 3.69Å
335F95.2Very high96.5Very high2 Ų21.3 Ų1.31%0.0091%0.007CC..Hα-helixtrans-72.3-30.3-17458.6-105000112.6T331 H332 L339 A379 L380T331-F335 WeakPolarHBondContact O-CD1 3.32Å; T331-F335 VanDerWaalsContact O-CE1 3.27Å; T331-F335 WeakPolarHBondContact O-CE1 3.4Å; H332-F335 VanDerWaalsContact CA-CE1 3.41Å; H332-F335 VanDerWaalsContact CA-CZ 3.42Å; H332-F335 HydrophobicContact CB-CE1 4.37Å; H332-F335 HydrophobicContact CB-CZ 3.98Å; H332-F335 AromaticContact CD2-CE2 3.85Å; H332-F335 AromaticContact CD2-CZ 3.95Å; F335-L339 VanDerWaalsContact O-CG 3.27Å; F335-L339 WeakPolarHBondContact O-CG 3.18Å; F335-L339 PolarHBondContact O-N 3.08Å; F335-A379 HydrophobicContact CB-CB 3.99Å; F335-A379 HydrophobicContact CD1-CB 4.27Å; F335-A379 HydrophobicContact CG-CB 4.3Å; F335-L380 HydrophobicContact CD2-CB 4.05Å; F335-L380 HydrophobicContact CE2-CB 4.02Å; F335-L380 HydrophobicContact CE2-CD1 4.39Å; F335-L380 HydrophobicContact CE2-CG 4.24Å
336K96.5Very high96.4Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-71.3-44.1174.6-70.3-58.9-166.6177.20113.2S305 T306 H332 F334 M338 L339 F340 L380S305-K336 VanDerWaalsContact CB-NZ 3.32Å; S305-K336 PolarHBondContact O-NZ 3.44Å; S305-K336 PolarHBondContact OG-NZ 3.39Å; T306-K336 HydrophobicContact CG2-CD 3.76Å; T306-K336 HydrophobicContact CG2-CG 4.04Å; H332-K336 VanDerWaalsContact CE1-CG 3.45Å; H332-K336 WeakPolarHBondContact CE1-CG 3.46Å; H332-K336 WeakPolarHBondContact NE2-CE 3.36Å; H332-K336 VanDerWaalsContact NE2-CG 3.29Å; H332-K336 WeakPolarHBondContact NE2-CG 3.09Å; H332-K336 WeakPolarHBondContact O-CB 3.32Å; H332-K336 WeakPolarHBondContact O-CG 3.4Å; H332-K336 PolarHBondContact O-N 3.33Å; H332-K336 VanDerWaalsContact O-N 3.07Å; F334-K336 PolarHBondContact O-N 2.98Å; K336-M338 PolarHBondContact O-N 2.91Å; K336-L339 HydrophobicContact CD-CD1 4.33Å; K336-L339 PolarHBondContact O-N 3.29Å; K336-F340 WeakPolarHBondContact O-CD2 3.48Å; K336-F340 PolarHBondContact O-N 2.99Å; K336-L380 HydrophobicContact CD-CD1 4.32Å
337A96.4Very high96.4Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-60.9-38.2175.400000110.5V96 A333 F340 M341 L457V96-A337 HydrophobicContact CG1-CB 3.63Å; A333-A337 WeakPolarHBondContact O-CB 3.32Å; A333-A337 PolarHBondContact O-N 3.47Å; A333-A337 VanDerWaalsContact O-N 3.12Å; A337-F340 PolarHBondContact O-N 3.36Å; A337-M341 WeakPolarHBondContact O-CG 3.31Å; A337-M341 PolarHBondContact O-N 3.31Å; A337-L457 HydrophobicContact CB-CD1 3.51Å
338M96.8Very high96.4Very high0 Ų04.7 Ų4.70%02%0.022CC..Hα-helixtrans-62.7-46.5173.9-171.2174.961.400112.5F334 K336 F340 M341 C342 C372 I375 I454 L457 A458 S461F334-M338 WeakPolarHBondContact O-CB 3.19Å; F334-M338 PolarHBondContact O-N 3.34Å; K336-M338 PolarHBondContact O-N 2.91Å; M338-F340 PolarHBondContact O-N 3.3Å; M338-M341 PolarHBondContact O-N 3.03Å; M338-C342 WeakPolarHBondContact O-CB 3.13Å; M338-C342 PolarHBondContact O-N 3.39Å; M338-C342 PolarHBondContact O-SG 3.12Å; M338-C372 VanDerWaalsContact CE-O 3.25Å; M338-C372 WeakPolarHBondContact CE-O 3.42Å; M338-C372 HydrophobicContact CG-CB 4.41Å; M338-C372 HydrophobicContact SD-CB 4.12Å; M338-I375 HydrophobicContact CE-CB 4.32Å; M338-I375 HydrophobicContact CE-CG2 4.16Å; M338-I454 HydrophobicContact CG-CG2 4.43Å; M338-L457 HydrophobicContact CB-CB 4.05Å; M338-L457 HydrophobicContact CB-CD1 4.14Å; M338-L457 HydrophobicContact CG-CB 4.4Å; M338-A458 HydrophobicContact SD-CB 3.92Å; M338-S461 WeakPolarHBondContact CE-OG 3.31Å
339L97.1Very high96.2Very high9 Ų95 Ų55%0.0473%0.025CC..Hα-helixtrans-60.6-43.2177.1-74.5170000112I302 F335 K336 S343 L373 L380I302-L339 HydrophobicContact CD1-CB 4.19Å; I302-L339 HydrophobicContact CG2-CB 4.46Å; F335-L339 VanDerWaalsContact O-CG 3.27Å; F335-L339 WeakPolarHBondContact O-CG 3.18Å; F335-L339 PolarHBondContact O-N 3.08Å; K336-L339 HydrophobicContact CD-CD1 4.33Å; K336-L339 PolarHBondContact O-N 3.29Å; L339-S343 WeakPolarHBondContact O-CB 3.24Å; L339-S343 PolarHBondContact O-N 3.43Å; L339-S343 PolarHBondContact O-OG 2.93Å; L339-L373 HydrophobicContact CD2-CG 4.3Å; L339-L380 HydrophobicContact CD1-CD1 3.94Å
340F97.3Very high96.1Very high0 Ų05.9 Ų5.90%03%0.029CC..Hα-helixtrans-66.3-41.5176.8-82.8-67000112.5M237 A245 H248 I302 T306 K336 A337 M338 S343 G344M237-F340 HydrophobicContact CE-CZ 4.43Å; M237-F340 HydrophobicContact SD-CE1 3.9Å; M237-F340 HydrophobicContact SD-CZ 4.21Å; A245-F340 HydrophobicContact CB-CB 3.57Å; A245-F340 HydrophobicContact CB-CG 4.29Å; H248-F340 HydrophobicContact CB-CE2 4.11Å; H248-F340 HydrophobicContact CB-CZ 4.27Å; I302-F340 HydrophobicContact CB-CD1 4.39Å; I302-F340 HydrophobicContact CB-CE1 3.87Å; I302-F340 HydrophobicContact CB-CE2 4.38Å; I302-F340 HydrophobicContact CB-CZ 3.87Å; I302-F340 HydrophobicContact CD1-CD1 4.25Å; I302-F340 HydrophobicContact CG2-CD1 4.08Å; I302-F340 HydrophobicContact CG2-CD2 3.76Å; I302-F340 HydrophobicContact CG2-CE1 3.72Å; I302-F340 HydrophobicContact CG2-CE2 3.38Å; I302-F340 HydrophobicContact CG2-CG 4.1Å; I302-F340 HydrophobicContact CG2-CZ 3.37Å; T306-F340 HydrophobicContact CG2-CE2 4.3Å; K336-F340 WeakPolarHBondContact O-CD2 3.48Å; K336-F340 PolarHBondContact O-N 2.99Å; A337-F340 PolarHBondContact O-N 3.36Å; M338-F340 PolarHBondContact O-N 3.3Å; F340-S343 WeakPolarHBondContact CA-OG 3.42Å; F340-S343 PolarHBondContact O-N 2.68Å; F340-S343 PolarHBondContact O-OG 3.22Å; F340-G344 PolarHBondContact O-N 3.02Å
341M96.3Very high95.9Very high0 Ų09.6 Ų9.60%06%0.06CC..Hα-helixtrans-67.2-39.9176.6-70.8-169.8-52.100112.4I100 F103 A337 M338 S343 G344 S345 P453 I454 L457I100-M341 HydrophobicContact CG1-SD 4.43Å; F103-M341 HydrophobicContact CB-CG 4.32Å; F103-M341 HydrophobicContact CB-SD 3.66Å; F103-M341 HydrophobicContact CD1-CG 4Å; F103-M341 HydrophobicContact CD1-SD 4.43Å; F103-M341 HydrophobicContact CD2-CB 4.24Å; F103-M341 HydrophobicContact CD2-CG 4.21Å; F103-M341 HydrophobicContact CD2-SD 4.32Å; F103-M341 HydrophobicContact CE1-CG 4.4Å; F103-M341 HydrophobicContact CE2-CB 4.3Å; F103-M341 HydrophobicContact CG-CB 4.44Å; F103-M341 HydrophobicContact CG-CG 3.9Å; F103-M341 HydrophobicContact CG-SD 3.89Å; A337-M341 WeakPolarHBondContact O-CG 3.31Å; A337-M341 PolarHBondContact O-N 3.31Å; M338-M341 PolarHBondContact O-N 3.03Å; M341-S343 VanDerWaalsContact C-N 3.32Å; M341-S343 PolarHBondContact O-N 2.85Å; M341-G344 PolarHBondContact O-N 3.03Å; M341-S345 PolarHBondContact O-N 3.49Å; M341-S345 PolarHBondContact O-OG 2.91Å; M341-P453 HydrophobicContact CE-CB 4.34Å; M341-P453 HydrophobicContact SD-CB 4.26Å; M341-I454 HydrophobicContact CB-CG1 4.11Å; M341-I454 HydrophobicContact CE-CG1 4.14Å; M341-L457 HydrophobicContact CE-CB 4.44Å; M341-L457 HydrophobicContact CE-CD1 3.11Å; M341-L457 HydrophobicContact CE-CG 3.75Å
342C97.3Very high95.7Very high0 Ų014.1 Ų14.10%08%0.084CC..Hα-helixtrans-63.5-39173.1-63.60000111.2M338 G344 S345 I346 L373M338-C342 WeakPolarHBondContact O-CB 3.13Å; M338-C342 PolarHBondContact O-N 3.39Å; M338-C342 PolarHBondContact O-SG 3.12Å; C342-G344 VanDerWaalsContact C-N 3.34Å; C342-S345 WeakPolarHBondContact CA-OG 3.41Å; C342-S345 PolarHBondContact O-OG 2.88Å; C342-I346 WeakPolarHBondContact O-CD1 3.12Å; C342-I346 VanDerWaalsContact O-CG1 3.24Å; C342-I346 WeakPolarHBondContact O-CG1 3.37Å; C342-I346 PolarHBondContact O-N 2.91Å; C342-I346 VanDerWaalsContact O-N 3.14Å; C342-L373 HydrophobicContact CB-CB 4.16Å; C342-L373 HydrophobicContact CB-CD1 4.43Å
343S96.7Very high95.7Very high0 Ų016.8 Ų16.80%010%0.097CC..Hα-helixtrans-64.2-40.9173.2750000111.7L339 F340 M341 I346 I347L339-S343 WeakPolarHBondContact O-CB 3.24Å; L339-S343 PolarHBondContact O-N 3.43Å; L339-S343 PolarHBondContact O-OG 2.93Å; F340-S343 WeakPolarHBondContact CA-OG 3.42Å; F340-S343 PolarHBondContact O-N 2.68Å; F340-S343 PolarHBondContact O-OG 3.22Å; M341-S343 VanDerWaalsContact C-N 3.32Å; M341-S343 PolarHBondContact O-N 2.85Å; S343-I346 PolarHBondContact O-N 3.38Å; S343-I347 WeakPolarHBondContact O-CB 3.47Å; S343-I347 WeakPolarHBondContact O-CD1 3.46Å; S343-I347 WeakPolarHBondContact O-CG1 3.45Å; S343-I347 PolarHBondContact O-N 2.91Å
344G96.4Very high95.6Very high0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-66.2-38.9178.700000113Y107 F340 M341 C342 I346 I347 H348Y107-G344 WeakPolarHBondContact CE2-O 3.22Å; F340-G344 PolarHBondContact O-N 3.02Å; M341-G344 PolarHBondContact O-N 3.03Å; C342-G344 VanDerWaalsContact C-N 3.34Å; G344-I346 VanDerWaalsContact C-N 3.34Å; G344-I347 PolarHBondContact O-N 3.03Å; G344-H348 WeakPolarHBondContact O-CB 3.47Å; G344-H348 PolarHBondContact O-N 2.98Å
345S96.9Very high95.7Very high0 Ų020.3 Ų20.30%011%0.114CC..Hα-helixtrans-63.1-40.7172.6530000112.1M341 C342 S349 T369M341-S345 PolarHBondContact O-N 3.49Å; M341-S345 PolarHBondContact O-OG 2.91Å; C342-S345 WeakPolarHBondContact CA-OG 3.41Å; C342-S345 PolarHBondContact O-OG 2.88Å; S345-S349 VanDerWaalsContact O-CB 3.23Å; S345-S349 WeakPolarHBondContact O-CB 3.47Å; S345-S349 PolarHBondContact O-N 3.38Å; S345-S349 PolarHBondContact O-OG 2.84Å; S345-T369 WeakPolarHBondContact OG-CG2 3.28Å
346I96.7Very high95.7Very high1 Ų120.2 Ų20.21%0.00511%0.114CC..Hα-helixtrans-64.8-49.6176.8-67163.1000110C342 S343 G344 H348 S349 L350 M359 I362 M366 L373 V430C342-I346 WeakPolarHBondContact O-CD1 3.12Å; C342-I346 VanDerWaalsContact O-CG1 3.24Å; C342-I346 WeakPolarHBondContact O-CG1 3.37Å; C342-I346 PolarHBondContact O-N 2.91Å; C342-I346 VanDerWaalsContact O-N 3.14Å; S343-I346 PolarHBondContact O-N 3.38Å; G344-I346 VanDerWaalsContact C-N 3.34Å; I346-H348 PolarHBondContact O-N 3.43Å; I346-S349 PolarHBondContact O-N 3.49Å; I346-S349 PolarHBondContact O-OG 3.4Å; I346-L350 HydrophobicContact CG2-CD1 3.73Å; I346-L350 WeakPolarHBondContact O-CB 3.29Å; I346-L350 WeakPolarHBondContact O-CG 3.45Å; I346-L350 PolarHBondContact O-N 2.98Å; I346-M359 HydrophobicContact CG2-CE 3.95Å; I346-M359 HydrophobicContact CG2-SD 3.65Å; I346-I362 HydrophobicContact CD1-CD1 4.23Å; I346-I362 HydrophobicContact CD1-CG2 4.38Å; I346-I362 HydrophobicContact CG1-CD1 4.27Å; I346-I362 HydrophobicContact CG1-CG2 4.38Å; I346-I362 HydrophobicContact CG2-CD1 3.68Å; I346-M366 HydrophobicContact CG1-SD 4.42Å; I346-L373 HydrophobicContact CD1-CD1 3.94Å; I346-V430 HydrophobicContact CD1-CG1 3.9Å
347I95.9Very high95.7Very high0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-57.8-50.5-179.9-68.7162000110.9T241 K299 S343 G344 S349 L350 A351 D352 Q354T241-I347 HydrophobicContact CG2-CD1 3.98Å; K299-I347 HydrophobicContact CD-CD1 4.49Å; K299-I347 HydrophobicContact CG-CD1 4.03Å; S343-I347 WeakPolarHBondContact O-CB 3.47Å; S343-I347 WeakPolarHBondContact O-CD1 3.46Å; S343-I347 WeakPolarHBondContact O-CG1 3.45Å; S343-I347 PolarHBondContact O-N 2.91Å; G344-I347 PolarHBondContact O-N 3.03Å; I347-S349 VanDerWaalsContact C-N 3.32Å; I347-S349 PolarHBondContact O-N 2.77Å; I347-L350 CarbonylContact O-C 3.49Å; I347-L350 PolarHBondContact O-N 2.72Å; I347-A351 PolarHBondContact O-N 3.33Å; I347-D352 WeakPolarHBondContact O-CA 3.25Å; I347-D352 PolarHBondContact O-N 3.27Å; I347-Q354 HydrophobicContact CD1-CG 4.01Å; I347-Q354 HydrophobicContact CG1-CG 4.1Å; I347-Q354 HydrophobicContact CG2-CG 4.07Å
348H94.9Very high95.6Very high71 Ų7130.8 Ų30.833%0.32916%0.156SC..Hα-helixtrans-66.9-34-178.8-170.8-83.4000112W106 Y107 G344 I346 L350W106-H348 HydrophobicContact CH2-CB 3.76Å; W106-H348 AromaticContact CH2-CG 3.8Å; W106-H348 AromaticContact CH2-ND1 3.6Å; W106-H348 AromaticContact CZ2-ND1 3.73Å; W106-H348 HydrophobicContact CZ3-CB 4.09Å; Y107-H348 HydrophobicContact CD2-CB 4.09Å; Y107-H348 HydrophobicContact CE2-CB 3.87Å; G344-H348 WeakPolarHBondContact O-CB 3.47Å; G344-H348 PolarHBondContact O-N 2.98Å; I346-H348 PolarHBondContact O-N 3.43Å; H348-L350 VanDerWaalsContact C-N 3.3Å; H348-L350 PolarHBondContact O-N 3.2Å
349S94.2Very high95.5Very high8 Ų830.8 Ų30.86%0.05616%0.156CC..Hα-helixtrans-70.9-23.3175.573.90000114S345 I346 I347 M366S345-S349 VanDerWaalsContact O-CB 3.23Å; S345-S349 WeakPolarHBondContact O-CB 3.47Å; S345-S349 PolarHBondContact O-N 3.38Å; S345-S349 PolarHBondContact O-OG 2.84Å; I346-S349 PolarHBondContact O-N 3.49Å; I346-S349 PolarHBondContact O-OG 3.4Å; I347-S349 VanDerWaalsContact C-N 3.32Å; I347-S349 PolarHBondContact O-N 2.77Å; S349-M366 PolarHBondContact OG-SD 2.95Å
350L93.5Very high95.4Very high19 Ų1930.4 Ų30.410%0.09915%0.154CC..THydrogen-bonded Turntrans-106.528.9-178.1-65176.7000112.5I346 I347 H348 D352 E353 M359 F437 I443I346-L350 HydrophobicContact CG2-CD1 3.73Å; I346-L350 WeakPolarHBondContact O-CB 3.29Å; I346-L350 WeakPolarHBondContact O-CG 3.45Å; I346-L350 PolarHBondContact O-N 2.98Å; I347-L350 CarbonylContact O-C 3.49Å; I347-L350 PolarHBondContact O-N 2.72Å; H348-L350 VanDerWaalsContact C-N 3.3Å; H348-L350 PolarHBondContact O-N 3.2Å; L350-D352 PolarHBondContact O-N 3.29Å; L350-E353 HydrophobicContact CB-CB 4.4Å; L350-E353 WeakPolarHBondContact O-CB 3.44Å; L350-E353 WeakPolarHBondContact O-CG 3.48Å; L350-E353 PolarHBondContact O-N 2.99Å; L350-M359 HydrophobicContact CD1-CE 4.29Å; L350-M359 HydrophobicContact CD1-CG 3.81Å; L350-M359 HydrophobicContact CD1-SD 4.29Å; L350-F437 HydrophobicContact CD2-CB 3.84Å; L350-F437 HydrophobicContact CD2-CD1 4.27Å; L350-F437 HydrophobicContact CD2-CD2 4.28Å; L350-F437 HydrophobicContact CD2-CG 3.89Å; L350-I443 HydrophobicContact CD2-CD1 4.5Å
351A92.2Very high95.3Very high79 Ų7931.5 Ų31.565%0.65316%0.162SC*.THydrogen-bonded Turntrans54.651.6177.600000113.8I347 E353I347-A351 PolarHBondContact O-N 3.33Å; A351-E353 PolarHBondContact O-N 3.09Å
352D92.5Very high95.2Very high94 Ų9431.6 Ų31.650%0.50316%0.162SC..THydrogen-bonded Turntrans65.614.3177.7-66.2-44.3000116I347 L350 Q354I347-D352 WeakPolarHBondContact O-CA 3.25Å; I347-D352 PolarHBondContact O-N 3.27Å; L350-D352 PolarHBondContact O-N 3.29Å; D352-Q354 PolarHBondContact O-N 3.47Å
353E94.3Very high95.2Very high56 Ų5634.6 Ų34.626%0.26218%0.18SC..  trans-73.6120.3172.9-72.4-77.5-167.600111.6L350 A351 K358 M359L350-E353 HydrophobicContact CB-CB 4.4Å; L350-E353 WeakPolarHBondContact O-CB 3.44Å; L350-E353 WeakPolarHBondContact O-CG 3.48Å; L350-E353 PolarHBondContact O-N 2.99Å; A351-E353 PolarHBondContact O-N 3.09Å; E353-K358 IonicContact OE1-NZ 2.85Å; E353-K358 PolarHBondContact OE1-NZ 3.08Å; E353-K358 WeakPolarHBondContact OE2-CD 3.2Å; E353-K358 IonicContact OE2-NZ 2.8Å; E353-K358 PolarHBondContact OE2-NZ 3.43Å; E353-M359 WeakPolarHBondContact O-CE 3.11Å
354Q95.3Very high95Very high48 Ų4843 Ų4322%0.22422%0.217CC..  trans-103.4-13.2-176.4-55.7-179.516.100113.6I298 I347 D352I298-Q354 PolarHBondContact N-O 3.36Å; I298-Q354 VanDerWaalsContact N-O 3.15Å; I347-Q354 HydrophobicContact CD1-CG 4.01Å; I347-Q354 HydrophobicContact CG1-CG 4.1Å; I347-Q354 HydrophobicContact CG2-CG 4.07Å; D352-Q354 PolarHBondContact O-N 3.47Å
355D96.8Very high94.8Very high39 Ų3945.5 Ų45.521%0.20923%0.232CC..BIsolated β-bridgetrans-78.5118.4-174.2-95.712.4000112.3R357 K358D355-R357 PolarHBondContact O-N 3.01Å; D355-R357 IonicContact OD2-CZ 2.69Å; D355-R357 IonicContact OD2-NE 3.09Å; D355-R357 IonicContact OD2-NH2 2.89Å; D355-R357 PolarHBondContact OD2-NH2 3.49Å; D355-K358 PolarHBondContact O-N 3.3Å
356I96.8Very high94.8Very high1 Ų145.5 Ų45.51%0.00523%0.232CC..G310 helixtrans-58.2-20.2177.165.3-177.6000114N296 I298 I301 K358 M359 R425 F429 V430 R436N296-I356 HydrophobicContact CB-CG1 4.47Å; N296-I356 WeakPolarHBondContact O-CG1 3.15Å; N296-I356 WeakPolarHBondContact O-CG2 3.5Å; N296-I356 PolarHBondContact O-N 3.24Å; I298-I356 HydrophobicContact CD1-CG2 3.86Å; I298-I356 HydrophobicContact CG1-CG2 3.21Å; I301-I356 HydrophobicContact CD1-CD1 4.11Å; I301-I356 HydrophobicContact CD1-CG2 4.31Å; I356-K358 VanDerWaalsContact C-N 3.3Å; I356-M359 PolarHBondContact O-N 3.48Å; I356-R425 HydrophobicContact CD1-CG 4.46Å; I356-F429 HydrophobicContact CB-CB 4.14Å; I356-F429 HydrophobicContact CD1-CB 4.22Å; I356-F429 HydrophobicContact CD1-CD2 3.98Å; I356-F429 HydrophobicContact CD1-CG 4.31Å; I356-F429 HydrophobicContact CG1-CB 4.31Å; I356-V430 HydrophobicContact CB-CG2 4.29Å; I356-V430 HydrophobicContact CG2-CG2 3.8Å; I356-R436 PolarHBondContact O-NH2 2.81Å
357R95.5Very high94.7Very high136 Ų13649.1 Ų49.151%0.51326%0.256SS..G310 helixtrans-71.4-27.7-180-63.9178.1-64.1178.8-0.6112.3D355 R436D355-R357 PolarHBondContact O-N 3.01Å; D355-R357 IonicContact OD2-CZ 2.69Å; D355-R357 IonicContact OD2-NE 3.09Å; D355-R357 IonicContact OD2-NH2 2.89Å; D355-R357 PolarHBondContact OD2-NH2 3.49Å; R357-R436 WeakPolarHBondContact O-CD 3.37Å; R357-R436 VanDerWaalsContact O-CZ 3.29Å; R357-R436 PolarHBondContact O-NE 3.25Å; R357-R436 PolarHBondContact O-NH1 3.42Å
358K94.7Very high94.8Very high86 Ų8651.1 Ų51.137%0.37426%0.264SS..G310 helixtrans-96.69.8177.6-63.4178.5-179.2173.70112.4E353 D355 I356 R436 F437E353-K358 IonicContact OE1-NZ 2.85Å; E353-K358 PolarHBondContact OE1-NZ 3.08Å; E353-K358 WeakPolarHBondContact OE2-CD 3.2Å; E353-K358 IonicContact OE2-NZ 2.8Å; E353-K358 PolarHBondContact OE2-NZ 3.43Å; D355-K358 PolarHBondContact O-N 3.3Å; I356-K358 VanDerWaalsContact C-N 3.3Å; K358-R436 CarbonylContact O-C 3.29Å; K358-R436 VanDerWaalsContact O-C 3.29Å; K358-F437 WeakPolarHBondContact O-CA 3.42Å; K358-F437 VanDerWaalsContact O-CB 3.29Å; K358-F437 WeakPolarHBondContact O-CB 3.45Å; K358-F437 PolarHBondContact O-N 3.29Å; K358-F437 VanDerWaalsContact O-N 3.11Å
359M95Very high94.9Very high0 Ų047.7 Ų47.70%025%0.249CC..  trans-107168.1176.7-59.9-174.7-173.800110.9I298 I346 L350 E353 I356 I362 V430 R436I298-M359 HydrophobicContact CD1-CE 3.64Å; I298-M359 HydrophobicContact CD1-SD 3.32Å; I298-M359 WeakPolarHBondContact CD1-SD 3.48Å; I298-M359 HydrophobicContact CG1-CE 4.4Å; I298-M359 HydrophobicContact CG1-SD 4.38Å; I346-M359 HydrophobicContact CG2-CE 3.95Å; I346-M359 HydrophobicContact CG2-SD 3.65Å; L350-M359 HydrophobicContact CD1-CE 4.29Å; L350-M359 HydrophobicContact CD1-CG 3.81Å; L350-M359 HydrophobicContact CD1-SD 4.29Å; E353-M359 WeakPolarHBondContact O-CE 3.11Å; I356-M359 PolarHBondContact O-N 3.48Å; M359-I362 HydrophobicContact CB-CD1 4.16Å; M359-I362 HydrophobicContact SD-CD1 4.4Å; M359-V430 HydrophobicContact SD-CG1 4.34Å; M359-V430 HydrophobicContact SD-CG2 4.26Å; M359-R436 PolarHBondContact O-NE 3Å; M359-R436 PolarHBondContact O-NH2 2.68Å
360G94.1Very high95.1Very high0 Ų047.8 Ų47.80%025%0.249CC..  trans163.8157.9172.300000112.4I362 V430 T433 F437G360-I362 PolarHBondContact O-N 3.15Å; G360-I362 VanDerWaalsContact O-N 3.13Å; G360-V430 CarbonylContact C-O 3.43Å; G360-V430 WeakPolarHBondContact CA-O 3.21Å; G360-T433 CarbonylContact C-O 3.47Å; G360-F437 WeakPolarHBondContact O-CE1 3.43Å
361S94.9Very high95.2Very high23 Ų2349.5 Ų49.516%0.16126%0.263CS..  trans54.629.1176.2-170.70000114.2T363 K364 T365 T431 T433S361-T363 PolarHBondContact O-N 3.34Å; S361-K364 PolarHBondContact O-N 2.91Å; S361-K364 VanDerWaalsContact O-N 3.12Å; S361-T365 PolarHBondContact O-N 2.93Å; S361-T431 WeakPolarHBondContact CA-O 3.39Å; S361-T433 WeakPolarHBondContact CA-O 3.38Å; S361-T433 PolarHBondContact N-O 3.44Å
362I95.4Very high95.5Very high3 Ų345.9 Ų45.92%0.01523%0.233CC..Hα-helixtrans-65.1-23.5-179.8-69.9164.9000111.9I346 M359 G360 K364 T365 M366 V430I346-I362 HydrophobicContact CD1-CD1 4.23Å; I346-I362 HydrophobicContact CD1-CG2 4.38Å; I346-I362 HydrophobicContact CG1-CD1 4.27Å; I346-I362 HydrophobicContact CG1-CG2 4.38Å; I346-I362 HydrophobicContact CG2-CD1 3.68Å; M359-I362 HydrophobicContact CB-CD1 4.16Å; M359-I362 HydrophobicContact SD-CD1 4.4Å; G360-I362 PolarHBondContact O-N 3.15Å; G360-I362 VanDerWaalsContact O-N 3.13Å; I362-K364 PolarHBondContact O-N 3.37Å; I362-T365 WeakPolarHBondContact CA-OG1 3.45Å; I362-T365 PolarHBondContact O-N 3.41Å; I362-M366 HydrophobicContact CG2-CB 4.03Å; I362-M366 CarbonylContact O-C 3.37Å; I362-M366 PolarHBondContact O-N 2.91Å; I362-V430 HydrophobicContact CB-CG1 4.49Å; I362-V430 WeakPolarHBondContact CB-O 3.08Å; I362-V430 HydrophobicContact CD1-CB 4.43Å; I362-V430 HydrophobicContact CD1-CG1 3.31Å; I362-V430 WeakPolarHBondContact CD1-O 3.35Å; I362-V430 HydrophobicContact CG1-CG1 4.41Å; I362-V430 WeakPolarHBondContact CG1-O 3.3Å; I362-V430 PolarHBondContact N-O 3.07Å
363T96.5Very high95.7Very high62 Ų6241.5 Ų41.538%0.3821%0.209SC..Hα-helixtrans-52.6-36.7171.545.70000113.6S361 T431S361-T363 PolarHBondContact O-N 3.34Å; T363-T431 WeakPolarHBondContact CG2-O 3.41Å; T363-T431 PolarHBondContact OG1-O 3.35Å
364K92.8Very high95.9Very high178 Ų17841.1 Ų41.177%0.77421%0.21SC*.Hα-helixtrans-92.1-33.2-179.2-65.4-173.4178.3-175.90112.8S361 I362S361-K364 PolarHBondContact O-N 2.91Å; S361-K364 VanDerWaalsContact O-N 3.12Å; I362-K364 PolarHBondContact O-N 3.37Å
365T92.8Very high96Very high51 Ų5141 Ų4131%0.31321%0.211SC..Hα-helixtrans-86.5-34.2-175.159.40000113.3S361 I362 F437 I443S361-T365 PolarHBondContact O-N 2.93Å; I362-T365 WeakPolarHBondContact CA-OG1 3.45Å; I362-T365 PolarHBondContact O-N 3.41Å; T365-F437 HydrophobicContact CG2-CZ 4.32Å; T365-I443 HydrophobicContact CG2-CD1 4.41Å
366M95.3Very high96Very high1 Ų139.1 Ų39.11%0.00520%0.201CC..SBendtrans-134.976176.8-53.317770.100110.1I346 S349 I362 F368 T369 S370 I443 E445I346-M366 HydrophobicContact CG1-SD 4.42Å; S349-M366 PolarHBondContact OG-SD 2.95Å; I362-M366 HydrophobicContact CG2-CB 4.03Å; I362-M366 CarbonylContact O-C 3.37Å; I362-M366 PolarHBondContact O-N 2.91Å; M366-F368 VanDerWaalsContact C-N 3.31Å; M366-F368 PolarHBondContact O-N 3.28Å; M366-T369 WeakPolarHBondContact CB-OG1 3.3Å; M366-T369 HydrophobicContact CE-CG2 4.21Å; M366-T369 PolarHBondContact O-OG1 3.37Å; M366-S370 WeakPolarHBondContact O-CB 3.16Å; M366-S370 PolarHBondContact O-N 3.18Å; M366-S370 PolarHBondContact O-OG 3.5Å; M366-I443 HydrophobicContact CE-CG2 4.45Å; M366-I443 HydrophobicContact CG-CG2 3.35Å; M366-I443 HydrophobicContact SD-CG2 3.81Å; M366-E445 WeakPolarHBondContact CA-OE2 3.38Å; M366-E445 HydrophobicContact CE-CB 4.47Å
367P96.3Very high96Very high76 Ų7639.4 Ų39.449%0.49420%0.203SC..Hα-helixtrans-63-36.3-171.525.1-33.9000112.4S370 S371P367-S370 WeakPolarHBondContact CA-OG 3.25Å; P367-S370 PolarHBondContact O-OG 3.4Å; P367-S371 WeakPolarHBondContact O-CB 3.29Å; P367-S371 PolarHBondContact O-N 3.33Å; P367-S371 PolarHBondContact O-OG 3.47Å
368F97.3Very high96.1Very high42 Ų4235.5 Ų35.518%0.18419%0.192CC..Hα-helixtrans-68.6-52.4-176.2171.8-98.5000111.4M366 S370 S371 C372 E445 M451 I454 K455M366-F368 VanDerWaalsContact C-N 3.31Å; M366-F368 PolarHBondContact O-N 3.28Å; F368-S370 VanDerWaalsContact C-N 3.33Å; F368-S370 PolarHBondContact O-N 2.95Å; F368-S371 PolarHBondContact O-N 2.97Å; F368-S371 PolarHBondContact O-OG 3.45Å; F368-C372 PolarHBondContact O-N 2.96Å; F368-C372 PolarHBondContact O-SG 3.38Å; F368-E445 HydrophobicContact CB-CG 4.45Å; F368-E445 WeakPolarHBondContact CB-OE1 3.24Å; F368-E445 HydrophobicContact CD1-CG 4.48Å; F368-E445 PolarHBondContact N-OE2 3.29Å; F368-M451 HydrophobicContact CB-CE 4.19Å; F368-M451 HydrophobicContact CD1-CE 4.27Å; F368-M451 HydrophobicContact CD1-CG 4.31Å; F368-M451 HydrophobicContact CD2-CE 4.34Å; F368-M451 HydrophobicContact CE1-CB 4.14Å; F368-M451 HydrophobicContact CE1-CG 4.29Å; F368-M451 HydrophobicContact CG-CE 4.01Å; F368-M451 HydrophobicContact CZ-CB 4.38Å; F368-M451 WeakPolarHBondContact CZ-O 3.33Å; F368-I454 HydrophobicContact CE1-CB 3.76Å; F368-I454 HydrophobicContact CE1-CD1 4.27Å; F368-I454 HydrophobicContact CE1-CG2 3.72Å; F368-I454 HydrophobicContact CZ-CB 4.02Å; F368-I454 HydrophobicContact CZ-CG2 3.91Å; F368-K455 HydrophobicContact CE2-CB 4.44Å; F368-K455 HydrophobicContact CZ-CB 4.1Å
369T97.1Very high96.2Very high0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-64.1-36.1176.645.40000112.3S345 M366 C372 L373 E445 L450 I454S345-T369 WeakPolarHBondContact OG-CG2 3.28Å; M366-T369 WeakPolarHBondContact CB-OG1 3.3Å; M366-T369 HydrophobicContact CE-CG2 4.21Å; M366-T369 PolarHBondContact O-OG1 3.37Å; T369-C372 PolarHBondContact O-N 3.23Å; T369-L373 WeakPolarHBondContact O-CB 3.36Å; T369-L373 PolarHBondContact O-N 3.02Å; T369-E445 WeakPolarHBondContact CA-OE1 3.48Å; T369-E445 WeakPolarHBondContact CB-OE1 3.18Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.05Å; T369-E445 PolarHBondContact N-OE1 3.15Å; T369-E445 PolarHBondContact OG1-OE1 3.26Å; T369-L450 HydrophobicContact CG2-CD2 4.44Å; T369-I454 HydrophobicContact CG2-CD1 4.05Å
370S97.1Very high96.2Very high10 Ų1031.7 Ų31.77%0.0718%0.176CC..Hα-helixtrans-62.4-43173.478.20000111.9M366 P367 F368 L373 V374M366-S370 WeakPolarHBondContact O-CB 3.16Å; M366-S370 PolarHBondContact O-N 3.18Å; M366-S370 PolarHBondContact O-OG 3.5Å; P367-S370 WeakPolarHBondContact CA-OG 3.25Å; P367-S370 PolarHBondContact O-OG 3.4Å; F368-S370 VanDerWaalsContact C-N 3.33Å; F368-S370 PolarHBondContact O-N 2.95Å; S370-L373 PolarHBondContact O-N 3.33Å; S370-V374 WeakPolarHBondContact O-CG2 3.32Å; S370-V374 PolarHBondContact O-N 3.08Å
371S97.4Very high96.3Very high54 Ų5432 Ų3238%0.37818%0.178SC..Hα-helixtrans-64.7-45178.2740000111.6P367 F368 L373 V374 I375P367-S371 WeakPolarHBondContact O-CB 3.29Å; P367-S371 PolarHBondContact O-N 3.33Å; P367-S371 PolarHBondContact O-OG 3.47Å; F368-S371 PolarHBondContact O-N 2.97Å; F368-S371 PolarHBondContact O-OG 3.45Å; S371-L373 PolarHBondContact O-N 2.9Å; S371-V374 PolarHBondContact O-N 3.44Å; S371-I375 VanDerWaalsContact O-CG1 3.28Å; S371-I375 WeakPolarHBondContact O-CG1 3.44Å; S371-I375 PolarHBondContact O-N 3.36Å
372C97.6Very high96.2Very high3 Ų331.6 Ų31.62%0.0218%0.177CC..Hα-helixtrans-67.9-36177.8-64.40000112.4M338 F368 T369 V374 I375 G376 I454M338-C372 VanDerWaalsContact CE-O 3.25Å; M338-C372 WeakPolarHBondContact CE-O 3.42Å; M338-C372 HydrophobicContact CG-CB 4.41Å; M338-C372 HydrophobicContact SD-CB 4.12Å; F368-C372 PolarHBondContact O-N 2.96Å; F368-C372 PolarHBondContact O-SG 3.38Å; T369-C372 PolarHBondContact O-N 3.23Å; C372-V374 VanDerWaalsContact C-N 3.34Å; C372-I375 PolarHBondContact O-N 3.37Å; C372-G376 PolarHBondContact O-N 3.3Å; C372-I454 HydrophobicContact CB-CG2 3.54Å; C372-I454 VanDerWaalsContact SG-CG2 3.5Å
373L97.6Very high96.2Very high3 Ų336 Ų362%0.01620%0.199CC..Hα-helixtrans-62.3-42.4173.7-175.8149.4000111.2L339 C342 I346 T369 S370 S371 G376 S377 I426 I427 T431L339-L373 HydrophobicContact CD2-CG 4.3Å; C342-L373 HydrophobicContact CB-CB 4.16Å; C342-L373 HydrophobicContact CB-CD1 4.43Å; I346-L373 HydrophobicContact CD1-CD1 3.94Å; T369-L373 WeakPolarHBondContact O-CB 3.36Å; T369-L373 PolarHBondContact O-N 3.02Å; S370-L373 PolarHBondContact O-N 3.33Å; S371-L373 PolarHBondContact O-N 2.9Å; L373-G376 PolarHBondContact O-N 3.01Å; L373-S377 PolarHBondContact O-N 3.36Å; L373-S377 PolarHBondContact O-OG 3.22Å; L373-I426 HydrophobicContact CD1-CG2 4.29Å; L373-I426 HydrophobicContact CD2-CG2 4.01Å; L373-I427 HydrophobicContact CD2-CG1 4.43Å; L373-T431 HydrophobicContact CD2-CG2 4.21Å
374V97.9Very high96.1Very high47 Ų4734.7 Ų34.729%0.28519%0.191SC..Hα-helixtrans-67.4-41176.2173.70000111.7S370 S371 C372 G376 S377 L378 I427S370-V374 WeakPolarHBondContact O-CG2 3.32Å; S370-V374 PolarHBondContact O-N 3.08Å; S371-V374 PolarHBondContact O-N 3.44Å; C372-V374 VanDerWaalsContact C-N 3.34Å; V374-G376 VanDerWaalsContact C-N 3.28Å; V374-G376 PolarHBondContact O-N 3.47Å; V374-S377 WeakPolarHBondContact CA-OG 3.1Å; V374-S377 PolarHBondContact O-N 2.85Å; V374-S377 PolarHBondContact O-OG 3.08Å; V374-L378 HydrophobicContact CG1-CD1 3.88Å; V374-L378 HydrophobicContact CG1-CG 4.34Å; V374-L378 WeakPolarHBondContact O-CB 3.18Å; V374-L378 VanDerWaalsContact O-CG 3.32Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 3.15Å; V374-I427 HydrophobicContact CG2-CG1 4.4Å
375I97.9Very high96.1Very high46 Ų4633.8 Ų33.824%0.23619%0.187CC..Hα-helixtrans-59.6-43.3173.7-66.3162.9000110M338 S371 C372 L378 A379 I462M338-I375 HydrophobicContact CE-CB 4.32Å; M338-I375 HydrophobicContact CE-CG2 4.16Å; S371-I375 VanDerWaalsContact O-CG1 3.28Å; S371-I375 WeakPolarHBondContact O-CG1 3.44Å; S371-I375 PolarHBondContact O-N 3.36Å; C372-I375 PolarHBondContact O-N 3.37Å; I375-L378 PolarHBondContact O-N 3.14Å; I375-A379 VanDerWaalsContact O-CB 3.32Å; I375-A379 WeakPolarHBondContact O-CB 3.21Å; I375-A379 PolarHBondContact O-N 3.47Å; I375-I462 HydrophobicContact CG2-CG1 4.27Å
376G96.8Very high96.3Very high0 Ų032.5 Ų32.50%018%0.179CC..Hα-helixtrans-66.2-39.6179.500000113.8C372 L373 V374 L380C372-G376 PolarHBondContact O-N 3.3Å; L373-G376 PolarHBondContact O-N 3.01Å; V374-G376 VanDerWaalsContact C-N 3.28Å; V374-G376 PolarHBondContact O-N 3.47Å; G376-L380 WeakPolarHBondContact O-CB 3.48Å; G376-L380 PolarHBondContact O-N 2.98Å
377S97.1Very high96.2Very high6 Ų632.5 Ų32.54%0.04218%0.179CC..Hα-helixtrans-70.9-38.1176.657.50000112.2L373 V374 L380 T381 I427L373-S377 PolarHBondContact O-N 3.36Å; L373-S377 PolarHBondContact O-OG 3.22Å; V374-S377 WeakPolarHBondContact CA-OG 3.1Å; V374-S377 PolarHBondContact O-N 2.85Å; V374-S377 PolarHBondContact O-OG 3.08Å; S377-L380 PolarHBondContact O-N 3.24Å; S377-T381 WeakPolarHBondContact O-CG2 3.32Å; S377-T381 PolarHBondContact O-N 3.16Å; S377-T381 PolarHBondContact O-OG1 2.62Å; S377-T381 VanDerWaalsContact O-OG1 3.08Å; S377-I427 VanDerWaalsContact OG-CD1 3.32Å; S377-I427 WeakPolarHBondContact OG-CD1 3.26Å
378L96.9Very high96.1Very high55 Ų5528.9 Ų28.929%0.28816%0.156SC..Hα-helixtrans-66.4-40.9173-71.3172.5000112.1V374 I375 L380 T381 G382 M383 L386 F498V374-L378 HydrophobicContact CG1-CD1 3.88Å; V374-L378 HydrophobicContact CG1-CG 4.34Å; V374-L378 WeakPolarHBondContact O-CB 3.18Å; V374-L378 VanDerWaalsContact O-CG 3.32Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 3.15Å; I375-L378 PolarHBondContact O-N 3.14Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 2.74Å; L378-T381 WeakPolarHBondContact CA-OG1 3.44Å; L378-T381 PolarHBondContact O-N 3.34Å; L378-T381 PolarHBondContact O-OG1 2.9Å; L378-G382 PolarHBondContact O-N 3.25Å; L378-M383 HydrophobicContact CB-CB 4.16Å; L378-M383 WeakPolarHBondContact O-CB 3.41Å; L378-M383 PolarHBondContact O-N 3.12Å; L378-M383 VanDerWaalsContact O-N 3.1Å; L378-L386 HydrophobicContact CB-CD1 3.81Å; L378-F498 HydrophobicContact CD2-CZ 4.22Å
379A96.6Very high96Very high0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-62.3-41.4173.800000111.6F335 I375 T381 G382 L386 G388F335-A379 HydrophobicContact CB-CB 3.99Å; F335-A379 HydrophobicContact CD1-CB 4.27Å; F335-A379 HydrophobicContact CG-CB 4.3Å; I375-A379 VanDerWaalsContact O-CB 3.32Å; I375-A379 WeakPolarHBondContact O-CB 3.21Å; I375-A379 PolarHBondContact O-N 3.47Å; A379-T381 PolarHBondContact O-N 3.21Å; A379-G382 PolarHBondContact O-N 3.43Å; A379-L386 HydrophobicContact CB-CB 4.16Å; A379-L386 HydrophobicContact CB-CD1 4.17Å; A379-G388 WeakPolarHBondContact O-CA 3.43Å
380L95.6Very high95.9Very high5 Ų531.2 Ų31.23%0.02617%0.165CC..Hα-helixtrans-64.3-37.6177178.9153.7000113F335 K336 L339 G376 S377 L378 G382 K392 Y422F335-L380 HydrophobicContact CD2-CB 4.05Å; F335-L380 HydrophobicContact CE2-CB 4.02Å; F335-L380 HydrophobicContact CE2-CD1 4.39Å; F335-L380 HydrophobicContact CE2-CG 4.24Å; K336-L380 HydrophobicContact CD-CD1 4.32Å; L339-L380 HydrophobicContact CD1-CD1 3.94Å; G376-L380 WeakPolarHBondContact O-CB 3.48Å; G376-L380 PolarHBondContact O-N 2.98Å; S377-L380 PolarHBondContact O-N 3.24Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 2.74Å; L380-G382 VanDerWaalsContact C-N 3.3Å; L380-K392 PolarHBondContact O-NZ 3.49Å; L380-Y422 HydrophobicContact CD2-CE2 3.89Å
381T94.7Very high95.8Very high7 Ų730.7 Ų30.74%0.04316%0.161CC..Hα-helixtrans-72.8-26.5-179.947.80000112.5S377 L378 A379 K392 A420 S423 F498S377-T381 WeakPolarHBondContact O-CG2 3.32Å; S377-T381 PolarHBondContact O-N 3.16Å; S377-T381 PolarHBondContact O-OG1 2.62Å; S377-T381 VanDerWaalsContact O-OG1 3.08Å; L378-T381 WeakPolarHBondContact CA-OG1 3.44Å; L378-T381 PolarHBondContact O-N 3.34Å; L378-T381 PolarHBondContact O-OG1 2.9Å; A379-T381 PolarHBondContact O-N 3.21Å; T381-K392 PolarHBondContact O-NZ 3.36Å; T381-A420 HydrophobicContact CG2-CB 4.09Å; T381-S423 WeakPolarHBondContact CG2-OG 3.41Å; T381-F498 HydrophobicContact CG2-CE2 3.74Å; T381-F498 HydrophobicContact CG2-CZ 3.57Å
382G93.3Very high95.7Very high14 Ų1428.5 Ų28.514%0.14415%0.145CC..THydrogen-bonded Turntrans104.431.7177.200000112.9L378 A379 L380L378-G382 PolarHBondContact O-N 3.25Å; A379-G382 PolarHBondContact O-N 3.43Å; L380-G382 VanDerWaalsContact C-N 3.3Å
383M94.8Very high95.7Very high96 Ų9629.1 Ų29.147%0.47315%0.148SC..  trans-54.4134.1175.8-174.967.5-169.900110.7L378 L386 F389L378-M383 HydrophobicContact CB-CB 4.16Å; L378-M383 WeakPolarHBondContact O-CB 3.41Å; L378-M383 PolarHBondContact O-N 3.12Å; L378-M383 VanDerWaalsContact O-N 3.1Å; M383-L386 HydrophobicContact CB-CD1 4.01Å; M383-L386 HydrophobicContact CB-CG 4.44Å; M383-L386 HydrophobicContact CG-CD1 4.38Å; M383-L386 PolarHBondContact O-N 2.61Å; M383-F389 WeakPolarHBondContact O-CB 3.41Å
384P94.9Very high95.5Very high35 Ų3531.6 Ų31.623%0.22716%0.161CC..THydrogen-bonded Turntrans-51.6141.1178.8-2936.1000112.8L386 F389 L491P384-L386 PolarHBondContact O-N 3.38Å; P384-L386 VanDerWaalsContact O-N 3.14Å; P384-F389 HydrophobicContact CB-CD2 4.46Å; P384-L491 HydrophobicContact CG-CD1 3.43Å; P384-L491 VanDerWaalsContact CG-CD1 3.43Å
385F94.1Very high95.5Very high158 Ų15829.4 Ų29.469%0.69315%0.148SC*.THydrogen-bonded Turntrans66.4-2.8-179.3-50.3-71.3000117
386L96.1Very high95.4Very high25 Ų2527.3 Ų27.313%0.13114%0.137CC..SBendtrans-86161162.8-64.6-177.4000110.4L378 A379 M383 P384 G388 F389 I462L378-L386 HydrophobicContact CB-CD1 3.81Å; A379-L386 HydrophobicContact CB-CB 4.16Å; A379-L386 HydrophobicContact CB-CD1 4.17Å; M383-L386 HydrophobicContact CB-CD1 4.01Å; M383-L386 HydrophobicContact CB-CG 4.44Å; M383-L386 HydrophobicContact CG-CD1 4.38Å; M383-L386 PolarHBondContact O-N 2.61Å; P384-L386 PolarHBondContact O-N 3.38Å; P384-L386 VanDerWaalsContact O-N 3.14Å; L386-G388 PolarHBondContact O-N 3.2Å; L386-F389 WeakPolarHBondContact O-CB 3.32Å; L386-F389 PolarHBondContact O-N 3.39Å; L386-I462 HydrophobicContact CD2-CB 4.37Å; L386-I462 HydrophobicContact CD2-CG1 3.88Å; L386-I462 HydrophobicContact CD2-CG2 4.41Å
387T93.4Very high95.3Very high0 Ų027.7 Ų27.70%014%0.139CC..THydrogen-bonded Turntrans-60.2-26.6-170.156.90000114.9T331 F389 G460 S461 A464T331-T387 WeakPolarHBondContact CG2-O 3.36Å; T387-F389 VanDerWaalsContact C-N 3.31Å; T387-F389 PolarHBondContact O-N 3.41Å; T387-G460 VanDerWaalsContact CG2-O 3.27Å; T387-G460 WeakPolarHBondContact CG2-O 3.41Å; T387-S461 VanDerWaalsContact CG2-C 3.42Å; T387-S461 VanDerWaalsContact CG2-O 3.28Å; T387-S461 WeakPolarHBondContact CG2-O 3.49Å; T387-S461 PolarHBondContact N-O 3.17Å; T387-S461 PolarHBondContact OG1-O 3.39Å; T387-S461 VanDerWaalsContact OG1-O 3.07Å; T387-A464 HydrophobicContact CG2-CB 4.48Å
388G92.9Very high95.1Very high1 Ų127.6 Ų27.61%0.0114%0.139CC..THydrogen-bonded Turntrans-66.9-29.9176.900000113.5A379 L386 S391 K392A379-G388 WeakPolarHBondContact O-CA 3.43Å; L386-G388 PolarHBondContact O-N 3.2Å; G388-S391 PolarHBondContact O-N 2.91Å; G388-S391 PolarHBondContact O-OG 3.1Å; G388-K392 WeakPolarHBondContact O-CB 3.49Å; G388-K392 PolarHBondContact O-N 2.97Å
389F96Very high95Very high56 Ų5625.1 Ų25.125%0.24613%0.125CC..Hα-helixtrans-62-46.5179.9175.7-101.2000111.6M383 P384 L386 T387 S391 D393M383-F389 WeakPolarHBondContact O-CB 3.41Å; P384-F389 HydrophobicContact CB-CD2 4.46Å; L386-F389 WeakPolarHBondContact O-CB 3.32Å; L386-F389 PolarHBondContact O-N 3.39Å; T387-F389 VanDerWaalsContact C-N 3.31Å; T387-F389 PolarHBondContact O-N 3.41Å; F389-S391 PolarHBondContact O-N 3.45Å; F389-D393 HydrophobicContact CD2-CB 3.77Å; F389-D393 HydrophobicContact CE2-CB 3.65Å; F389-D393 HydrophobicContact CG-CB 4.39Å; F389-D393 HydrophobicContact CZ-CB 4.18Å; F389-D393 WeakPolarHBondContact O-CB 3.35Å; F389-D393 PolarHBondContact O-N 2.76Å; F389-D393 VanDerWaalsContact O-N 3.1Å
390Y95.5Very high94.9Very high34 Ų3426.3 Ų26.313%0.13313%0.132CC..Hα-helixtrans-60.4-17.5-177.8-64.5-78.1000115L394 F466 S469Y390-L394 VanDerWaalsContact O-CD1 3.29Å; Y390-L394 WeakPolarHBondContact O-CD1 3.42Å; Y390-F466 HydrophobicContact CE1-CB 4.4Å; Y390-F466 AromaticContact CE1-CD2 4Å; Y390-F466 HydrophobicContact CE1-CD2 4Å; Y390-F466 HydrophobicContact CE2-CB 3.74Å; Y390-F466 AromaticContact CZ-CD2 3.7Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.32Å; Y390-S469 VanDerWaalsContact CD1-OG 3.28Å; Y390-S469 WeakPolarHBondContact CD1-OG 3.44Å
391S95.3Very high94.8Very high0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-107.3-57.6170.6430000111.5H328 T331 G388 F389 D393 L394 I395H328-S391 WeakPolarHBondContact ND1-CB 3.45Å; H328-S391 PolarHBondContact ND1-OG 3.3Å; T331-S391 PolarHBondContact OG1-OG 3.28Å; G388-S391 PolarHBondContact O-N 2.91Å; G388-S391 PolarHBondContact O-OG 3.1Å; F389-S391 PolarHBondContact O-N 3.45Å; S391-D393 VanDerWaalsContact C-N 3.32Å; S391-D393 PolarHBondContact O-N 3.15Å; S391-L394 PolarHBondContact O-N 3.27Å; S391-I395 VanDerWaalsContact O-CG1 3.26Å; S391-I395 WeakPolarHBondContact O-CG1 3.32Å; S391-I395 PolarHBondContact O-N 3.11Å
392K95.6Very high94.5Very high8 Ų830.6 Ų30.64%0.03516%0.16CC..Hα-helixtrans-64.4-35.6-167-162.5180-177.5-171.10112.3L312 L380 T381 G388 I395 I396 T419L312-K392 HydrophobicContact CD2-CG 4.11Å; L380-K392 PolarHBondContact O-NZ 3.49Å; T381-K392 PolarHBondContact O-NZ 3.36Å; G388-K392 WeakPolarHBondContact O-CB 3.49Å; G388-K392 PolarHBondContact O-N 2.97Å; K392-I395 PolarHBondContact O-N 3.4Å; K392-I396 WeakPolarHBondContact O-CG1 3.36Å; K392-I396 PolarHBondContact O-N 3Å; K392-I396 VanDerWaalsContact O-N 3.14Å; K392-T419 PolarHBondContact NZ-OG1 2.97Å
393D95.9Very high94.2Very high16 Ų1638.2 Ų38.29%0.08620%0.197CC..Hα-helixtrans-64.2-49.9175.9-170.668.7000111.1F389 S391 I395 I396 E397 K487F389-D393 HydrophobicContact CD2-CB 3.77Å; F389-D393 HydrophobicContact CE2-CB 3.65Å; F389-D393 HydrophobicContact CG-CB 4.39Å; F389-D393 HydrophobicContact CZ-CB 4.18Å; F389-D393 WeakPolarHBondContact O-CB 3.35Å; F389-D393 PolarHBondContact O-N 2.76Å; F389-D393 VanDerWaalsContact O-N 3.1Å; S391-D393 VanDerWaalsContact C-N 3.32Å; S391-D393 PolarHBondContact O-N 3.15Å; D393-I395 PolarHBondContact O-N 3.48Å; D393-I396 PolarHBondContact O-N 3.41Å; D393-I396 VanDerWaalsContact O-N 3.13Å; D393-E397 WeakPolarHBondContact O-CB 3.49Å; D393-E397 PolarHBondContact O-N 2.91Å; D393-K487 IonicContact OD2-NZ 2.66Å; D393-K487 PolarHBondContact OD2-NZ 3.49Å
394L95.1Very high93.7Very high55 Ų5535.6 Ų35.629%0.28819%0.187SC..Hα-helixtrans-60.2-34.7177-63.3-179.6000112.1L324 Y390 S391 E397 A398L324-L394 HydrophobicContact CD1-CB 3.71Å; L324-L394 HydrophobicContact CD1-CD1 3.97Å; L324-L394 HydrophobicContact CD1-CG 4.49Å; L324-L394 HydrophobicContact CD2-CB 4.02Å; Y390-L394 VanDerWaalsContact O-CD1 3.29Å; Y390-L394 WeakPolarHBondContact O-CD1 3.42Å; S391-L394 PolarHBondContact O-N 3.27Å; L394-E397 VanDerWaalsContact CD2-OE2 3.29Å; L394-E397 WeakPolarHBondContact CD2-OE2 3.37Å; L394-E397 PolarHBondContact O-N 3.4Å; L394-A398 VanDerWaalsContact O-CB 3.3Å; L394-A398 WeakPolarHBondContact O-CB 3.41Å; L394-A398 PolarHBondContact O-N 3.02Å
395I96.3Very high93.6Very high1 Ų137.4 Ų37.41%0.00520%0.195CC..Hα-helixtrans-64.8-44.4177.2-69.9170.2000110.5L312 T316 L324 H328 S391 K392 D393 A398 I399L312-I395 HydrophobicContact CD1-CG2 3.82Å; L312-I395 HydrophobicContact CD2-CD1 4.26Å; L312-I395 HydrophobicContact CD2-CG2 4.28Å; L312-I395 HydrophobicContact CG-CG2 3.97Å; T316-I395 HydrophobicContact CG2-CB 3.93Å; T316-I395 HydrophobicContact CG2-CD1 3.69Å; T316-I395 HydrophobicContact CG2-CG1 3.45Å; T316-I395 VanDerWaalsContact CG2-CG1 3.45Å; T316-I395 HydrophobicContact CG2-CG2 3.32Å; L324-I395 HydrophobicContact CD1-CG1 4.29Å; L324-I395 HydrophobicContact CD2-CB 4.19Å; L324-I395 HydrophobicContact CD2-CG1 3.43Å; L324-I395 VanDerWaalsContact CD2-CG1 3.43Å; L324-I395 HydrophobicContact CG-CD1 4.39Å; L324-I395 HydrophobicContact CG-CG1 3.6Å; H328-I395 HydrophobicContact CB-CD1 3.92Å; S391-I395 VanDerWaalsContact O-CG1 3.26Å; S391-I395 WeakPolarHBondContact O-CG1 3.32Å; S391-I395 PolarHBondContact O-N 3.11Å; K392-I395 PolarHBondContact O-N 3.4Å; D393-I395 PolarHBondContact O-N 3.48Å; I395-A398 PolarHBondContact O-N 3.04Å; I395-I399 PolarHBondContact O-N 3.27Å
396I95.6Very high93.6Very high1 Ų133.5 Ų33.51%0.00519%0.192CC..Hα-helixtrans-74.5-33-179.7-61.2-60.6000111.3L312 K392 D393 I399 N400 L413 T416 T489 A490L312-I396 HydrophobicContact CD1-CD1 4.47Å; K392-I396 WeakPolarHBondContact O-CG1 3.36Å; K392-I396 PolarHBondContact O-N 3Å; K392-I396 VanDerWaalsContact O-N 3.14Å; D393-I396 PolarHBondContact O-N 3.41Å; D393-I396 VanDerWaalsContact O-N 3.13Å; I396-I399 HydrophobicContact CD1-CG2 4.32Å; I396-I399 WeakPolarHBondContact O-CG2 3.33Å; I396-N400 WeakPolarHBondContact O-CB 3.43Å; I396-N400 PolarHBondContact O-N 2.99Å; I396-N400 VanDerWaalsContact O-N 3.12Å; I396-N400 PolarHBondContact O-ND2 3.29Å; I396-N400 VanDerWaalsContact O-ND2 3.15Å; I396-L413 HydrophobicContact CD1-CD2 4.37Å; I396-L413 HydrophobicContact CG2-CD2 3.76Å; I396-T416 HydrophobicContact CD1-CG2 3.72Å; I396-T416 HydrophobicContact CG1-CG2 4.32Å; I396-T489 WeakPolarHBondContact CG2-OG1 3.41Å; I396-A490 HydrophobicContact CB-CB 4.03Å; I396-A490 HydrophobicContact CG1-CB 4.13Å; I396-A490 HydrophobicContact CG2-CB 4.01Å
397E95.1Very high93.6Very high8 Ų838 Ų384%0.03721%0.207CC..Hα-helixtrans-60.5-46.4168.9164.2166.1-124.100111.5D393 L394 N400 T401 M482 K487D393-E397 WeakPolarHBondContact O-CB 3.49Å; D393-E397 PolarHBondContact O-N 2.91Å; L394-E397 VanDerWaalsContact CD2-OE2 3.29Å; L394-E397 WeakPolarHBondContact CD2-OE2 3.37Å; L394-E397 PolarHBondContact O-N 3.4Å; E397-N400 PolarHBondContact O-N 3.44Å; E397-T401 WeakPolarHBondContact O-CB 3.19Å; E397-T401 VanDerWaalsContact O-CG2 3.31Å; E397-T401 WeakPolarHBondContact O-CG2 3.4Å; E397-T401 PolarHBondContact O-N 2.95Å; E397-T401 PolarHBondContact O-OG1 2.92Å; E397-M482 HydrophobicContact CB-CE 3.83Å; E397-M482 VanDerWaalsContact CD-CE 3.44Å; E397-M482 HydrophobicContact CG-CE 3.32Å; E397-M482 HydrophobicContact CG-SD 4.35Å; E397-M482 WeakPolarHBondContact OE1-CE 3.35Å; E397-K487 WeakPolarHBondContact OE1-CD 3.25Å; E397-K487 IonicContact OE1-NZ 3.32Å; E397-K487 PolarHBondContact OE1-NZ 3.33Å; E397-K487 IonicContact OE2-NZ 2.83Å; E397-K487 PolarHBondContact OE2-NZ 2.92Å
398A94.1Very high93.7Very high5 Ų538 Ų384%0.04121%0.207CC..Hα-helixtrans-62-47.4177.100000112.1M319 Q321 L394 I395 N400 T401 C402M319-A398 HydrophobicContact CE-CB 4Å; M319-A398 WeakPolarHBondContact CE-O 3.49Å; Q321-A398 VanDerWaalsContact CD-CB 3.45Å; Q321-A398 VanDerWaalsContact NE2-CB 3.32Å; L394-A398 VanDerWaalsContact O-CB 3.3Å; L394-A398 WeakPolarHBondContact O-CB 3.41Å; L394-A398 PolarHBondContact O-N 3.02Å; I395-A398 PolarHBondContact O-N 3.04Å; A398-N400 VanDerWaalsContact C-N 3.3Å; A398-N400 PolarHBondContact O-N 3.13Å; A398-T401 PolarHBondContact O-N 3.22Å; A398-T401 PolarHBondContact O-OG1 3.25Å; A398-T401 VanDerWaalsContact O-OG1 3.12Å; A398-C402 WeakPolarHBondContact O-CB 3.24Å; A398-C402 PolarHBondContact O-N 3.04Å
399I94.4Very high93.8Very high2 Ų240 Ų401%0.0122%0.217CC..Hα-helixtrans-61.3-40-179.1-155.5172.1000112.5V315 M319 I395 I396 T401 L409 T412V315-I399 HydrophobicContact CG1-CD1 3.66Å; M319-I399 VanDerWaalsContact CE-CA 3.45Å; M319-I399 HydrophobicContact CE-CB 4.32Å; M319-I399 WeakPolarHBondContact SD-CA 3.32Å; M319-I399 HydrophobicContact SD-CB 3.65Å; M319-I399 HydrophobicContact SD-CD1 4.45Å; M319-I399 HydrophobicContact SD-CG1 3.68Å; I395-I399 PolarHBondContact O-N 3.27Å; I396-I399 HydrophobicContact CD1-CG2 4.32Å; I396-I399 WeakPolarHBondContact O-CG2 3.33Å; I399-T401 VanDerWaalsContact C-N 3.31Å; I399-T401 PolarHBondContact O-N 3.15Å; I399-L409 HydrophobicContact CD1-CB 4.37Å; I399-L409 HydrophobicContact CG1-CB 4.29Å; I399-L409 HydrophobicContact CG1-CG 4.49Å; I399-L409 WeakPolarHBondContact O-CD1 3.26Å; I399-T412 HydrophobicContact CD1-CG2 4.14Å; I399-T412 VanDerWaalsContact CD1-OG1 3.26Å; I399-T412 WeakPolarHBondContact CD1-OG1 3.11Å
400N94Very high93.8Very high25 Ų2541.9 Ų41.913%0.13423%0.229CC..Hα-helixtrans-71.7-24.2-179.9-70.5-22.3000113.9I396 E397 A398 L486 T489I396-N400 WeakPolarHBondContact O-CB 3.43Å; I396-N400 PolarHBondContact O-N 2.99Å; I396-N400 VanDerWaalsContact O-N 3.12Å; I396-N400 PolarHBondContact O-ND2 3.29Å; I396-N400 VanDerWaalsContact O-ND2 3.15Å; E397-N400 PolarHBondContact O-N 3.44Å; A398-N400 VanDerWaalsContact C-N 3.3Å; A398-N400 PolarHBondContact O-N 3.13Å; N400-L486 HydrophobicContact CB-CD2 4.38Å; N400-T489 PolarHBondContact ND2-OG1 2.96Å
401T93.1Very high93.9Very high46 Ų4640.7 Ų40.728%0.28223%0.225SC..Hα-helixtrans-99-15.8-175.851.80000113.4E397 A398 I399 V479 M482E397-T401 WeakPolarHBondContact O-CB 3.19Å; E397-T401 VanDerWaalsContact O-CG2 3.31Å; E397-T401 WeakPolarHBondContact O-CG2 3.4Å; E397-T401 PolarHBondContact O-N 2.95Å; E397-T401 PolarHBondContact O-OG1 2.92Å; A398-T401 PolarHBondContact O-N 3.22Å; A398-T401 PolarHBondContact O-OG1 3.25Å; A398-T401 VanDerWaalsContact O-OG1 3.12Å; I399-T401 VanDerWaalsContact C-N 3.31Å; I399-T401 PolarHBondContact O-N 3.15Å; T401-V479 HydrophobicContact CG2-CG1 4.24Å; T401-M482 HydrophobicContact CG2-CB 4.35Å; T401-M482 HydrophobicContact CG2-SD 3.76Å
402C88.8Confident93.9Very high57 Ų5740.7 Ų40.739%0.38523%0.225SC..SBendtrans-89.2146-178.8-164.40000112.3M319 A398 T404M319-C402 HydrophobicContact CE-CB 3.24Å; A398-C402 WeakPolarHBondContact O-CB 3.24Å; A398-C402 PolarHBondContact O-N 3.04Å; C402-T404 HydrophobicContact CB-CG2 3.8Å; C402-T404 PolarHBondContact O-N 2.81Å; C402-T404 VanDerWaalsContact SG-CG2 3.55Å
403N87.4Confident94Very high173 Ų17341.7 Ų41.793%0.92523%0.231SC*.  trans-74.255.8176-64.2-13.5000111.8
404T84.1Confident94.1Very high41 Ų4144.2 Ų44.225%0.25224%0.243SC..  trans-97.4-176.2-178.262.50000111.9L278 M319 C402 A406L278-T404 HydrophobicContact CD1-CG2 3.77Å; M319-T404 HydrophobicContact CE-CG2 4.3Å; M319-T404 HydrophobicContact CG-CG2 4.18Å; C402-T404 HydrophobicContact CB-CG2 3.8Å; C402-T404 PolarHBondContact O-N 2.81Å; C402-T404 VanDerWaalsContact SG-CG2 3.55Å; T404-A406 PolarHBondContact O-N 3.07Å
405N92.9Very high94.2Very high74 Ų7441.8 Ų41.840%0.39623%0.231SC..  trans-67.2116.7176.7-174.7-6.3000111.4L278 W407 A408 L409L278-N405 HydrophobicContact CD2-CB 3.84Å; N405-W407 PolarHBondContact O-N 2.96Å; N405-W407 VanDerWaalsContact O-N 3.16Å; N405-W407 WeakPolarHBondContact OD1-CB 3.45Å; N405-W407 PolarHBondContact OD1-N 3.46Å; N405-W407 VanDerWaalsContact OD1-N 3.1Å; N405-A408 HydrophobicContact CB-CB 4.33Å; N405-A408 PolarHBondContact O-N 3.33Å; N405-A408 VanDerWaalsContact O-N 3.09Å; N405-L409 PolarHBondContact O-N 3.16Å
406A93.9Very high94.2Very high76 Ų7642.1 Ų42.163%0.62823%0.233SC*.Hα-helixtrans-56-33.1179.200000113.4T404 L409 L410T404-A406 PolarHBondContact O-N 3.07Å; A406-L409 PolarHBondContact O-N 3.1Å; A406-L410 WeakPolarHBondContact O-CB 3.31Å; A406-L410 PolarHBondContact O-N 2.88Å
407W95.9Very high94.3Very high120 Ų12042.8 Ų42.846%0.45524%0.239SC..Hα-helixtrans-66.3-41.8178.6178.585.3000112.2L283 N405 L410 I411L283-W407 HydrophobicContact CD1-CH2 4.29Å; L283-W407 HydrophobicContact CD2-CH2 3.47Å; L283-W407 VanDerWaalsContact CD2-CH2 3.47Å; L283-W407 HydrophobicContact CD2-CZ2 4.16Å; L283-W407 HydrophobicContact CD2-CZ3 4.46Å; L283-W407 HydrophobicContact CG-CH2 3.6Å; L283-W407 HydrophobicContact CG-CZ3 4.14Å; N405-W407 PolarHBondContact O-N 2.96Å; N405-W407 VanDerWaalsContact O-N 3.16Å; N405-W407 WeakPolarHBondContact OD1-CB 3.45Å; N405-W407 PolarHBondContact OD1-N 3.46Å; N405-W407 VanDerWaalsContact OD1-N 3.1Å; W407-L410 PolarHBondContact O-N 2.84Å; W407-I411 HydrophobicContact CD2-CD1 3.59Å; W407-I411 HydrophobicContact CD2-CG1 4.42Å; W407-I411 HydrophobicContact CE3-CD1 4.01Å; W407-I411 HydrophobicContact CG-CD1 4.28Å; W407-I411 HydrophobicContact CH2-CD1 3.62Å; W407-I411 HydrophobicContact CZ2-CD1 3.11Å; W407-I411 HydrophobicContact CZ3-CD1 4.03Å; W407-I411 WeakPolarHBondContact O-CB 3.44Å; W407-I411 WeakPolarHBondContact O-CG1 3.45Å; W407-I411 PolarHBondContact O-N 3.05Å
408A95.6Very high94.4Very high0 Ų044.3 Ų44.30%025%0.246CC..Hα-helixtrans-67.3-38.9177.900000111.5L278 A282 N405 I411 T412L278-A408 HydrophobicContact CD2-CB 3.22Å; L278-A408 HydrophobicContact CG-CB 4.02Å; A282-A408 HydrophobicContact CB-CB 3.71Å; N405-A408 HydrophobicContact CB-CB 4.33Å; N405-A408 PolarHBondContact O-N 3.33Å; N405-A408 VanDerWaalsContact O-N 3.09Å; A408-I411 PolarHBondContact O-N 3.26Å; A408-T412 WeakPolarHBondContact O-CB 3.31Å; A408-T412 WeakPolarHBondContact O-CG2 3.38Å; A408-T412 PolarHBondContact O-N 3.29Å; A408-T412 PolarHBondContact O-OG1 2.91Å
409L95.5Very high94.6Very high41 Ų4144.2 Ų44.222%0.21525%0.245CC..Hα-helixtrans-58.2-52.4171.9177.8154.9000111.2I399 N405 A406 I411 T412 L413I399-L409 HydrophobicContact CD1-CB 4.37Å; I399-L409 HydrophobicContact CG1-CB 4.29Å; I399-L409 HydrophobicContact CG1-CG 4.49Å; I399-L409 WeakPolarHBondContact O-CD1 3.26Å; N405-L409 PolarHBondContact O-N 3.16Å; A406-L409 PolarHBondContact O-N 3.1Å; L409-I411 VanDerWaalsContact C-N 3.29Å; L409-I411 PolarHBondContact O-N 3.45Å; L409-T412 PolarHBondContact O-N 3.47Å; L409-T412 PolarHBondContact O-OG1 2.91Å; L409-L413 HydrophobicContact CD2-CD1 3.61Å; L409-L413 HydrophobicContact CD2-CG 4.35Å; L409-L413 HydrophobicContact CG-CD1 4.35Å; L409-L413 WeakPolarHBondContact O-CG 3.43Å; L409-L413 PolarHBondContact O-N 3.32Å
410L96.4Very high94.7Very high96 Ų9644.1 Ų44.150%0.50324%0.244SC..Hα-helixtrans-59.5-44-178.3-178.2149.2000111.4A406 W407 L413 I414A406-L410 WeakPolarHBondContact O-CB 3.31Å; A406-L410 PolarHBondContact O-N 2.88Å; W407-L410 PolarHBondContact O-N 2.84Å; L410-L413 PolarHBondContact O-N 3.06Å; L410-I414 HydrophobicContact CD2-CD1 3.46Å; L410-I414 VanDerWaalsContact CD2-CD1 3.46Å; L410-I414 HydrophobicContact CD2-CG1 4.35Å; L410-I414 HydrophobicContact CG-CD1 4.38Å; L410-I414 WeakPolarHBondContact O-CG1 3.39Å; L410-I414 PolarHBondContact O-N 3.05Å
411I96.4Very high94.9Very high9 Ų944 Ų445%0.04624%0.243CC..Hα-helixtrans-67.6-41.7-178.5-75.4-173.8000112.4A282 L286 W407 A408 L409 L413 I414 A415A282-I411 HydrophobicContact CB-CG2 4.46Å; A282-I411 WeakPolarHBondContact O-CG2 3.42Å; L286-I411 HydrophobicContact CB-CG2 3.38Å; L286-I411 HydrophobicContact CD1-CG2 4.18Å; L286-I411 HydrophobicContact CD2-CD1 4.03Å; L286-I411 HydrophobicContact CD2-CG1 4.23Å; L286-I411 HydrophobicContact CD2-CG2 3.75Å; L286-I411 HydrophobicContact CG-CG2 3.93Å; W407-I411 HydrophobicContact CD2-CD1 3.59Å; W407-I411 HydrophobicContact CD2-CG1 4.42Å; W407-I411 HydrophobicContact CE3-CD1 4.01Å; W407-I411 HydrophobicContact CG-CD1 4.28Å; W407-I411 HydrophobicContact CH2-CD1 3.62Å; W407-I411 HydrophobicContact CZ2-CD1 3.11Å; W407-I411 HydrophobicContact CZ3-CD1 4.03Å; W407-I411 WeakPolarHBondContact O-CB 3.44Å; W407-I411 WeakPolarHBondContact O-CG1 3.45Å; W407-I411 PolarHBondContact O-N 3.05Å; A408-I411 PolarHBondContact O-N 3.26Å; L409-I411 VanDerWaalsContact C-N 3.29Å; L409-I411 PolarHBondContact O-N 3.45Å; I411-L413 VanDerWaalsContact C-N 3.34Å; I411-I414 PolarHBondContact O-N 3.28Å; I411-A415 WeakPolarHBondContact O-CB 3.39Å; I411-A415 PolarHBondContact O-N 2.98Å
412T96.8Very high95.1Very high1 Ų141.9 Ų41.91%0.00623%0.23CC..Hα-helixtrans-65.5-39.5177.3520000111.2A282 V315 I399 A408 L409 A415 T416A282-T412 HydrophobicContact CB-CG2 3.98Å; V315-T412 HydrophobicContact CG1-CG2 4.26Å; V315-T412 HydrophobicContact CG2-CG2 3.85Å; I399-T412 HydrophobicContact CD1-CG2 4.14Å; I399-T412 VanDerWaalsContact CD1-OG1 3.26Å; I399-T412 WeakPolarHBondContact CD1-OG1 3.11Å; A408-T412 WeakPolarHBondContact O-CB 3.31Å; A408-T412 WeakPolarHBondContact O-CG2 3.38Å; A408-T412 PolarHBondContact O-N 3.29Å; A408-T412 PolarHBondContact O-OG1 2.91Å; L409-T412 PolarHBondContact O-N 3.47Å; L409-T412 PolarHBondContact O-OG1 2.91Å; T412-A415 CarbonylContact O-C 3.52Å; T412-A415 WeakPolarHBondContact O-CB 3.32Å; T412-A415 PolarHBondContact O-N 3.35Å; T412-T416 VanDerWaalsContact O-CG2 3.3Å; T412-T416 WeakPolarHBondContact O-CG2 3Å; T412-T416 PolarHBondContact O-N 3.02Å
413L96.4Very high95.4Very high28 Ų2839.3 Ų39.315%0.14721%0.213CC..Hα-helixtrans-60.2-46.5172.3-69.6-179.3000111.6I396 L409 L410 I411 A415 T416 S417 I493I396-L413 HydrophobicContact CD1-CD2 4.37Å; I396-L413 HydrophobicContact CG2-CD2 3.76Å; L409-L413 HydrophobicContact CD2-CD1 3.61Å; L409-L413 HydrophobicContact CD2-CG 4.35Å; L409-L413 HydrophobicContact CG-CD1 4.35Å; L409-L413 WeakPolarHBondContact O-CG 3.43Å; L409-L413 PolarHBondContact O-N 3.32Å; L410-L413 PolarHBondContact O-N 3.06Å; I411-L413 VanDerWaalsContact C-N 3.34Å; L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 3.27Å; L413-T416 PolarHBondContact O-N 2.89Å; L413-T416 VanDerWaalsContact O-N 3.15Å; L413-T416 PolarHBondContact O-OG1 3.14Å; L413-S417 PolarHBondContact O-N 2.98Å; L413-S417 VanDerWaalsContact O-N 3.13Å; L413-I493 HydrophobicContact CB-CD1 4.02Å; L413-I493 HydrophobicContact CD1-CD1 4.27Å; L413-I493 HydrophobicContact CD2-CD1 3.72Å; L413-I493 HydrophobicContact CG-CD1 4.21Å
414I97.8Very high95.9Very high69 Ų6931.6 Ų31.635%0.35417%0.171SC..Hα-helixtrans-59.1-44.9173.8-67.6172.7000110.7L286 L410 I411 T416 S417 M418L286-I414 HydrophobicContact CD1-CB 4.37Å; L286-I414 HydrophobicContact CD1-CG2 3.83Å; L410-I414 HydrophobicContact CD2-CD1 3.46Å; L410-I414 VanDerWaalsContact CD2-CD1 3.46Å; L410-I414 HydrophobicContact CD2-CG1 4.35Å; L410-I414 HydrophobicContact CG-CD1 4.38Å; L410-I414 WeakPolarHBondContact O-CG1 3.39Å; L410-I414 PolarHBondContact O-N 3.05Å; I411-I414 PolarHBondContact O-N 3.28Å; I414-T416 VanDerWaalsContact C-N 3.29Å; I414-T416 PolarHBondContact O-N 3.22Å; I414-S417 VanDerWaalsContact O-CB 3.31Å; I414-S417 WeakPolarHBondContact O-CB 3.46Å; I414-S417 PolarHBondContact O-N 2.82Å; I414-S417 VanDerWaalsContact O-N 3.08Å; I414-M418 HydrophobicContact CG2-CE 4.14Å; I414-M418 HydrophobicContact CG2-CG 4.32Å; I414-M418 WeakPolarHBondContact O-CG 3.48Å; I414-M418 PolarHBondContact O-N 2.69Å
415A97.1Very high96.5Very high4 Ų431.5 Ų31.53%0.03317%0.166CC..Hα-helixtrans-60.4-38.2177.500000111.7I411 T412 L413 S417 M418 T419I411-A415 WeakPolarHBondContact O-CB 3.39Å; I411-A415 PolarHBondContact O-N 2.98Å; T412-A415 CarbonylContact O-C 3.52Å; T412-A415 WeakPolarHBondContact O-CB 3.32Å; T412-A415 PolarHBondContact O-N 3.35Å; L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 3.27Å; A415-S417 VanDerWaalsContact C-N 3.34Å; A415-S417 PolarHBondContact O-N 3.21Å; A415-M418 PolarHBondContact O-N 2.87Å; A415-T419 WeakPolarHBondContact O-CG2 3.3Å; A415-T419 PolarHBondContact O-N 3.28Å
416T96.7Very high96.7Very high8 Ų828.6 Ų28.65%0.04915%0.151CC..Hα-helixtrans-61.7-39.4173.468.30000112.4I396 T412 L413 I414 T419 A420 I493I396-T416 HydrophobicContact CD1-CG2 3.72Å; I396-T416 HydrophobicContact CG1-CG2 4.32Å; T412-T416 VanDerWaalsContact O-CG2 3.3Å; T412-T416 WeakPolarHBondContact O-CG2 3Å; T412-T416 PolarHBondContact O-N 3.02Å; L413-T416 PolarHBondContact O-N 2.89Å; L413-T416 VanDerWaalsContact O-N 3.15Å; L413-T416 PolarHBondContact O-OG1 3.14Å; I414-T416 VanDerWaalsContact C-N 3.29Å; I414-T416 PolarHBondContact O-N 3.22Å; T416-T419 WeakPolarHBondContact O-CB 3.5Å; T416-T419 PolarHBondContact O-N 2.95Å; T416-T419 PolarHBondContact O-OG1 2.81Å; T416-A420 PolarHBondContact O-N 3.38Å; T416-I493 WeakPolarHBondContact OG1-CG2 3.48Å
417S97.8Very high96.9Very high16 Ų1625.4 Ų25.411%0.11212%0.123CC..Hα-helixtrans-62.1-47.1172.7-164.90000111.4L413 I414 A415 T419 A420 M421 I493 G497L413-S417 PolarHBondContact O-N 2.98Å; L413-S417 VanDerWaalsContact O-N 3.13Å; I414-S417 VanDerWaalsContact O-CB 3.31Å; I414-S417 WeakPolarHBondContact O-CB 3.46Å; I414-S417 PolarHBondContact O-N 2.82Å; I414-S417 VanDerWaalsContact O-N 3.08Å; A415-S417 VanDerWaalsContact C-N 3.34Å; A415-S417 PolarHBondContact O-N 3.21Å; S417-T419 PolarHBondContact O-N 3.44Å; S417-A420 WeakPolarHBondContact O-CB 3.47Å; S417-A420 PolarHBondContact O-N 2.88Å; S417-M421 WeakPolarHBondContact O-CG 3.2Å; S417-M421 PolarHBondContact O-N 2.94Å; S417-I493 VanDerWaalsContact CB-CG2 3.5Å; S417-I493 PolarHBondContact OG-O 3.06Å; S417-G497 WeakPolarHBondContact OG-CA 3.49Å
418M97.5Very high96.9Very high39 Ų3920.4 Ų20.419%0.19210%0.104CC..Hα-helixtrans-60.6-29.3177.1-63.4-61.1174.300111.8A289 L293 I414 A415 A420 M421 Y422A289-M418 HydrophobicContact CB-CB 3.76Å; L293-M418 HydrophobicContact CD1-SD 3.73Å; L293-M418 HydrophobicContact CD2-CB 4.27Å; L293-M418 HydrophobicContact CD2-SD 3.68Å; L293-M418 HydrophobicContact CG-SD 4.22Å; I414-M418 HydrophobicContact CG2-CE 4.14Å; I414-M418 HydrophobicContact CG2-CG 4.32Å; I414-M418 WeakPolarHBondContact O-CG 3.48Å; I414-M418 PolarHBondContact O-N 2.69Å; A415-M418 PolarHBondContact O-N 2.87Å; M418-A420 VanDerWaalsContact C-N 3.35Å; M418-A420 PolarHBondContact O-N 3.4Å; M418-M421 HydrophobicContact CE-CE 4.47Å; M418-M421 HydrophobicContact CE-SD 4.27Å; M418-M421 WeakPolarHBondContact O-CB 3.47Å; M418-M421 PolarHBondContact O-N 3.13Å; M418-M421 VanDerWaalsContact O-N 3.13Å; M418-M421 HydrophobicContact SD-CE 4.17Å; M418-M421 HydrophobicContact SD-CG 4.49Å; M418-M421 HydrophobicContact SD-SD 3.41Å; M418-Y422 WeakPolarHBondContact O-CD1 3.44Å; M418-Y422 PolarHBondContact O-N 3.3Å
419T97.1Very high96.9Very high3 Ų321.7 Ų21.72%0.01811%0.11CC..Hα-helixtrans-62.2-40.7172.974.50000113.5K392 A415 T416 S417 M421 Y422 S423K392-T419 PolarHBondContact NZ-OG1 2.97Å; A415-T419 WeakPolarHBondContact O-CG2 3.3Å; A415-T419 PolarHBondContact O-N 3.28Å; T416-T419 WeakPolarHBondContact O-CB 3.5Å; T416-T419 PolarHBondContact O-N 2.95Å; T416-T419 PolarHBondContact O-OG1 2.81Å; S417-T419 PolarHBondContact O-N 3.44Å; T419-M421 VanDerWaalsContact C-N 3.35Å; T419-Y422 VanDerWaalsContact CA-CZ 3.42Å; T419-Y422 WeakPolarHBondContact CB-OH 3.49Å; T419-Y422 HydrophobicContact CG2-CE1 3.94Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.33Å; T419-S423 VanDerWaalsContact O-CB 3.24Å; T419-S423 WeakPolarHBondContact O-CB 3.25Å; T419-S423 PolarHBondContact O-N 2.96Å; T419-S423 PolarHBondContact O-OG 2.98Å
420A97.3Very high97Very high0 Ų019.8 Ų19.80%010%0.1CC..Hα-helixtrans-65.1-42.1170.600000110.9T381 T416 S417 M418 S423 M424 S494 F498T381-A420 HydrophobicContact CG2-CB 4.09Å; T416-A420 PolarHBondContact O-N 3.38Å; S417-A420 WeakPolarHBondContact O-CB 3.47Å; S417-A420 PolarHBondContact O-N 2.88Å; M418-A420 VanDerWaalsContact C-N 3.35Å; M418-A420 PolarHBondContact O-N 3.4Å; A420-S423 PolarHBondContact O-N 2.96Å; A420-S423 PolarHBondContact O-OG 2.85Å; A420-M424 WeakPolarHBondContact O-CB 3.4Å; A420-M424 PolarHBondContact O-N 3.47Å; A420-S494 WeakPolarHBondContact CB-O 3.3Å; A420-F498 HydrophobicContact CB-CD2 3.75Å; A420-F498 HydrophobicContact CB-CE2 3.94Å; A420-F498 HydrophobicContact CB-CG 4.09Å; A420-F498 HydrophobicContact CB-CZ 4.44Å
421M97.9Very high96.9Very high23 Ų2315.3 Ų15.311%0.1138%0.076CC..Hα-helixtrans-61.5-51.4-177.8-62.8-173.4-17100113.8L293 S417 M418 T419 S423 M424 R425 G497 I500 A501L293-M421 HydrophobicContact CD2-CB 3.44Å; L293-M421 VanDerWaalsContact CD2-CB 3.44Å; L293-M421 HydrophobicContact CD2-CG 4.38Å; L293-M421 HydrophobicContact CD2-SD 4.15Å; S417-M421 WeakPolarHBondContact O-CG 3.2Å; S417-M421 PolarHBondContact O-N 2.94Å; M418-M421 HydrophobicContact CE-CE 4.47Å; M418-M421 HydrophobicContact CE-SD 4.27Å; M418-M421 WeakPolarHBondContact O-CB 3.47Å; M418-M421 PolarHBondContact O-N 3.13Å; M418-M421 VanDerWaalsContact O-N 3.13Å; M418-M421 HydrophobicContact SD-CE 4.17Å; M418-M421 HydrophobicContact SD-CG 4.49Å; M418-M421 HydrophobicContact SD-SD 3.41Å; T419-M421 VanDerWaalsContact C-N 3.35Å; M421-S423 VanDerWaalsContact C-N 3.29Å; M421-S423 PolarHBondContact O-N 3.17Å; M421-M424 PolarHBondContact O-N 3.34Å; M421-R425 PolarHBondContact O-N 3.01Å; M421-G497 WeakPolarHBondContact CG-O 3.39Å; M421-I500 HydrophobicContact CE-CB 4.05Å; M421-I500 HydrophobicContact CE-CD1 3.86Å; M421-I500 HydrophobicContact CE-CG2 3.79Å; M421-I500 HydrophobicContact SD-CG2 4.36Å; M421-A501 HydrophobicContact CB-CB 3.94Å; M421-A501 HydrophobicContact CG-CB 4.08Å
422Y96.8Very high96.9Very high2 Ų220 Ų201%0.00810%0.1CC..Hα-helixtrans-71-26.6178.764.2-117.2000112.2A289 A292 I301 S305 S308 L380 M418 T419 R425 I426A289-Y422 HydrophobicContact CB-CE1 4.29Å; A292-Y422 HydrophobicContact CB-CD1 3.69Å; A292-Y422 HydrophobicContact CB-CE1 4.28Å; A292-Y422 HydrophobicContact CB-CG 3.98Å; I301-Y422 HydrophobicContact CG2-CD2 4.49Å; S305-Y422 VanDerWaalsContact CB-CZ 3.48Å; S305-Y422 WeakPolarHBondContact CB-OH 3.23Å; S308-Y422 PolarHBondContact OG-OH 3.2Å; L380-Y422 HydrophobicContact CD2-CE2 3.89Å; M418-Y422 WeakPolarHBondContact O-CD1 3.44Å; M418-Y422 PolarHBondContact O-N 3.3Å; T419-Y422 VanDerWaalsContact CA-CZ 3.42Å; T419-Y422 WeakPolarHBondContact CB-OH 3.49Å; T419-Y422 HydrophobicContact CG2-CE1 3.94Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.33Å; Y422-R425 WeakPolarHBondContact O-CB 3.36Å; Y422-R425 PolarHBondContact O-N 2.85Å; Y422-I426 PolarHBondContact O-N 3.19Å; Y422-I426 VanDerWaalsContact O-N 3.13Å
423S96.9Very high96.7Very high3 Ų320.4 Ų20.42%0.02110%0.102CC..Hα-helixtrans-67.2-43.1174.380.60000111.1T381 T419 A420 M421 R425 I426 I427T381-S423 WeakPolarHBondContact CG2-OG 3.41Å; T419-S423 VanDerWaalsContact O-CB 3.24Å; T419-S423 WeakPolarHBondContact O-CB 3.25Å; T419-S423 PolarHBondContact O-N 2.96Å; T419-S423 PolarHBondContact O-OG 2.98Å; A420-S423 PolarHBondContact O-N 2.96Å; A420-S423 PolarHBondContact O-OG 2.85Å; M421-S423 VanDerWaalsContact C-N 3.29Å; M421-S423 PolarHBondContact O-N 3.17Å; S423-R425 VanDerWaalsContact C-N 3.33Å; S423-R425 PolarHBondContact O-N 3.33Å; S423-I426 PolarHBondContact O-N 3.48Å; S423-I427 WeakPolarHBondContact O-CG1 3.41Å; S423-I427 PolarHBondContact O-N 2.67Å
424M97.1Very high96.6Very high11 Ų1127.4 Ų27.45%0.05413%0.131CC..Hα-helixtrans-66.7-35.2174.9-171.558.1-156.700111.5A420 M421 I427 Y428 M432 F498 A501 L502A420-M424 WeakPolarHBondContact O-CB 3.4Å; A420-M424 PolarHBondContact O-N 3.47Å; M421-M424 PolarHBondContact O-N 3.34Å; M424-I427 PolarHBondContact O-N 3.49Å; M424-I427 HydrophobicContact SD-CB 4.46Å; M424-Y428 VanDerWaalsContact O-CB 3.22Å; M424-Y428 WeakPolarHBondContact O-CB 3.26Å; M424-Y428 PolarHBondContact O-N 3.41Å; M424-M432 HydrophobicContact CE-CE 4.02Å; M424-M432 HydrophobicContact CE-SD 3.82Å; M424-F498 HydrophobicContact CB-CD1 3.79Å; M424-F498 HydrophobicContact CB-CE1 4.09Å; M424-F498 HydrophobicContact CG-CD1 4.17Å; M424-F498 HydrophobicContact SD-CD1 4.05Å; M424-F498 HydrophobicContact SD-CE1 4.4Å; M424-A501 HydrophobicContact CB-CB 3.8Å; M424-A501 HydrophobicContact CG-CB 4.04Å; M424-L502 HydrophobicContact CE-CB 4.25Å; M424-L502 HydrophobicContact CE-CD1 3.92Å; M424-L502 HydrophobicContact CE-CG 4.23Å; M424-L502 HydrophobicContact CG-CB 4.5Å
425R96.6Very high96.5Very high38 Ų3827.9 Ų27.914%0.14314%0.139CC..Hα-helixtrans-57.3-48172.1178.5-174.6170.91062.3111.8L293 T294 Q295 N296 I356 M421 Y422 S423 Y428 F429L293-R425 VanDerWaalsContact O-CD 3.25Å; L293-R425 WeakPolarHBondContact O-CD 3.44Å; L293-R425 PolarHBondContact O-NE 3.24Å; L293-R425 PolarHBondContact O-NH1 3.25Å; T294-R425 VanDerWaalsContact C-NH2 3.33Å; T294-R425 PolarHBondContact O-NH2 3.28Å; T294-R425 VanDerWaalsContact O-NH2 3.15Å; Q295-R425 PolarHBondContact O-NE 2.75Å; Q295-R425 PolarHBondContact O-NH2 2.9Å; N296-R425 PolarHBondContact OD1-NH2 2.89Å; N296-R425 VanDerWaalsContact OD1-NH2 3.1Å; I356-R425 HydrophobicContact CD1-CG 4.46Å; M421-R425 PolarHBondContact O-N 3.01Å; Y422-R425 WeakPolarHBondContact O-CB 3.36Å; Y422-R425 PolarHBondContact O-N 2.85Å; S423-R425 VanDerWaalsContact C-N 3.33Å; S423-R425 PolarHBondContact O-N 3.33Å; R425-Y428 PolarHBondContact O-N 3.29Å; R425-F429 HydrophobicContact CG-CD2 3.73Å; R425-F429 HydrophobicContact CG-CE2 3.95Å; R425-F429 WeakPolarHBondContact O-CD2 2.96Å; R425-F429 PolarHBondContact O-N 3.07Å
426I96.9Very high96.3Very high13 Ų1332.2 Ų32.27%0.06715%0.154CC..Hα-helixtrans-60.9-52.5176-64.5174.4000109.4I301 I302 L373 Y422 S423 Y428 V430I301-I426 HydrophobicContact CB-CD1 4.29Å; I301-I426 HydrophobicContact CD1-CG1 4.24Å; I301-I426 HydrophobicContact CG2-CD1 3.69Å; I301-I426 HydrophobicContact CG2-CG1 4Å; I302-I426 HydrophobicContact CG1-CD1 4.49Å; L373-I426 HydrophobicContact CD1-CG2 4.29Å; L373-I426 HydrophobicContact CD2-CG2 4.01Å; Y422-I426 PolarHBondContact O-N 3.19Å; Y422-I426 VanDerWaalsContact O-N 3.13Å; S423-I426 PolarHBondContact O-N 3.48Å; I426-Y428 VanDerWaalsContact C-N 3.29Å; I426-Y428 PolarHBondContact O-N 2.84Å; I426-V430 HydrophobicContact CG2-CG2 4.05Å; I426-V430 WeakPolarHBondContact O-CB 3.35Å; I426-V430 VanDerWaalsContact O-CG2 3.27Å; I426-V430 WeakPolarHBondContact O-CG2 3.49Å; I426-V430 PolarHBondContact O-N 2.9Å
427I97.4Very high96.1Very high10 Ų1033.5 Ų33.55%0.05116%0.159CC..Iπ-helixtrans-54.4-48-179.8-66.3161.2000110.4L373 V374 S377 S423 M424 T431 M432L373-I427 HydrophobicContact CD2-CG1 4.43Å; V374-I427 HydrophobicContact CG2-CG1 4.4Å; S377-I427 VanDerWaalsContact OG-CD1 3.32Å; S377-I427 WeakPolarHBondContact OG-CD1 3.26Å; S423-I427 WeakPolarHBondContact O-CG1 3.41Å; S423-I427 PolarHBondContact O-N 2.67Å; M424-I427 PolarHBondContact O-N 3.49Å; M424-I427 HydrophobicContact SD-CB 4.46Å; I427-T431 WeakPolarHBondContact O-CA 3.48Å; I427-T431 VanDerWaalsContact O-CB 3.31Å; I427-T431 WeakPolarHBondContact O-CB 3.44Å; I427-T431 PolarHBondContact O-N 3.43Å; I427-T431 PolarHBondContact O-OG1 3.41Å; I427-M432 HydrophobicContact CG2-CE 3.7Å; I427-M432 HydrophobicContact CG2-CG 4.39Å; I427-M432 HydrophobicContact CG2-SD 4.23Å; I427-M432 PolarHBondContact O-N 3.34Å
428Y96.7Very high95.9Very high15 Ų1536.1 Ų36.16%0.05918%0.176CC..Iπ-helixtrans-63.2-59.8-176.6-173.9-98.1000112.4M424 R425 I426 V430 M432 T433 N505 N506 M509M424-Y428 VanDerWaalsContact O-CB 3.22Å; M424-Y428 WeakPolarHBondContact O-CB 3.26Å; M424-Y428 PolarHBondContact O-N 3.41Å; R425-Y428 PolarHBondContact O-N 3.29Å; I426-Y428 VanDerWaalsContact C-N 3.29Å; I426-Y428 PolarHBondContact O-N 2.84Å; Y428-V430 PolarHBondContact O-N 2.99Å; Y428-M432 HydrophobicContact CD2-CB 4.42Å; Y428-M432 HydrophobicContact CD2-SD 4.12Å; Y428-M432 PolarHBondContact O-N 3.05Å; Y428-M432 VanDerWaalsContact O-N 3.11Å; Y428-T433 HydrophobicContact CD1-CG2 3.82Å; Y428-T433 HydrophobicContact CE1-CG2 3.59Å; Y428-T433 WeakPolarHBondContact O-CG2 3.28Å; Y428-T433 PolarHBondContact O-N 2.89Å; Y428-T433 VanDerWaalsContact O-N 3.1Å; Y428-N505 HydrophobicContact CD1-CB 3.57Å; Y428-N505 HydrophobicContact CD2-CB 3.96Å; Y428-N505 HydrophobicContact CE1-CB 3.64Å; Y428-N505 WeakPolarHBondContact CE1-O 3.45Å; Y428-N505 HydrophobicContact CE2-CB 4.05Å; Y428-N505 HydrophobicContact CG-CB 3.7Å; Y428-N505 PolarHBondContact OH-O 2.99Å; Y428-N506 WeakPolarHBondContact CE2-OD1 3.41Å; Y428-N506 PolarHBondContact OH-OD1 3.4Å; Y428-M509 HydrophobicContact CE1-CE 4.3Å; Y428-M509 WeakPolarHBondContact OH-CE 3.5Å; Y428-M509 WeakPolarHBondContact OH-CG 3.42Å
429F96.6Very high95.6Very high27 Ų2740.6 Ų40.612%0.11821%0.208CC..Iπ-helixtrans-71.8-28.9-173.2-74.9-63000114I356 R425 T433 R436I356-F429 HydrophobicContact CB-CB 4.14Å; I356-F429 HydrophobicContact CD1-CB 4.22Å; I356-F429 HydrophobicContact CD1-CD2 3.98Å; I356-F429 HydrophobicContact CD1-CG 4.31Å; I356-F429 HydrophobicContact CG1-CB 4.31Å; R425-F429 HydrophobicContact CG-CD2 3.73Å; R425-F429 HydrophobicContact CG-CE2 3.95Å; R425-F429 WeakPolarHBondContact O-CD2 2.96Å; R425-F429 PolarHBondContact O-N 3.07Å; F429-T433 HydrophobicContact CD1-CG2 4.41Å; F429-T433 PolarHBondContact O-OG1 3.31Å; F429-T433 VanDerWaalsContact O-OG1 3.1Å; F429-R436 PolarHBondContact O-NH2 3.13Å
430V96.6Very high95.4Very high0 Ų047.5 Ų47.50%024%0.244CC..Iπ-helixtrans-87.9-47.2-178.9179.60000110.1I298 I346 I356 M359 G360 I362 I426 Y428I298-V430 HydrophobicContact CD1-CG2 3.73Å; I298-V430 HydrophobicContact CG1-CG2 4.42Å; I346-V430 HydrophobicContact CD1-CG1 3.9Å; I356-V430 HydrophobicContact CB-CG2 4.29Å; I356-V430 HydrophobicContact CG2-CG2 3.8Å; M359-V430 HydrophobicContact SD-CG1 4.34Å; M359-V430 HydrophobicContact SD-CG2 4.26Å; G360-V430 CarbonylContact C-O 3.43Å; G360-V430 WeakPolarHBondContact CA-O 3.21Å; I362-V430 HydrophobicContact CB-CG1 4.49Å; I362-V430 WeakPolarHBondContact CB-O 3.08Å; I362-V430 HydrophobicContact CD1-CB 4.43Å; I362-V430 HydrophobicContact CD1-CG1 3.31Å; I362-V430 WeakPolarHBondContact CD1-O 3.35Å; I362-V430 HydrophobicContact CG1-CG1 4.41Å; I362-V430 WeakPolarHBondContact CG1-O 3.3Å; I362-V430 PolarHBondContact N-O 3.07Å; I426-V430 HydrophobicContact CG2-CG2 4.05Å; I426-V430 WeakPolarHBondContact O-CB 3.35Å; I426-V430 VanDerWaalsContact O-CG2 3.27Å; I426-V430 WeakPolarHBondContact O-CG2 3.49Å; I426-V430 PolarHBondContact O-N 2.9Å; Y428-V430 PolarHBondContact O-N 2.99Å
431T95.6Very high95.1Very high2 Ų251.7 Ų51.71%0.01227%0.269CS..Iπ-helixtrans-103.2-35.4-165.879.90000114.4S361 T363 L373 I427S361-T431 WeakPolarHBondContact CA-O 3.39Å; T363-T431 WeakPolarHBondContact CG2-O 3.41Å; T363-T431 PolarHBondContact OG1-O 3.35Å; L373-T431 HydrophobicContact CD2-CG2 4.21Å; I427-T431 WeakPolarHBondContact O-CA 3.48Å; I427-T431 VanDerWaalsContact O-CB 3.31Å; I427-T431 WeakPolarHBondContact O-CB 3.44Å; I427-T431 PolarHBondContact O-N 3.43Å; I427-T431 PolarHBondContact O-OG1 3.41Å
432M94.6Very high94.6Very high108 Ų10854.4 Ų54.453%0.53229%0.29SS..Iπ-helixtrans-96.1-39.2-169.6-64.4178.7167.800114.4M424 I427 Y428M424-M432 HydrophobicContact CE-CE 4.02Å; M424-M432 HydrophobicContact CE-SD 3.82Å; I427-M432 HydrophobicContact CG2-CE 3.7Å; I427-M432 HydrophobicContact CG2-CG 4.39Å; I427-M432 HydrophobicContact CG2-SD 4.23Å; I427-M432 PolarHBondContact O-N 3.34Å; Y428-M432 HydrophobicContact CD2-CB 4.42Å; Y428-M432 HydrophobicContact CD2-SD 4.12Å; Y428-M432 PolarHBondContact O-N 3.05Å; Y428-M432 VanDerWaalsContact O-N 3.11Å
433T94.5Very high94.5Very high9 Ų956.2 Ų56.26%0.05530%0.3CS..SBendtrans-65.6162.5-176.156.70000112.5G360 S361 Y428 F429 R436 M509G360-T433 CarbonylContact C-O 3.47Å; S361-T433 WeakPolarHBondContact CA-O 3.38Å; S361-T433 PolarHBondContact N-O 3.44Å; Y428-T433 HydrophobicContact CD1-CG2 3.82Å; Y428-T433 HydrophobicContact CE1-CG2 3.59Å; Y428-T433 WeakPolarHBondContact O-CG2 3.28Å; Y428-T433 PolarHBondContact O-N 2.89Å; Y428-T433 VanDerWaalsContact O-N 3.1Å; F429-T433 HydrophobicContact CD1-CG2 4.41Å; F429-T433 PolarHBondContact O-OG1 3.31Å; F429-T433 VanDerWaalsContact O-OG1 3.1Å; T433-R436 PolarHBondContact OG1-NH2 2.87Å; T433-M509 HydrophobicContact CG2-CE 3.61Å
434K93.4Very high94.2Very high176 Ų17660.8 Ų60.877%0.76532%0.324SS*.PPolyproline II helixtrans-55.8153.2172.5-66.3-180-177.5178.60111.8R436K434-R436 PolarHBondContact O-N 2.98Å
435P94.8Very high94Very high78 Ų7861 Ų6151%0.50633%0.325SS..PPolyproline II helixtrans-62128.7178.327-34.5000110.7F437P435-F437 HydrophobicContact CB-CD1 4.03Å; P435-F437 HydrophobicContact CB-CE1 3.41Å; P435-F437 VanDerWaalsContact CB-CE1 3.41Å; P435-F437 HydrophobicContact CB-CZ 3.71Å
436R93.5Very high93.9Very high96 Ų9665.5 Ų65.536%0.36235%0.352SS..  trans-122.78.6178.7-65.6172.8-68.5171.34.3112.7I356 R357 K358 M359 F429 T433 K434I356-R436 PolarHBondContact O-NH2 2.81Å; R357-R436 WeakPolarHBondContact O-CD 3.37Å; R357-R436 VanDerWaalsContact O-CZ 3.29Å; R357-R436 PolarHBondContact O-NE 3.25Å; R357-R436 PolarHBondContact O-NH1 3.42Å; K358-R436 CarbonylContact O-C 3.29Å; K358-R436 VanDerWaalsContact O-C 3.29Å; M359-R436 PolarHBondContact O-NE 3Å; M359-R436 PolarHBondContact O-NH2 2.68Å; F429-R436 PolarHBondContact O-NH2 3.13Å; T433-R436 PolarHBondContact OG1-NH2 2.87Å; K434-R436 PolarHBondContact O-N 2.98Å
437F93.4Very high93.8Very high34 Ų3467.2 Ų67.215%0.14936%0.361CS..SBendtrans-82.5161.9176.452.7-96.1000110.5L350 K358 G360 T365 P435 V441L350-F437 HydrophobicContact CD2-CB 3.84Å; L350-F437 HydrophobicContact CD2-CD1 4.27Å; L350-F437 HydrophobicContact CD2-CD2 4.28Å; L350-F437 HydrophobicContact CD2-CG 3.89Å; K358-F437 WeakPolarHBondContact O-CA 3.42Å; K358-F437 VanDerWaalsContact O-CB 3.29Å; K358-F437 WeakPolarHBondContact O-CB 3.45Å; K358-F437 PolarHBondContact O-N 3.29Å; K358-F437 VanDerWaalsContact O-N 3.11Å; G360-F437 WeakPolarHBondContact O-CE1 3.43Å; T365-F437 HydrophobicContact CG2-CZ 4.32Å; P435-F437 HydrophobicContact CB-CD1 4.03Å; P435-F437 HydrophobicContact CB-CE1 3.41Å; P435-F437 VanDerWaalsContact CB-CE1 3.41Å; P435-F437 HydrophobicContact CB-CZ 3.71Å; F437-V441 HydrophobicContact CE2-CG2 3.89Å
438P92.4Very high93.7Very high72 Ų7270.3 Ų70.347%0.46838%0.382SS..  trans-53.7151.6176.9-26.635.7000112.9L440P438-L440 PolarHBondContact O-N 3.46Å
439P91.6Very high93.6Very high132 Ų13272.3 Ų72.386%0.85739%0.393SS*.SBendtrans-66.8-21.1-173.427.1-35.4000114V441P439-V441 PolarHBondContact O-N 3.04Å
440L93Very high93.6Very high148 Ų14871 Ų7178%0.77539%0.388SS*.  trans-74.2112.6175.5-17198.3000109.7P438P438-L440 PolarHBondContact O-N 3.46Å
441V90.1Very high93.6Very high89 Ų8973.9 Ų73.954%0.53940%0.402SS..  trans-103.5111.8-179-170.60000110.2F437 P439 I443F437-V441 HydrophobicContact CE2-CG2 3.89Å; P439-V441 PolarHBondContact O-N 3.04Å; V441-I443 HydrophobicContact CG1-CB 4.04Å; V441-I443 HydrophobicContact CG1-CD1 3.66Å; V441-I443 HydrophobicContact CG1-CG1 3.69Å
442S88.9Confident93.7Very high79 Ų7977 Ų7755%0.55242%0.419SS*.  trans-117.540.3173.259.90000111.5
443I93Very high93.8Very high40 Ų4071.9 Ų71.921%0.20539%0.394CS..  trans-81123.2-176.1-62.3172.9000109.1L350 T365 M366 V441L350-I443 HydrophobicContact CD2-CD1 4.5Å; T365-I443 HydrophobicContact CG2-CD1 4.41Å; M366-I443 HydrophobicContact CE-CG2 4.45Å; M366-I443 HydrophobicContact CG-CG2 3.35Å; M366-I443 HydrophobicContact SD-CG2 3.81Å; V441-I443 HydrophobicContact CG1-CB 4.04Å; V441-I443 HydrophobicContact CG1-CD1 3.66Å; V441-I443 HydrophobicContact CG1-CG1 3.69Å
444N91.8Very high94Very high99 Ų9971.5 Ų71.553%0.52939%0.391SS..  trans-137.5115.1172.7-175.48.4000110.6N446N444-N446 PolarHBondContact OD1-N 3.13Å
445E93.3Very high94.2Very high15 Ų1568.4 Ų68.47%0.0738%0.377CS..  trans-102.2-10.8177.7-170.6165.2-139.400112.6M366 F368 T369 N447 L450 M451M366-E445 WeakPolarHBondContact CA-OE2 3.38Å; M366-E445 HydrophobicContact CE-CB 4.47Å; F368-E445 HydrophobicContact CB-CG 4.45Å; F368-E445 WeakPolarHBondContact CB-OE1 3.24Å; F368-E445 HydrophobicContact CD1-CG 4.48Å; F368-E445 PolarHBondContact N-OE2 3.29Å; T369-E445 WeakPolarHBondContact CA-OE1 3.48Å; T369-E445 WeakPolarHBondContact CB-OE1 3.18Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.05Å; T369-E445 PolarHBondContact N-OE1 3.15Å; T369-E445 PolarHBondContact OG1-OE1 3.26Å; E445-N447 PolarHBondContact O-N 3.49Å; E445-L450 HydrophobicContact CG-CD2 4.04Å; E445-M451 VanDerWaalsContact O-CG 3.28Å; E445-M451 WeakPolarHBondContact O-CG 3.38Å
446N93.3Very high94.3Very high134 Ų13466.6 Ų66.672%0.71736%0.361SS*.  trans-80.237.1-168.5-64.8-18.6000113.8N444N444-N446 PolarHBondContact OD1-N 3.13Å
447N95.3Very high94.5Very high48 Ų4862 Ų6226%0.25734%0.343SS..  trans-105.8124.7174.7-166.3-42.1000110.5E445 D449 L450 M451E445-N447 PolarHBondContact O-N 3.49Å; N447-D449 PolarHBondContact O-N 2.79Å; N447-D449 WeakPolarHBondContact OD1-CB 3.05Å; N447-D449 PolarHBondContact OD1-N 3.36Å; N447-L450 HydrophobicContact CB-CB 4.38Å; N447-L450 PolarHBondContact O-N 3.02Å; N447-M451 PolarHBondContact O-N 2.94Å
448P95.9Very high94.7Very high75 Ų7560.9 Ų60.949%0.48734%0.34SS..Hα-helixtrans-59.2-30177.625-35.6000113.1L450 N452P448-L450 PolarHBondContact O-N 3.41Å; P448-N452 WeakPolarHBondContact O-CB 3.24Å; P448-N452 PolarHBondContact O-N 3.18Å; P448-N452 PolarHBondContact O-ND2 3.35Å
449D95Very high94.9Very high57 Ų5762.8 Ų62.831%0.30534%0.342SS..Hα-helixtrans-72.6-15.8177.9-69.6-27.1000113.5Q102 W106 N447 P453Q102-D449 HydrophobicContact CG-CB 4Å; Q102-D449 WeakPolarHBondContact CG-OD1 3.28Å; Q102-D449 PolarHBondContact NE2-OD1 2.87Å; W106-D449 HydrophobicContact CB-CB 4.06Å; N447-D449 PolarHBondContact O-N 2.79Å; N447-D449 WeakPolarHBondContact OD1-CB 3.05Å; N447-D449 PolarHBondContact OD1-N 3.36Å; D449-P453 VanDerWaalsContact O-CD 3.25Å; D449-P453 WeakPolarHBondContact O-CD 3.46Å; D449-P453 WeakPolarHBondContact O-CG 3.43Å
450L96.3Very high95.1Very high0 Ų056.9 Ų56.90%030%0.304CS..Hα-helixtrans-94.2-48.8169.4176.8156.9000111.6W106 T369 E445 N447 P448 P453 I454W106-L450 HydrophobicContact CD2-CB 4.11Å; W106-L450 HydrophobicContact CD2-CD1 3.97Å; W106-L450 HydrophobicContact CE3-CB 4.44Å; W106-L450 HydrophobicContact CE3-CD1 3.91Å; W106-L450 HydrophobicContact CG-CB 4.34Å; W106-L450 HydrophobicContact CH2-CD1 3.39Å; W106-L450 HydrophobicContact CZ2-CD1 3.43Å; W106-L450 VanDerWaalsContact CZ2-CD1 3.43Å; W106-L450 HydrophobicContact CZ3-CD1 3.64Å; T369-L450 HydrophobicContact CG2-CD2 4.44Å; E445-L450 HydrophobicContact CG-CD2 4.04Å; N447-L450 HydrophobicContact CB-CB 4.38Å; N447-L450 PolarHBondContact O-N 3.02Å; P448-L450 PolarHBondContact O-N 3.41Å; L450-P453 VanDerWaalsContact O-CD 3.28Å; L450-P453 WeakPolarHBondContact O-CD 3.37Å; L450-P453 VanDerWaalsContact O-CG 3.29Å; L450-P453 WeakPolarHBondContact O-CG 3.38Å; L450-I454 HydrophobicContact CD2-CD1 3.92Å; L450-I454 HydrophobicContact CG-CD1 4.21Å; L450-I454 WeakPolarHBondContact O-CG1 3.46Å
451M96.7Very high95.3Very high60 Ų6049.8 Ų49.830%0.29627%0.267SS..Hα-helixtrans-70.1-42.8-172.1-64.1-177.798.900112.4F368 E445 N447 K455F368-M451 HydrophobicContact CB-CE 4.19Å; F368-M451 HydrophobicContact CD1-CE 4.27Å; F368-M451 HydrophobicContact CD1-CG 4.31Å; F368-M451 HydrophobicContact CD2-CE 4.34Å; F368-M451 HydrophobicContact CE1-CB 4.14Å; F368-M451 HydrophobicContact CE1-CG 4.29Å; F368-M451 HydrophobicContact CG-CE 4.01Å; F368-M451 HydrophobicContact CZ-CB 4.38Å; F368-M451 WeakPolarHBondContact CZ-O 3.33Å; E445-M451 VanDerWaalsContact O-CG 3.28Å; E445-M451 WeakPolarHBondContact O-CG 3.38Å; N447-M451 PolarHBondContact O-N 2.94Å; M451-K455 VanDerWaalsContact O-CB 3.24Å; M451-K455 WeakPolarHBondContact O-CB 3.33Å; M451-K455 PolarHBondContact O-N 3.45Å
452N97.2Very high95.6Very high69 Ų6948 Ų4837%0.36925%0.254SS..Hα-helixtrans-62.9-46.9-177.3-68.1-34.1000114.1P448 K455 R456P448-N452 WeakPolarHBondContact O-CB 3.24Å; P448-N452 PolarHBondContact O-N 3.18Å; P448-N452 PolarHBondContact O-ND2 3.35Å; N452-K455 PolarHBondContact O-N 3.31Å; N452-R456 WeakPolarHBondContact O-CG 3.27Å; N452-R456 PolarHBondContact O-N 3.37Å
453P97.3Very high96Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-64.3-41.4178.723.8-33.7000112.7S99 Q102 F103 M341 D449 L450 R456 L457S99-P453 WeakPolarHBondContact O-CB 3.42Å; Q102-P453 HydrophobicContact CB-CG 4.46Å; F103-P453 HydrophobicContact CB-CG 4.3Å; M341-P453 HydrophobicContact CE-CB 4.34Å; M341-P453 HydrophobicContact SD-CB 4.26Å; D449-P453 VanDerWaalsContact O-CD 3.25Å; D449-P453 WeakPolarHBondContact O-CD 3.46Å; D449-P453 WeakPolarHBondContact O-CG 3.43Å; L450-P453 VanDerWaalsContact O-CD 3.28Å; L450-P453 WeakPolarHBondContact O-CD 3.37Å; L450-P453 VanDerWaalsContact O-CG 3.29Å; L450-P453 WeakPolarHBondContact O-CG 3.38Å; P453-R456 PolarHBondContact O-N 2.88Å; P453-L457 PolarHBondContact O-N 2.96Å
454I97.3Very high96.1Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-64.3-43.2176.8-62.3172.1000110.1M338 M341 F368 T369 C372 L450 R456 L457 A458M338-I454 HydrophobicContact CG-CG2 4.43Å; M341-I454 HydrophobicContact CB-CG1 4.11Å; M341-I454 HydrophobicContact CE-CG1 4.14Å; F368-I454 HydrophobicContact CE1-CB 3.76Å; F368-I454 HydrophobicContact CE1-CD1 4.27Å; F368-I454 HydrophobicContact CE1-CG2 3.72Å; F368-I454 HydrophobicContact CZ-CB 4.02Å; F368-I454 HydrophobicContact CZ-CG2 3.91Å; T369-I454 HydrophobicContact CG2-CD1 4.05Å; C372-I454 HydrophobicContact CB-CG2 3.54Å; C372-I454 VanDerWaalsContact SG-CG2 3.5Å; L450-I454 HydrophobicContact CD2-CD1 3.92Å; L450-I454 HydrophobicContact CG-CD1 4.21Å; L450-I454 WeakPolarHBondContact O-CG1 3.46Å; I454-R456 VanDerWaalsContact C-N 3.35Å; I454-R456 PolarHBondContact O-N 3.41Å; I454-L457 PolarHBondContact O-N 3.36Å; I454-A458 WeakPolarHBondContact O-CB 3.4Å; I454-A458 PolarHBondContact O-N 3.49Å
455K97.6Very high96.2Very high111 Ų11143.6 Ų43.648%0.48322%0.222SC..Hα-helixtrans-59.1-43.9175.5-179.8174.2177.9176.20111.9F368 M451 N452 A458 F459F368-K455 HydrophobicContact CE2-CB 4.44Å; F368-K455 HydrophobicContact CZ-CB 4.1Å; M451-K455 VanDerWaalsContact O-CB 3.24Å; M451-K455 WeakPolarHBondContact O-CB 3.33Å; M451-K455 PolarHBondContact O-N 3.45Å; N452-K455 PolarHBondContact O-N 3.31Å; K455-A458 PolarHBondContact O-N 2.82Å; K455-F459 HydrophobicContact CD-CE2 4.23Å; K455-F459 HydrophobicContact CG-CD2 4.03Å; K455-F459 HydrophobicContact CG-CE2 3.62Å; K455-F459 WeakPolarHBondContact O-CD2 3.45Å; K455-F459 PolarHBondContact O-N 3.47Å; K455-F459 VanDerWaalsContact O-N 3.08Å
456R97.6Very high96.3Very high40 Ų4047 Ų4715%0.15124%0.237CC..Hα-helixtrans-61.3-44.8176.1-72.6-169-56.1-91.88.4112F95 W98 Q102 N452 P453 I454 F459 G460F95-R456 HydrophobicContact CZ-CB 4.02Å; W98-R456 VanDerWaalsContact CZ3-CD 3.4Å; Q102-R456 VanDerWaalsContact OE1-CZ 3.25Å; N452-R456 WeakPolarHBondContact O-CG 3.27Å; N452-R456 PolarHBondContact O-N 3.37Å; P453-R456 PolarHBondContact O-N 2.88Å; I454-R456 VanDerWaalsContact C-N 3.35Å; I454-R456 PolarHBondContact O-N 3.41Å; R456-F459 PolarHBondContact O-N 2.98Å; R456-G460 PolarHBondContact O-N 3.44Å
457L97.1Very high96.5Very high0 Ų044.8 Ų44.80%022%0.224CC..Hα-helixtrans-69.9-30.8176.5-67.8-163.2000113.2F95 V96 F334 A337 M338 M341 P453 I454 G460 S461F95-L457 HydrophobicContact CD1-CD2 3.96Å; F95-L457 HydrophobicContact CE1-CD2 3.76Å; V96-L457 HydrophobicContact CG2-CD2 4.32Å; F334-L457 HydrophobicContact CD1-CD2 4.36Å; A337-L457 HydrophobicContact CB-CD1 3.51Å; M338-L457 HydrophobicContact CB-CB 4.05Å; M338-L457 HydrophobicContact CB-CD1 4.14Å; M338-L457 HydrophobicContact CG-CB 4.4Å; M341-L457 HydrophobicContact CE-CB 4.44Å; M341-L457 HydrophobicContact CE-CD1 3.11Å; M341-L457 HydrophobicContact CE-CG 3.75Å; P453-L457 PolarHBondContact O-N 2.96Å; I454-L457 PolarHBondContact O-N 3.36Å; L457-G460 CarbonylContact O-C 3.53Å; L457-G460 PolarHBondContact O-N 3.07Å; L457-S461 WeakPolarHBondContact O-CB 3.46Å; L457-S461 PolarHBondContact O-N 2.66Å; L457-S461 PolarHBondContact O-OG 3.3Å; L457-S461 VanDerWaalsContact O-OG 3.05Å
458A97.4Very high96.4Very high11 Ų1143.1 Ų43.19%0.09122%0.215CC..Hα-helixtrans-62.2-47.5173.100000110.4M338 I454 K455 G460 S461 I462M338-A458 HydrophobicContact SD-CB 3.92Å; I454-A458 WeakPolarHBondContact O-CB 3.4Å; I454-A458 PolarHBondContact O-N 3.49Å; K455-A458 PolarHBondContact O-N 2.82Å; A458-G460 VanDerWaalsContact C-N 3.3Å; A458-G460 PolarHBondContact O-N 3.43Å; A458-S461 WeakPolarHBondContact CA-OG 3.29Å; A458-S461 PolarHBondContact O-N 3.3Å; A458-S461 PolarHBondContact O-OG 2.92Å; A458-I462 WeakPolarHBondContact O-CG1 3.43Å; A458-I462 PolarHBondContact O-N 3.19Å; A458-I462 VanDerWaalsContact O-N 3.12Å
459F97.1Very high96.3Very high112 Ų11240.6 Ų40.649%0.49120%0.199SC..Hα-helixtrans-59.5-41.1172.2-73.8-62.3000112.5K455 R456 I462 F463K455-F459 HydrophobicContact CD-CE2 4.23Å; K455-F459 HydrophobicContact CG-CD2 4.03Å; K455-F459 HydrophobicContact CG-CE2 3.62Å; K455-F459 WeakPolarHBondContact O-CD2 3.45Å; K455-F459 PolarHBondContact O-N 3.47Å; K455-F459 VanDerWaalsContact O-N 3.08Å; R456-F459 PolarHBondContact O-N 2.98Å; F459-I462 PolarHBondContact O-N 3.32Å; F459-F463 HydrophobicContact CD1-CD2 4.3Å; F459-F463 HydrophobicContact CD1-CE2 4.12Å; F459-F463 PolarHBondContact O-N 3.27Å
460G95.9Very high96.2Very high7 Ų743.6 Ų43.67%0.07221%0.211CC..Hα-helixtrans-59-46.7173.800000113T387 R456 L457 A458 I462 A464T387-G460 VanDerWaalsContact CG2-O 3.27Å; T387-G460 WeakPolarHBondContact CG2-O 3.41Å; R456-G460 PolarHBondContact O-N 3.44Å; L457-G460 CarbonylContact O-C 3.53Å; L457-G460 PolarHBondContact O-N 3.07Å; A458-G460 VanDerWaalsContact C-N 3.3Å; A458-G460 PolarHBondContact O-N 3.43Å; G460-I462 PolarHBondContact O-N 3.23Å; G460-A464 WeakPolarHBondContact O-CB 3.38Å; G460-A464 PolarHBondContact O-N 2.9Å
461S96.1Very high96.1Very high0 Ų047.6 Ų47.60%023%0.232CC..Hα-helixtrans-75.1-5.6-17960.70000115M338 T387 L457 A458M338-S461 WeakPolarHBondContact CE-OG 3.31Å; T387-S461 VanDerWaalsContact CG2-C 3.42Å; T387-S461 VanDerWaalsContact CG2-O 3.28Å; T387-S461 WeakPolarHBondContact CG2-O 3.49Å; T387-S461 PolarHBondContact N-O 3.17Å; T387-S461 PolarHBondContact OG1-O 3.39Å; T387-S461 VanDerWaalsContact OG1-O 3.07Å; L457-S461 WeakPolarHBondContact O-CB 3.46Å; L457-S461 PolarHBondContact O-N 2.66Å; L457-S461 PolarHBondContact O-OG 3.3Å; L457-S461 VanDerWaalsContact O-OG 3.05Å; A458-S461 WeakPolarHBondContact CA-OG 3.29Å; A458-S461 PolarHBondContact O-N 3.3Å; A458-S461 PolarHBondContact O-OG 2.92Å
462I97.1Very high95.9Very high52 Ų5247.3 Ų47.327%0.26723%0.231SC..Hα-helixtrans-98.6-53.6169.1-62.3162.8000110I375 L386 A458 F459 G460I375-I462 HydrophobicContact CG2-CG1 4.27Å; L386-I462 HydrophobicContact CD2-CB 4.37Å; L386-I462 HydrophobicContact CD2-CG1 3.88Å; L386-I462 HydrophobicContact CD2-CG2 4.41Å; A458-I462 WeakPolarHBondContact O-CG1 3.43Å; A458-I462 PolarHBondContact O-N 3.19Å; A458-I462 VanDerWaalsContact O-N 3.12Å; F459-I462 PolarHBondContact O-N 3.32Å; G460-I462 PolarHBondContact O-N 3.23Å
463F96.9Very high95.5Very high111 Ų11145.5 Ų45.549%0.48722%0.223SC..Hα-helixtrans-99-28.4-167.2-67.1-73.6000115.4F459 G465 F466 I467F459-F463 HydrophobicContact CD1-CD2 4.3Å; F459-F463 HydrophobicContact CD1-CE2 4.12Å; F459-F463 PolarHBondContact O-N 3.27Å; F463-G465 PolarHBondContact O-N 3.02Å; F463-F466 WeakPolarHBondContact O-CB 3.22Å; F463-F466 PolarHBondContact O-N 3.21Å; F463-F466 VanDerWaalsContact O-N 3.16Å; F463-I467 HydrophobicContact CB-CD1 4.11Å; F463-I467 WeakPolarHBondContact O-CG1 3.24Å; F463-I467 PolarHBondContact O-N 3.5Å
464A95.3Very high95Very high14 Ų1451.7 Ų51.712%0.11626%0.263CS..Hα-helixtrans-63.3-41.9-167.500000112.8F334 T387 G460 F466 I467 I468F334-A464 HydrophobicContact CD2-CB 4.05Å; F334-A464 HydrophobicContact CE1-CB 4.26Å; F334-A464 HydrophobicContact CE2-CB 3.57Å; F334-A464 HydrophobicContact CZ-CB 3.69Å; T387-A464 HydrophobicContact CG2-CB 4.48Å; G460-A464 WeakPolarHBondContact O-CB 3.38Å; G460-A464 PolarHBondContact O-N 2.9Å; A464-F466 PolarHBondContact O-N 2.61Å; A464-I467 PolarHBondContact O-N 3.36Å; A464-I468 HydrophobicContact CB-CD1 4.44Å; A464-I468 WeakPolarHBondContact O-CB 3.04Å; A464-I468 WeakPolarHBondContact O-CD1 3.43Å; A464-I468 WeakPolarHBondContact O-CG1 3.44Å; A464-I468 PolarHBondContact O-N 3.49Å
465G94.4Very high94.4Very high0 Ų054.6 Ų54.60%028%0.28CS..Hα-helixtrans-62.5-38.5176.400000113.3F463 S469F463-G465 PolarHBondContact O-N 3.02Å; G465-S469 VanDerWaalsContact O-CB 3.24Å; G465-S469 WeakPolarHBondContact O-CB 3.25Å; G465-S469 PolarHBondContact O-N 3.16Å; G465-S469 PolarHBondContact O-OG 2.63Å
466F95.9Very high93.8Very high87 Ų8752.5 Ų52.538%0.38228%0.275SS..Hα-helixtrans-63-50.7172.4173.5-106.5000110.6Y390 F463 A464 I468 S469 H470Y390-F466 HydrophobicContact CE1-CB 4.4Å; Y390-F466 AromaticContact CE1-CD2 4Å; Y390-F466 HydrophobicContact CE1-CD2 4Å; Y390-F466 HydrophobicContact CE2-CB 3.74Å; Y390-F466 AromaticContact CZ-CD2 3.7Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.32Å; F463-F466 WeakPolarHBondContact O-CB 3.22Å; F463-F466 PolarHBondContact O-N 3.21Å; F463-F466 VanDerWaalsContact O-N 3.16Å; A464-F466 PolarHBondContact O-N 2.61Å; F466-I468 PolarHBondContact O-N 3.12Å; F466-S469 PolarHBondContact O-N 2.68Å; F466-S469 PolarHBondContact O-OG 3.49Å; F466-H470 AromaticContact CD2-CE1 3.2Å; F466-H470 WeakPolarHBondContact CD2-CE1 3.18Å; F466-H470 AromaticContact CD2-ND1 3.42Å; F466-H470 WeakPolarHBondContact CD2-ND1 3.29Å; F466-H470 AromaticContact CD2-NE2 3.95Å; F466-H470 AromaticContact CE2-CD2 3.96Å; F466-H470 AromaticContact CE2-CE1 3.14Å; F466-H470 WeakPolarHBondContact CE2-CE1 3.25Å; F466-H470 AromaticContact CE2-ND1 3.54Å; F466-H470 AromaticContact CE2-NE2 3.4Å; F466-H470 WeakPolarHBondContact CE2-NE2 3.42Å; F466-H470 PolarHBondContact O-N 3.01Å; F466-H470 VanDerWaalsContact O-N 3.15Å; F466-H470 PolarHBondContact O-ND1 3.28Å
467I96.1Very high93.4Very high87 Ų8758.4 Ų58.445%0.44631%0.307SS..Hα-helixtrans-60.6-45.3-179.7-65.1167000111.1F463 A464 N471F463-I467 HydrophobicContact CB-CD1 4.11Å; F463-I467 WeakPolarHBondContact O-CG1 3.24Å; F463-I467 PolarHBondContact O-N 3.5Å; A464-I467 PolarHBondContact O-N 3.36Å; I467-N471 WeakPolarHBondContact CG2-ND2 3.26Å; I467-N471 WeakPolarHBondContact O-CB 3.48Å; I467-N471 PolarHBondContact O-N 2.96Å; I467-N471 PolarHBondContact O-ND2 3.4Å
468I94.9Very high93Very high13 Ų1362 Ų627%0.06733%0.331CS..Hα-helixtrans-67.4-46.3-178.5-67.4166.7000110.6L88 L327 C330 A464 F466 H470 N471 M472L88-I468 HydrophobicContact CD1-CD1 4.32Å; L88-I468 HydrophobicContact CD1-CG1 4.15Å; L88-I468 HydrophobicContact CD1-CG2 4.43Å; L88-I468 HydrophobicContact CD2-CG2 3.84Å; L327-I468 HydrophobicContact CD1-CG2 4.2Å; L327-I468 HydrophobicContact CG-CG2 4.38Å; C330-I468 HydrophobicContact CB-CD1 4.34Å; A464-I468 HydrophobicContact CB-CD1 4.44Å; A464-I468 WeakPolarHBondContact O-CB 3.04Å; A464-I468 WeakPolarHBondContact O-CD1 3.43Å; A464-I468 WeakPolarHBondContact O-CG1 3.44Å; A464-I468 PolarHBondContact O-N 3.49Å; F466-I468 PolarHBondContact O-N 3.12Å; I468-H470 VanDerWaalsContact C-N 3.31Å; I468-H470 PolarHBondContact O-N 3.15Å; I468-N471 PolarHBondContact O-N 3.38Å; I468-M472 WeakPolarHBondContact O-CB 3.41Å; I468-M472 PolarHBondContact O-N 3.1Å
469S93.6Very high92.8Very high22 Ų2264.9 Ų64.915%0.15435%0.347CS..Hα-helixtrans-65.6-30.8-177.355.70000113.7Y390 G465 F466 M472Y390-S469 VanDerWaalsContact CD1-OG 3.28Å; Y390-S469 WeakPolarHBondContact CD1-OG 3.44Å; G465-S469 VanDerWaalsContact O-CB 3.24Å; G465-S469 WeakPolarHBondContact O-CB 3.25Å; G465-S469 PolarHBondContact O-N 3.16Å; G465-S469 PolarHBondContact O-OG 2.63Å; F466-S469 PolarHBondContact O-N 2.68Å; F466-S469 PolarHBondContact O-OG 3.49Å; S469-M472 WeakPolarHBondContact O-CG 3.37Å
470H92.9Very high92.6Very high120 Ų12065.7 Ų65.756%0.55636%0.356SS*.Hα-helixtrans-85.7-26.9179.8-70.567.6000113.2F466 I468F466-H470 AromaticContact CD2-CE1 3.2Å; F466-H470 WeakPolarHBondContact CD2-CE1 3.18Å; F466-H470 AromaticContact CD2-ND1 3.42Å; F466-H470 WeakPolarHBondContact CD2-ND1 3.29Å; F466-H470 AromaticContact CD2-NE2 3.95Å; F466-H470 AromaticContact CE2-CD2 3.96Å; F466-H470 AromaticContact CE2-CE1 3.14Å; F466-H470 WeakPolarHBondContact CE2-CE1 3.25Å; F466-H470 AromaticContact CE2-ND1 3.54Å; F466-H470 AromaticContact CE2-NE2 3.4Å; F466-H470 WeakPolarHBondContact CE2-NE2 3.42Å; F466-H470 PolarHBondContact O-N 3.01Å; F466-H470 VanDerWaalsContact O-N 3.15Å; F466-H470 PolarHBondContact O-ND1 3.28Å; I468-H470 VanDerWaalsContact C-N 3.31Å; I468-H470 PolarHBondContact O-N 3.15Å
471N93.9Very high92.5Very high83 Ų8371.4 Ų71.444%0.44439%0.39SS..Hα-helixtrans-94.4-15.4-179.6-68.2-53.2000113.5F55 I467 I468F55-N471 HydrophobicContact CD1-CB 4.33Å; F55-N471 WeakPolarHBondContact CD1-O 3.29Å; F55-N471 HydrophobicContact CD2-CB 4Å; F55-N471 HydrophobicContact CE1-CB 4.35Å; F55-N471 HydrophobicContact CE2-CB 4Å; F55-N471 HydrophobicContact CG-CB 4.17Å; F55-N471 HydrophobicContact CZ-CB 4.18Å; I467-N471 WeakPolarHBondContact CG2-ND2 3.26Å; I467-N471 WeakPolarHBondContact O-CB 3.48Å; I467-N471 PolarHBondContact O-N 2.96Å; I467-N471 PolarHBondContact O-ND2 3.4Å; I468-N471 PolarHBondContact O-N 3.38Å
472M91Very high92.4Very high55 Ų5573.1 Ų73.127%0.27140%0.398SS..SBendtrans-66.5138.8176.367178.4-177.800110.6F84 L327 I468 S469F84-M472 HydrophobicContact CE2-CB 4.26Å; F84-M472 HydrophobicContact CZ-CB 4.23Å; L327-M472 HydrophobicContact CD1-CE 3.86Å; L327-M472 HydrophobicContact CD1-SD 3.4Å; L327-M472 WeakPolarHBondContact CD1-SD 3.33Å; I468-M472 WeakPolarHBondContact O-CB 3.41Å; I468-M472 PolarHBondContact O-N 3.1Å; S469-M472 WeakPolarHBondContact O-CG 3.37Å
473P89.9Confident92.4Very high31 Ų3174.6 Ų74.620%0.20141%0.411CS..  trans-62.2141.4171.326.4-33.1000109.6T475P473-T475 PolarHBondContact O-N 2.83Å
474P86.4Confident92.4Very high129 Ų12978.3 Ų78.384%0.83842%0.422SS*.  trans-67.8106.7176.927.3-33000109.6
475T85.9Confident92.4Very high61 Ų6182.2 Ų82.237%0.37444%0.441SS..  trans-95.3-44.4-177.852.30000113Y323 P473Y323-T475 WeakPolarHBondContact CB-OG1 3.49Å; Y323-T475 HydrophobicContact CD1-CG2 3.79Å; Y323-T475 HydrophobicContact CD2-CG2 4.18Å; Y323-T475 VanDerWaalsContact CD2-OG1 3.28Å; Y323-T475 WeakPolarHBondContact CD2-OG1 3.34Å; Y323-T475 HydrophobicContact CE1-CG2 3.68Å; Y323-T475 HydrophobicContact CE2-CG2 4.08Å; Y323-T475 HydrophobicContact CG-CG2 4.04Å; P473-T475 PolarHBondContact O-N 2.83Å
476N84.3Confident92.4Very high68 Ų6884.9 Ų84.936%0.36445%0.454SS..SBendtrans-113.4142.1176.6-72.35.6000109.8P478N476-P478 VanDerWaalsContact O-CD 3.23Å; N476-P478 WeakPolarHBondContact O-CD 3.39Å
477I88.6Confident92.4Very high163 Ų16384 Ų8484%0.83645%0.451SS*.  trans-75.9114.2175.1-57.5169.8000108
478P89.7Confident92.3Very high76 Ų7682.1 Ų82.149%0.49444%0.443SS..  trans-73.3141.2175.630.9-33.7000110.6N476 L480N476-P478 VanDerWaalsContact O-CD 3.23Å; N476-P478 WeakPolarHBondContact O-CD 3.39Å; P478-L480 PolarHBondContact O-N 2.99Å
479V91.5Very high92.4Very high71 Ų7182.3 Ų82.343%0.4345%0.445SS..  trans-85.4108.5173.7-179.80000108.5T401T401-V479 HydrophobicContact CG2-CG1 4.24Å
480L92.9Very high92.4Very high129 Ų12982.1 Ų82.168%0.67544%0.444SS*.  trans-96.9-16.8-177.3-64.7164.9000113.3P478 M482P478-L480 PolarHBondContact O-N 2.99Å; L480-M482 PolarHBondContact O-N 2.75Å
481T94.4Very high92.6Very high128 Ų12879.8 Ų79.879%0.78544%0.436SS*.  trans-93.195.6-174.854.60000110.8
482M95.3Very high92.7Very high35 Ų3578.6 Ų78.617%0.17243%0.429CS..SBendtrans-152162.9172.360.1173159.600111.6E397 T401 L480 L486 K487E397-M482 HydrophobicContact CB-CE 3.83Å; E397-M482 VanDerWaalsContact CD-CE 3.44Å; E397-M482 HydrophobicContact CG-CE 3.32Å; E397-M482 HydrophobicContact CG-SD 4.35Å; E397-M482 WeakPolarHBondContact OE1-CE 3.35Å; T401-M482 HydrophobicContact CG2-CB 4.35Å; T401-M482 HydrophobicContact CG2-SD 3.76Å; L480-M482 PolarHBondContact O-N 2.75Å; M482-L486 HydrophobicContact CB-CB 4.35Å; M482-L486 HydrophobicContact CB-CD1 4.49Å; M482-L486 HydrophobicContact CG-CB 4.24Å; M482-L486 HydrophobicContact SD-CB 3.58Å; M482-L486 VanDerWaalsContact SD-CB 3.58Å; M482-K487 VanDerWaalsContact CE-CA 3.49Å; M482-K487 HydrophobicContact CE-CB 3.7Å; M482-K487 HydrophobicContact CE-CD 3.26Å; M482-K487 HydrophobicContact CE-CG 4.04Å; M482-K487 HydrophobicContact CG-CB 4.36Å; M482-K487 HydrophobicContact SD-CB 4.46Å
483P96.6Very high93Very high83 Ų8377.5 Ų77.554%0.53942%0.423SS..  trans-56.7148.9175.4-25.935.3000113L485 L486 K487P483-L485 PolarHBondContact O-N 3.41Å; P483-L485 VanDerWaalsContact O-N 3.13Å; P483-L486 PolarHBondContact O-N 3.47Å; P483-K487 PolarHBondContact O-N 2.97Å; P483-K487 VanDerWaalsContact O-N 3.12Å
484W95.8Very high93.3Very high189 Ų18976.6 Ų76.672%0.71642%0.418SS*.Hα-helixtrans-54.8-36.3-178.982.3-89.4000112.9L486 K487 T488 I492W484-L486 VanDerWaalsContact C-N 3.33Å; W484-L486 PolarHBondContact O-N 3.05Å; W484-K487 PolarHBondContact O-N 2.93Å; W484-T488 PolarHBondContact O-N 3.37Å; W484-T488 PolarHBondContact O-OG1 3.03Å; W484-I492 HydrophobicContact CZ3-CD1 4.08Å
485L96.2Very high93.7Very high97 Ų9773.8 Ų73.851%0.50840%0.398SS..Hα-helixtrans-61.4-43.3178.1-168.380000110.6P483 T489P483-L485 PolarHBondContact O-N 3.41Å; P483-L485 VanDerWaalsContact O-N 3.13Å; L485-T489 WeakPolarHBondContact O-CG2 3.47Å; L485-T489 PolarHBondContact O-N 2.61Å; L485-T489 VanDerWaalsContact O-N 3.12Å
486L94.3Very high94.3Very high56 Ų5675.1 Ų75.129%0.29340%0.403SS..Hα-helixtrans-67.7-43.7178.3-66.3-172.4000111.2N400 M482 P483 W484 T488 T489N400-L486 HydrophobicContact CB-CD2 4.38Å; M482-L486 HydrophobicContact CB-CB 4.35Å; M482-L486 HydrophobicContact CB-CD1 4.49Å; M482-L486 HydrophobicContact CG-CB 4.24Å; M482-L486 HydrophobicContact SD-CB 3.58Å; M482-L486 VanDerWaalsContact SD-CB 3.58Å; P483-L486 PolarHBondContact O-N 3.47Å; W484-L486 VanDerWaalsContact C-N 3.33Å; W484-L486 PolarHBondContact O-N 3.05Å; L486-T488 VanDerWaalsContact C-N 3.32Å; L486-T488 PolarHBondContact O-N 2.89Å; L486-T489 HydrophobicContact CD2-CG2 4.47Å; L486-T489 PolarHBondContact O-N 3.43Å; L486-T489 PolarHBondContact O-OG1 3.01Å
487K95.3Very high94.9Very high69 Ų6971.9 Ų71.930%0.339%0.385SS..Hα-helixtrans-63-37.9-179.7-174.259-172.2162.20112.9D393 E397 M482 P483 W484D393-K487 IonicContact OD2-NZ 2.66Å; D393-K487 PolarHBondContact OD2-NZ 3.49Å; E397-K487 WeakPolarHBondContact OE1-CD 3.25Å; E397-K487 IonicContact OE1-NZ 3.32Å; E397-K487 PolarHBondContact OE1-NZ 3.33Å; E397-K487 IonicContact OE2-NZ 2.83Å; E397-K487 PolarHBondContact OE2-NZ 2.92Å; M482-K487 VanDerWaalsContact CE-CA 3.49Å; M482-K487 HydrophobicContact CE-CB 3.7Å; M482-K487 HydrophobicContact CE-CD 3.26Å; M482-K487 HydrophobicContact CE-CG 4.04Å; M482-K487 HydrophobicContact CG-CB 4.36Å; M482-K487 HydrophobicContact SD-CB 4.46Å; P483-K487 PolarHBondContact O-N 2.97Å; P483-K487 VanDerWaalsContact O-N 3.12Å; W484-K487 PolarHBondContact O-N 2.93Å
488T95.8Very high95.2Very high46 Ų4666.1 Ų66.128%0.28235%0.354SS..THydrogen-bonded Turntrans-97.56.3-176.258.10000113.8W484 L486 A490 L491 I492W484-T488 PolarHBondContact O-N 3.37Å; W484-T488 PolarHBondContact O-OG1 3.03Å; L486-T488 VanDerWaalsContact C-N 3.32Å; L486-T488 PolarHBondContact O-N 2.89Å; T488-A490 PolarHBondContact O-N 3.07Å; T488-L491 PolarHBondContact O-N 3.07Å; T488-I492 WeakPolarHBondContact O-CG1 3.4Å; T488-I492 PolarHBondContact O-N 3.4Å; T488-I492 WeakPolarHBondContact OG1-CD1 3.5Å
489T95.4Very high95.6Very high18 Ų1867.5 Ų67.511%0.1136%0.357CS..Hα-helixtrans-51.2-51.7-17944.70000113.3I396 N400 L485 L486 L491 I492 I493I396-T489 WeakPolarHBondContact CG2-OG1 3.41Å; N400-T489 PolarHBondContact ND2-OG1 2.96Å; L485-T489 WeakPolarHBondContact O-CG2 3.47Å; L485-T489 PolarHBondContact O-N 2.61Å; L485-T489 VanDerWaalsContact O-N 3.12Å; L486-T489 HydrophobicContact CD2-CG2 4.47Å; L486-T489 PolarHBondContact O-N 3.43Å; L486-T489 PolarHBondContact O-OG1 3.01Å; T489-L491 VanDerWaalsContact C-N 3.29Å; T489-L491 PolarHBondContact O-N 3.41Å; T489-I492 PolarHBondContact O-N 3.24Å; T489-I493 WeakPolarHBondContact O-CB 3.34Å; T489-I493 WeakPolarHBondContact O-CD1 3.39Å; T489-I493 VanDerWaalsContact O-CG1 3.26Å; T489-I493 WeakPolarHBondContact O-CG1 3.29Å; T489-I493 PolarHBondContact O-N 2.98Å
490A94.6Very high95.9Very high17 Ų1767.6 Ų67.614%0.1435%0.354CS..Hα-helixtrans-58.1-44.3-176.500000111.4I396 T488 S494I396-A490 HydrophobicContact CB-CB 4.03Å; I396-A490 HydrophobicContact CG1-CB 4.13Å; I396-A490 HydrophobicContact CG2-CB 4.01Å; T488-A490 PolarHBondContact O-N 3.07Å; A490-S494 VanDerWaalsContact O-CB 3.31Å; A490-S494 WeakPolarHBondContact O-CB 3.38Å; A490-S494 PolarHBondContact O-N 3.41Å; A490-S494 PolarHBondContact O-OG 3.06Å
491L95.9Very high96.1Very high72 Ų7261.7 Ų61.738%0.37732%0.324SS..Hα-helixtrans-64.7-51.4177.4-172.3117.6000111.1P384 T488 T489 I493 S494 V495P384-L491 HydrophobicContact CG-CD1 3.43Å; P384-L491 VanDerWaalsContact CG-CD1 3.43Å; T488-L491 PolarHBondContact O-N 3.07Å; T489-L491 VanDerWaalsContact C-N 3.29Å; T489-L491 PolarHBondContact O-N 3.41Å; L491-I493 VanDerWaalsContact C-N 3.32Å; L491-I493 PolarHBondContact O-N 2.98Å; L491-S494 PolarHBondContact O-N 3.21Å; L491-S494 PolarHBondContact O-OG 2.83Å; L491-V495 WeakPolarHBondContact O-CG2 3.44Å; L491-V495 PolarHBondContact O-N 3.45Å
492I96.7Very high96.2Very high57 Ų5759.1 Ų59.129%0.29231%0.305SS..Hα-helixtrans-56.5-47.6-179.7-67.4166.5000110.7W484 T488 T489 S494 V495 L496W484-I492 HydrophobicContact CZ3-CD1 4.08Å; T488-I492 WeakPolarHBondContact O-CG1 3.4Å; T488-I492 PolarHBondContact O-N 3.4Å; T488-I492 WeakPolarHBondContact OG1-CD1 3.5Å; T489-I492 PolarHBondContact O-N 3.24Å; I492-S494 PolarHBondContact O-N 3.36Å; I492-V495 PolarHBondContact O-N 3.06Å; I492-L496 HydrophobicContact CG2-CD1 3.94Å; I492-L496 HydrophobicContact CG2-CG 4.46Å; I492-L496 WeakPolarHBondContact O-CB 3.48Å; I492-L496 WeakPolarHBondContact O-CG 3.43Å; I492-L496 PolarHBondContact O-N 3.1Å
493I96.7Very high96.2Very high32 Ų3263.5 Ų63.516%0.16433%0.325CS..Hα-helixtrans-67.7-37.3-177.6-68166000111.6L413 T416 S417 T489 L491 G497L413-I493 HydrophobicContact CB-CD1 4.02Å; L413-I493 HydrophobicContact CD1-CD1 4.27Å; L413-I493 HydrophobicContact CD2-CD1 3.72Å; L413-I493 HydrophobicContact CG-CD1 4.21Å; T416-I493 WeakPolarHBondContact OG1-CG2 3.48Å; S417-I493 VanDerWaalsContact CB-CG2 3.5Å; S417-I493 PolarHBondContact OG-O 3.06Å; T489-I493 WeakPolarHBondContact O-CB 3.34Å; T489-I493 WeakPolarHBondContact O-CD1 3.39Å; T489-I493 VanDerWaalsContact O-CG1 3.26Å; T489-I493 WeakPolarHBondContact O-CG1 3.29Å; T489-I493 PolarHBondContact O-N 2.98Å; L491-I493 VanDerWaalsContact C-N 3.32Å; L491-I493 PolarHBondContact O-N 2.98Å; I493-G497 PolarHBondContact O-N 2.93Å
494S96Very high96.1Very high12 Ų1264.2 Ų64.28%0.08432%0.324CS..Hα-helixtrans-65.5-43.9175.373.20000111.7A420 A490 L491 I492 G497 F498A420-S494 WeakPolarHBondContact CB-O 3.3Å; A490-S494 VanDerWaalsContact O-CB 3.31Å; A490-S494 WeakPolarHBondContact O-CB 3.38Å; A490-S494 PolarHBondContact O-N 3.41Å; A490-S494 PolarHBondContact O-OG 3.06Å; L491-S494 PolarHBondContact O-N 3.21Å; L491-S494 PolarHBondContact O-OG 2.83Å; I492-S494 PolarHBondContact O-N 3.36Å; S494-G497 PolarHBondContact O-N 3.16Å; S494-F498 VanDerWaalsContact O-CD2 3.22Å; S494-F498 WeakPolarHBondContact O-CD2 3.44Å; S494-F498 PolarHBondContact O-N 2.94Å
495V96.6Very high96.1Very high71 Ų7155.9 Ų55.943%0.4329%0.294SS..Hα-helixtrans-63.3-44.9176.81730000110.6L491 I492 G497 F498 L499L491-V495 WeakPolarHBondContact O-CG2 3.44Å; L491-V495 PolarHBondContact O-N 3.45Å; I492-V495 PolarHBondContact O-N 3.06Å; V495-G497 VanDerWaalsContact C-N 3.32Å; V495-G497 PolarHBondContact O-N 2.83Å; V495-F498 WeakPolarHBondContact O-CB 3.36Å; V495-F498 PolarHBondContact O-N 3.46Å; V495-L499 HydrophobicContact CG1-CD1 4.19Å; V495-L499 HydrophobicContact CG1-CG 4.49Å; V495-L499 WeakPolarHBondContact O-CG 3.47Å; V495-L499 PolarHBondContact O-N 3.48Å
496L96.9Very high96Very high89 Ų8954.9 Ų54.947%0.46629%0.289SS..Hα-helixtrans-57.8-45173.8-74.3171000111.6I492 F498 L499 I500I492-L496 HydrophobicContact CG2-CD1 3.94Å; I492-L496 HydrophobicContact CG2-CG 4.46Å; I492-L496 WeakPolarHBondContact O-CB 3.48Å; I492-L496 WeakPolarHBondContact O-CG 3.43Å; I492-L496 PolarHBondContact O-N 3.1Å; L496-F498 VanDerWaalsContact C-N 3.34Å; L496-F498 PolarHBondContact O-N 3.13Å; L496-L499 PolarHBondContact O-N 3.21Å; L496-I500 WeakPolarHBondContact O-CB 3.19Å; L496-I500 WeakPolarHBondContact O-CD1 3.35Å; L496-I500 VanDerWaalsContact O-CG1 3.23Å; L496-I500 WeakPolarHBondContact O-CG1 3.38Å; L496-I500 PolarHBondContact O-N 2.86Å
497G96.9Very high95.9Very high0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-61.1-40.5176.500000113S417 M421 I493 S494 V495 A501S417-G497 WeakPolarHBondContact OG-CA 3.49Å; M421-G497 WeakPolarHBondContact CG-O 3.39Å; I493-G497 PolarHBondContact O-N 2.93Å; S494-G497 PolarHBondContact O-N 3.16Å; V495-G497 VanDerWaalsContact C-N 3.32Å; V495-G497 PolarHBondContact O-N 2.83Å; G497-A501 VanDerWaalsContact O-CB 3.32Å; G497-A501 WeakPolarHBondContact O-CB 3.31Å; G497-A501 PolarHBondContact O-N 2.84Å
498F96.2Very high95.7Very high42 Ų4255.2 Ų55.218%0.18430%0.296CS..Hα-helixtrans-62-47.2173.9-86.8-67.7000112.4L378 T381 A420 M424 S494 V495 L496 A501 L502L378-F498 HydrophobicContact CD2-CZ 4.22Å; T381-F498 HydrophobicContact CG2-CE2 3.74Å; T381-F498 HydrophobicContact CG2-CZ 3.57Å; A420-F498 HydrophobicContact CB-CD2 3.75Å; A420-F498 HydrophobicContact CB-CE2 3.94Å; A420-F498 HydrophobicContact CB-CG 4.09Å; A420-F498 HydrophobicContact CB-CZ 4.44Å; M424-F498 HydrophobicContact CB-CD1 3.79Å; M424-F498 HydrophobicContact CB-CE1 4.09Å; M424-F498 HydrophobicContact CG-CD1 4.17Å; M424-F498 HydrophobicContact SD-CD1 4.05Å; M424-F498 HydrophobicContact SD-CE1 4.4Å; S494-F498 VanDerWaalsContact O-CD2 3.22Å; S494-F498 WeakPolarHBondContact O-CD2 3.44Å; S494-F498 PolarHBondContact O-N 2.94Å; V495-F498 WeakPolarHBondContact O-CB 3.36Å; V495-F498 PolarHBondContact O-N 3.46Å; L496-F498 VanDerWaalsContact C-N 3.34Å; L496-F498 PolarHBondContact O-N 3.13Å; F498-A501 PolarHBondContact O-N 3.42Å; F498-L502 VanDerWaalsContact O-CB 3.31Å; F498-L502 WeakPolarHBondContact O-CB 3.48Å; F498-L502 PolarHBondContact O-N 2.87Å
499L97.4Very high95.3Very high105 Ų10558.5 Ų58.555%0.5531%0.31SS..Hα-helixtrans-61.8-48.5179.8-69.6173.5000111.5V495 L496 A501 L502 E503V495-L499 HydrophobicContact CG1-CD1 4.19Å; V495-L499 HydrophobicContact CG1-CG 4.49Å; V495-L499 WeakPolarHBondContact O-CG 3.47Å; V495-L499 PolarHBondContact O-N 3.48Å; L496-L499 PolarHBondContact O-N 3.21Å; L499-A501 VanDerWaalsContact C-N 3.34Å; L499-A501 PolarHBondContact O-N 3.34Å; L499-L502 PolarHBondContact O-N 3.38Å; L499-E503 PolarHBondContact O-N 3.38Å
500I97.6Very high94.9Very high73 Ų7364.2 Ų64.237%0.37433%0.333SS..Hα-helixtrans-59-47.3178-67.4163.3000110.4M421 L496 L502 E503 L504M421-I500 HydrophobicContact CE-CB 4.05Å; M421-I500 HydrophobicContact CE-CD1 3.86Å; M421-I500 HydrophobicContact CE-CG2 3.79Å; M421-I500 HydrophobicContact SD-CG2 4.36Å; L496-I500 WeakPolarHBondContact O-CB 3.19Å; L496-I500 WeakPolarHBondContact O-CD1 3.35Å; L496-I500 VanDerWaalsContact O-CG1 3.23Å; L496-I500 WeakPolarHBondContact O-CG1 3.38Å; L496-I500 PolarHBondContact O-N 2.86Å; I500-L502 PolarHBondContact O-N 3.46Å; I500-E503 PolarHBondContact O-N 2.99Å; I500-L504 HydrophobicContact CG2-CD1 3.78Å; I500-L504 HydrophobicContact CG2-CG 4.27Å; I500-L504 WeakPolarHBondContact O-CB 3.22Å; I500-L504 VanDerWaalsContact O-CG 3.26Å; I500-L504 WeakPolarHBondContact O-CG 3.29Å; I500-L504 PolarHBondContact O-N 2.94Å
501A96.9Very high94.2Very high5 Ų572.5 Ų72.54%0.04137%0.374CS..Hα-helixtrans-67.5-37.3-178.900000112.9M421 M424 G497 F498 L499 N505M421-A501 HydrophobicContact CB-CB 3.94Å; M421-A501 HydrophobicContact CG-CB 4.08Å; M424-A501 HydrophobicContact CB-CB 3.8Å; M424-A501 HydrophobicContact CG-CB 4.04Å; G497-A501 VanDerWaalsContact O-CB 3.32Å; G497-A501 WeakPolarHBondContact O-CB 3.31Å; G497-A501 PolarHBondContact O-N 2.84Å; F498-A501 PolarHBondContact O-N 3.42Å; L499-A501 VanDerWaalsContact C-N 3.34Å; L499-A501 PolarHBondContact O-N 3.34Å; A501-N505 WeakPolarHBondContact O-CB 3.33Å; A501-N505 PolarHBondContact O-N 3.37Å; A501-N505 PolarHBondContact O-ND2 2.92Å
502L96.4Very high93.8Very high73 Ų7372.4 Ų72.438%0.38238%0.379SS..Hα-helixtrans-63.1-44.6174.8-175.6149.2000110.9M424 F498 L499 I500 N505 N506M424-L502 HydrophobicContact CE-CB 4.25Å; M424-L502 HydrophobicContact CE-CD1 3.92Å; M424-L502 HydrophobicContact CE-CG 4.23Å; M424-L502 HydrophobicContact CG-CB 4.5Å; F498-L502 VanDerWaalsContact O-CB 3.31Å; F498-L502 WeakPolarHBondContact O-CB 3.48Å; F498-L502 PolarHBondContact O-N 2.87Å; L499-L502 PolarHBondContact O-N 3.38Å; I500-L502 PolarHBondContact O-N 3.46Å; L502-N505 PolarHBondContact O-N 3.32Å; L502-N506 VanDerWaalsContact CD2-ND2 3.29Å; L502-N506 WeakPolarHBondContact CD2-ND2 3.29Å; L502-N506 WeakPolarHBondContact O-CB 3.41Å; L502-N506 PolarHBondContact O-N 2.98Å; L502-N506 PolarHBondContact O-ND2 3.06Å
503E97Very high93.2Very high128 Ų12878.3 Ų78.360%0.59841%0.408SS*.Hα-helixtrans-62.8-49.7176.2-172.2177.9-17800111.6L499 I500 N505 N506 L507L499-E503 PolarHBondContact O-N 3.38Å; I500-E503 PolarHBondContact O-N 2.99Å; E503-N505 VanDerWaalsContact C-N 3.3Å; E503-N505 PolarHBondContact O-N 2.99Å; E503-N506 PolarHBondContact O-N 3.39Å; E503-N506 VanDerWaalsContact O-N 3.11Å; E503-L507 WeakPolarHBondContact O-CG 2.96Å; E503-L507 PolarHBondContact O-N 3.37Å
504L94.6Very high92.7Very high97 Ų9782.5 Ų82.551%0.50843%0.43SS..Hα-helixtrans-57.6-42.2177.6-73174.7000112.3I500 L507 T508I500-L504 HydrophobicContact CG2-CD1 3.78Å; I500-L504 HydrophobicContact CG2-CG 4.27Å; I500-L504 WeakPolarHBondContact O-CB 3.22Å; I500-L504 VanDerWaalsContact O-CG 3.26Å; I500-L504 WeakPolarHBondContact O-CG 3.29Å; I500-L504 PolarHBondContact O-N 2.94Å; L504-L507 HydrophobicContact CD2-CD1 4.41Å; L504-L507 WeakPolarHBondContact O-CB 3.35Å; L504-L507 PolarHBondContact O-N 2.93Å; L504-T508 PolarHBondContact O-N 3.4Å
505N94.6Very high92.2Very high15 Ų1590.7 Ų90.78%0.0846%0.464CS..Hα-helixtrans-70-33.5177.9-74-23000112.4Y428 A501 L502 E503 T508Y428-N505 HydrophobicContact CD1-CB 3.57Å; Y428-N505 HydrophobicContact CD2-CB 3.96Å; Y428-N505 HydrophobicContact CE1-CB 3.64Å; Y428-N505 WeakPolarHBondContact CE1-O 3.45Å; Y428-N505 HydrophobicContact CE2-CB 4.05Å; Y428-N505 HydrophobicContact CG-CB 3.7Å; Y428-N505 PolarHBondContact OH-O 2.99Å; A501-N505 WeakPolarHBondContact O-CB 3.33Å; A501-N505 PolarHBondContact O-N 3.37Å; A501-N505 PolarHBondContact O-ND2 2.92Å; L502-N505 PolarHBondContact O-N 3.32Å; E503-N505 VanDerWaalsContact C-N 3.3Å; E503-N505 PolarHBondContact O-N 2.99Å; N505-T508 PolarHBondContact O-N 3.11Å; N505-T508 PolarHBondContact O-OG1 2.86Å
506N93.9Very high91.9Very high75 Ų7593.8 Ų93.840%0.40148%0.484SS..Hα-helixtrans-70.7-33.5173.5-73.2-17.9000111.7Y428 L502 E503 T508 M509Y428-N506 WeakPolarHBondContact CE2-OD1 3.41Å; Y428-N506 PolarHBondContact OH-OD1 3.4Å; L502-N506 VanDerWaalsContact CD2-ND2 3.29Å; L502-N506 WeakPolarHBondContact CD2-ND2 3.29Å; L502-N506 WeakPolarHBondContact O-CB 3.41Å; L502-N506 PolarHBondContact O-N 2.98Å; L502-N506 PolarHBondContact O-ND2 3.06Å; E503-N506 PolarHBondContact O-N 3.39Å; E503-N506 VanDerWaalsContact O-N 3.11Å; N506-T508 PolarHBondContact O-N 3.47Å; N506-M509 WeakPolarHBondContact O-CB 3.2Å; N506-M509 PolarHBondContact O-N 3.19Å; N506-M509 VanDerWaalsContact O-N 3.08Å
507L93.2Very high91.7Very high67 Ų6793.7 Ų93.735%0.35148%0.484SS..Hα-helixtrans-60-30.4173.5-69.8173.3000112E503 L504 M509 K510E503-L507 WeakPolarHBondContact O-CG 2.96Å; E503-L507 PolarHBondContact O-N 3.37Å; L504-L507 HydrophobicContact CD2-CD1 4.41Å; L504-L507 WeakPolarHBondContact O-CB 3.35Å; L504-L507 PolarHBondContact O-N 2.93Å; L507-M509 PolarHBondContact O-N 3.19Å; L507-K510 HydrophobicContact CD2-CD 3.87Å; L507-K510 WeakPolarHBondContact O-CB 3.37Å; L507-K510 PolarHBondContact O-N 3.12Å
508T90.5Very high91.6Very high65 Ų6598.1 Ų98.140%0.39951%0.512SS..THydrogen-bonded Turntrans-66.3-17.9177.274.30000113.8L504 N505 N506L504-T508 PolarHBondContact O-N 3.4Å; N505-T508 PolarHBondContact O-N 3.11Å; N505-T508 PolarHBondContact O-OG1 2.86Å; N506-T508 PolarHBondContact O-N 3.47Å
509M86.6Confident91.5Very high116 Ų116105.2 Ų105.257%0.57154%0.539SS*.THydrogen-bonded Turntrans-81-18.7175.2-66.2-64.9-17600112.5Y428 T433 N506 L507Y428-M509 HydrophobicContact CE1-CE 4.3Å; Y428-M509 WeakPolarHBondContact OH-CE 3.5Å; Y428-M509 WeakPolarHBondContact OH-CG 3.42Å; T433-M509 HydrophobicContact CG2-CE 3.61Å; N506-M509 WeakPolarHBondContact O-CB 3.2Å; N506-M509 PolarHBondContact O-N 3.19Å; N506-M509 VanDerWaalsContact O-N 3.08Å; L507-M509 PolarHBondContact O-N 3.19Å
510K88.3Confident91.3Very high137 Ų137102.3 Ų102.360%0.59653%0.528SS*.SBendtrans-71.7143174.4-60.6-178.1-178175.70108.7L507 S512L507-K510 HydrophobicContact CD2-CD 3.87Å; L507-K510 WeakPolarHBondContact O-CB 3.37Å; L507-K510 PolarHBondContact O-N 3.12Å; K510-S512 PolarHBondContact O-N 3.18Å
511L79.6Confident91.1Very high192 Ų192100.7 Ų100.7100%1.00552%0.523SS*.SBendtrans-74.759.8178.2-65.9168.9000111.2
512S86.1Confident91.1Very high69 Ų69104.3 Ų104.348%0.48354%0.538SS..  trans-108.5128.2171.558.40000109.6K510 N514K510-S512 PolarHBondContact O-N 3.18Å; S512-N514 PolarHBondContact O-N 3.24Å
513M85.5Confident91.1Very high182 Ų182101 Ų10190%0.89752%0.521SS*.PPolyproline II helixtrans-72.2119.6176.9-168.862.8-176.300110.3
514N85.3Confident91Very high119 Ų11997.8 Ų97.864%0.63651%0.51SS*.PPolyproline II helixtrans-76126.5178.8-66.6-17.5000110.2S512S512-N514 PolarHBondContact O-N 3.24Å
515K86.9Confident91.1Very high184 Ų18497.4 Ų97.480%0.851%0.508SS*.PPolyproline II helixtrans-87.3149.6170.4-67.3-177.3-179.5178.50110.4N517K515-N517 PolarHBondContact O-N 2.87Å
516T88.7Confident91.1Very high137 Ų13798 Ų9884%0.8451%0.511SS*.PPolyproline II helixtrans-74.4122.8172.646.80000109.6
517N93.2Very high91.1Very high87 Ų8795.2 Ų95.247%0.46550%0.5SS..  trans-107147.5177.6-69.7-8.7000110.2K515 Y519 S520 S521K515-N517 PolarHBondContact O-N 2.87Å; N517-Y519 PolarHBondContact O-N 3.31Å; N517-S520 PolarHBondContact N-OG 3.46Å; N517-S520 VanDerWaalsContact N-OG 3.11Å; N517-S520 PolarHBondContact O-N 2.93Å; N517-S520 PolarHBondContact O-OG 3.32Å; N517-S521 PolarHBondContact O-N 3.25Å; N517-S521 PolarHBondContact O-OG 3.14Å
518P94.2Very high91.2Very high92 Ų9295.7 Ų95.760%0.59750%0.499SS*.Hα-helixtrans-58.3-32.8176.724-33.8000112.3S521 F522P518-S521 WeakPolarHBondContact CA-OG 3.45Å; P518-S521 PolarHBondContact O-OG 3.01Å; P518-F522 WeakPolarHBondContact O-CB 3.29Å; P518-F522 PolarHBondContact O-N 3.17Å
519Y94.7Very high91.5Very high191 Ų19194.3 Ų94.375%0.74949%0.488SS*.Hα-helixtrans-67.6-40.5175.6-51.2-63.3000112.5N517 F522 S523N517-Y519 PolarHBondContact O-N 3.31Å; Y519-F522 PolarHBondContact O-N 3.45Å; Y519-S523 PolarHBondContact O-N 2.75Å; Y519-S523 VanDerWaalsContact O-N 3.1Å
520S92.4Very high91.9Very high45 Ų4590 Ų9032%0.31547%0.468SS..Hα-helixtrans-67.9-39.8177.665.60000111.4N517 S523 T524N517-S520 PolarHBondContact N-OG 3.46Å; N517-S520 VanDerWaalsContact N-OG 3.11Å; N517-S520 PolarHBondContact O-N 2.93Å; N517-S520 PolarHBondContact O-OG 3.32Å; S520-S523 PolarHBondContact O-N 3Å; S520-T524 WeakPolarHBondContact O-CG2 3.32Å; S520-T524 PolarHBondContact O-N 3.13Å; S520-T524 PolarHBondContact O-OG1 3.4Å
521S94.5Very high92.3Very high38 Ų3885.6 Ų85.627%0.26646%0.455SS..Hα-helixtrans-69.3-35.4175.958.40000112.5N517 P518 T524 L525N517-S521 PolarHBondContact O-N 3.25Å; N517-S521 PolarHBondContact O-OG 3.14Å; P518-S521 WeakPolarHBondContact CA-OG 3.45Å; P518-S521 PolarHBondContact O-OG 3.01Å; S521-T524 WeakPolarHBondContact CA-OG1 3.12Å; S521-T524 PolarHBondContact O-N 3.34Å; S521-T524 PolarHBondContact O-OG1 3.11Å; S521-T524 VanDerWaalsContact O-OG1 3.1Å; S521-L525 VanDerWaalsContact O-CB 3.31Å; S521-L525 WeakPolarHBondContact O-CB 3.23Å; S521-L525 PolarHBondContact O-N 3.32Å
522F96.8Very high93.1Very high82 Ų8280.8 Ų80.836%0.3643%0.429SS..Hα-helixtrans-60-45.6172.9-177.9-89.5000111.7F287 P518 Y519 L526 G527 F528F287-F522 HydrophobicContact CE2-CE1 4.35Å; F287-F522 HydrophobicContact CE2-CZ 4.21Å; P518-F522 WeakPolarHBondContact O-CB 3.29Å; P518-F522 PolarHBondContact O-N 3.17Å; Y519-F522 PolarHBondContact O-N 3.45Å; F522-L526 PolarHBondContact O-N 3.45Å; F522-G527 VanDerWaalsContact CZ-CA 3.49Å; F522-G527 PolarHBondContact O-N 3.48Å; F522-F528 HydrophobicContact CB-CE2 4.31Å; F522-F528 HydrophobicContact CD2-CD2 4.05Å; F522-F528 HydrophobicContact CD2-CE2 4Å
523S96.2Very high93.6Very high4 Ų480 Ų803%0.02842%0.419CS..Hα-helixtrans-65.6-44.7177.3172.10000112.2I290 T294 Y519 S520 L525 L526I290-S523 PolarHBondContact O-OG 2.88Å; T294-S523 WeakPolarHBondContact CG2-OG 3.31Å; T294-S523 VanDerWaalsContact OG1-C 3.29Å; T294-S523 WeakPolarHBondContact OG1-CB 3.47Å; T294-S523 PolarHBondContact OG1-OG 3.21Å; Y519-S523 PolarHBondContact O-N 2.75Å; Y519-S523 VanDerWaalsContact O-N 3.1Å; S520-S523 PolarHBondContact O-N 3Å; S523-L525 PolarHBondContact O-N 3.23Å; S523-L526 PolarHBondContact O-N 3Å
524T95.5Very high94.1Very high60 Ų6074.3 Ų74.337%0.36839%0.39SS..Hα-helixtrans-68.5-37.2-177.754.30000112.4T294 Q295 S520 S521 L526T294-T524 HydrophobicContact CG2-CG2 4.4Å; T294-T524 WeakPolarHBondContact OG1-CA 3.39Å; T294-T524 WeakPolarHBondContact OG1-CG2 3.38Å; T294-T524 PolarHBondContact OG1-N 3.04Å; T294-T524 VanDerWaalsContact OG1-N 3.09Å; Q295-T524 PolarHBondContact NE2-O 2.98Å; S520-T524 WeakPolarHBondContact O-CG2 3.32Å; S520-T524 PolarHBondContact O-N 3.13Å; S520-T524 PolarHBondContact O-OG1 3.4Å; S521-T524 WeakPolarHBondContact CA-OG1 3.12Å; S521-T524 PolarHBondContact O-N 3.34Å; S521-T524 PolarHBondContact O-OG1 3.11Å; S521-T524 VanDerWaalsContact O-OG1 3.1Å; T524-L526 VanDerWaalsContact C-N 3.33Å; T524-L526 PolarHBondContact O-N 3.1Å
525L95.4Very high94.6Very high89 Ų8977.5 Ų77.547%0.46639%0.393SS..THydrogen-bonded Turntrans-93.216.9-176.9-64.4166.8000113.6S521 S523 G527 F528S521-L525 VanDerWaalsContact O-CB 3.31Å; S521-L525 WeakPolarHBondContact O-CB 3.23Å; S521-L525 PolarHBondContact O-N 3.32Å; S523-L525 PolarHBondContact O-N 3.23Å; L525-G527 PolarHBondContact O-N 2.57Å; L525-F528 HydrophobicContact CB-CD1 3.97Å; L525-F528 HydrophobicContact CB-CE1 4.03Å; L525-F528 HydrophobicContact CD1-CD1 3.93Å; L525-F528 HydrophobicContact CD1-CE1 3.36Å; L525-F528 HydrophobicContact CD1-CZ 4.24Å; L525-F528 HydrophobicContact CG-CE1 4.33Å; L525-F528 PolarHBondContact O-N 2.92Å; L525-F528 VanDerWaalsContact O-N 3.08Å
526L94.9Very high95.1Very high28 Ų2872.6 Ų72.615%0.14738%0.375CS..G310 helixtrans56.847.9175.5-50.7-179.6000112.7C291 F304 F522 S523 T524 F528 F529 P530C291-L526 HydrophobicContact CB-CD2 3.69Å; F304-L526 HydrophobicContact CE1-CD2 3.8Å; F304-L526 HydrophobicContact CE2-CD2 3.68Å; F304-L526 HydrophobicContact CZ-CD1 3.8Å; F304-L526 HydrophobicContact CZ-CD2 3.12Å; F304-L526 HydrophobicContact CZ-CG 4.09Å; F522-L526 PolarHBondContact O-N 3.45Å; S523-L526 PolarHBondContact O-N 3Å; T524-L526 VanDerWaalsContact C-N 3.33Å; T524-L526 PolarHBondContact O-N 3.1Å; L526-F528 PolarHBondContact O-N 3.3Å; L526-F528 VanDerWaalsContact O-N 3.16Å; L526-F529 PolarHBondContact O-N 3.15Å; L526-F529 VanDerWaalsContact O-N 3.12Å; L526-P530 HydrophobicContact CB-CG 4.08Å; L526-P530 HydrophobicContact CD1-CG 4.12Å; L526-P530 WeakPolarHBondContact O-CD 3.21Å
527G93.8Very high95.4Very high15 Ų1569.8 Ų69.816%0.15536%0.357CS..G310 helixtrans61.722.3-178.200000114.3F522 L525 F529F522-G527 VanDerWaalsContact CZ-CA 3.49Å; F522-G527 PolarHBondContact O-N 3.48Å; L525-G527 PolarHBondContact O-N 2.57Å; G527-F529 PolarHBondContact O-N 3.24Å
528F96.5Very high95.6Very high77 Ų7768 Ų6834%0.33835%0.35SS..G310 helixtrans588.4-172.1-50-78.6000114.4F522 L525 L526 S531 I532F522-F528 HydrophobicContact CB-CE2 4.31Å; F522-F528 HydrophobicContact CD2-CD2 4.05Å; F522-F528 HydrophobicContact CD2-CE2 4Å; L525-F528 HydrophobicContact CB-CD1 3.97Å; L525-F528 HydrophobicContact CB-CE1 4.03Å; L525-F528 HydrophobicContact CD1-CD1 3.93Å; L525-F528 HydrophobicContact CD1-CE1 3.36Å; L525-F528 HydrophobicContact CD1-CZ 4.24Å; L525-F528 HydrophobicContact CG-CE1 4.33Å; L525-F528 PolarHBondContact O-N 2.92Å; L525-F528 VanDerWaalsContact O-N 3.08Å; L526-F528 PolarHBondContact O-N 3.3Å; L526-F528 VanDerWaalsContact O-N 3.16Å; F528-S531 VanDerWaalsContact C-OG 3.24Å; F528-S531 VanDerWaalsContact CA-OG 3.23Å; F528-S531 WeakPolarHBondContact CA-OG 3.31Å; F528-S531 PolarHBondContact O-N 3.22Å; F528-S531 PolarHBondContact O-OG 3.32Å; F528-I532 HydrophobicContact CB-CD1 3.94Å; F528-I532 HydrophobicContact CB-CG1 4.43Å; F528-I532 VanDerWaalsContact O-CG1 3.29Å; F528-I532 WeakPolarHBondContact O-CG1 3.32Å; F528-I532 PolarHBondContact O-N 3.28Å
529F95.8Very high95.8Very high37 Ų3769.5 Ų69.516%0.16235%0.351CS..Hα-helixtrans-63.9-52.8-173.6-178.8-76.3000111.4G228 H230 P231 L526 G527 S531 I532 I533G228-F529 VanDerWaalsContact O-CZ 3.26Å; G228-F529 WeakPolarHBondContact O-CZ 3.5Å; H230-F529 AromaticContact CE1-CD1 3.73Å; H230-F529 AromaticContact CE1-CE1 3.99Å; H230-F529 AromaticContact CE1-CG 3.85Å; P231-F529 HydrophobicContact CG-CD1 3.5Å; P231-F529 VanDerWaalsContact CG-CD1 3.5Å; P231-F529 HydrophobicContact CG-CE1 3.49Å; P231-F529 VanDerWaalsContact CG-CE1 3.49Å; L526-F529 PolarHBondContact O-N 3.15Å; L526-F529 VanDerWaalsContact O-N 3.12Å; G527-F529 PolarHBondContact O-N 3.24Å; F529-S531 VanDerWaalsContact C-N 3.35Å; F529-S531 PolarHBondContact O-N 3.46Å; F529-I532 PolarHBondContact O-N 3.44Å; F529-I533 HydrophobicContact CD1-CD1 3.8Å; F529-I533 HydrophobicContact CD2-CD1 3.41Å; F529-I533 VanDerWaalsContact CD2-CD1 3.41Å; F529-I533 HydrophobicContact CE1-CB 4.46Å; F529-I533 HydrophobicContact CE1-CD1 3.49Å; F529-I533 VanDerWaalsContact CE1-CD1 3.49Å; F529-I533 HydrophobicContact CE2-CD1 3.1Å; F529-I533 HydrophobicContact CG-CD1 3.75Å; F529-I533 HydrophobicContact CZ-CD1 3.13Å; F529-I533 HydrophobicContact CZ-CG1 4.49Å; F529-I533 WeakPolarHBondContact O-CB 3.46Å; F529-I533 PolarHBondContact O-N 2.9Å
530P95.5Very high95.9Very high25 Ų2567.6 Ų67.616%0.16235%0.347CS..Hα-helixtrans-61.5-42.1175.8-22.535.6000112.2P231 L526 I532 H534P231-P530 HydrophobicContact CB-CG 4.24Å; P231-P530 HydrophobicContact CG-CG 4.39Å; L526-P530 HydrophobicContact CB-CG 4.08Å; L526-P530 HydrophobicContact CD1-CG 4.12Å; L526-P530 WeakPolarHBondContact O-CD 3.21Å; P530-I532 VanDerWaalsContact C-N 3.25Å; P530-I532 PolarHBondContact O-N 3.32Å; P530-H534 WeakPolarHBondContact O-CB 3.45Å; P530-H534 PolarHBondContact O-N 3.07Å
531S95.9Very high96.1Very high45 Ų4568.7 Ų68.732%0.31535%0.354SS..Hα-helixtrans-63.1-29.9-177.351.20000113.9F528 F529 R535F528-S531 VanDerWaalsContact C-OG 3.24Å; F528-S531 VanDerWaalsContact CA-OG 3.23Å; F528-S531 WeakPolarHBondContact CA-OG 3.31Å; F528-S531 PolarHBondContact O-N 3.22Å; F528-S531 PolarHBondContact O-OG 3.32Å; F529-S531 VanDerWaalsContact C-N 3.35Å; F529-S531 PolarHBondContact O-N 3.46Å; S531-R535 VanDerWaalsContact O-CD 3.28Å; S531-R535 WeakPolarHBondContact O-CD 3.5Å; S531-R535 WeakPolarHBondContact O-CG 3.48Å
532I97.3Very high96.3Very high90 Ų9072.3 Ų72.346%0.46237%0.37SS..Hα-helixtrans-89.3-56.1178.8-64.7168000109.7F528 F529 P530 R535 I536F528-I532 HydrophobicContact CB-CD1 3.94Å; F528-I532 HydrophobicContact CB-CG1 4.43Å; F528-I532 VanDerWaalsContact O-CG1 3.29Å; F528-I532 WeakPolarHBondContact O-CG1 3.32Å; F528-I532 PolarHBondContact O-N 3.28Å; F529-I532 PolarHBondContact O-N 3.44Å; P530-I532 VanDerWaalsContact C-N 3.25Å; P530-I532 PolarHBondContact O-N 3.32Å; I532-R535 PolarHBondContact O-N 3.46Å; I532-I536 HydrophobicContact CG2-CD1 3.64Å; I532-I536 WeakPolarHBondContact O-CB 3.45Å; I532-I536 WeakPolarHBondContact O-CG1 3.45Å; I532-I536 PolarHBondContact O-N 2.98Å
533I96.9Very high96.3Very high53 Ų5371.6 Ų71.627%0.27237%0.37SS..Hα-helixtrans-71.5-44.6-168.7-71.2166.5000111.3F529 R535 T537F529-I533 HydrophobicContact CD1-CD1 3.8Å; F529-I533 HydrophobicContact CD2-CD1 3.41Å; F529-I533 VanDerWaalsContact CD2-CD1 3.41Å; F529-I533 HydrophobicContact CE1-CB 4.46Å; F529-I533 HydrophobicContact CE1-CD1 3.49Å; F529-I533 VanDerWaalsContact CE1-CD1 3.49Å; F529-I533 HydrophobicContact CE2-CD1 3.1Å; F529-I533 HydrophobicContact CG-CD1 3.75Å; F529-I533 HydrophobicContact CZ-CD1 3.13Å; F529-I533 HydrophobicContact CZ-CG1 4.49Å; F529-I533 WeakPolarHBondContact O-CB 3.46Å; F529-I533 PolarHBondContact O-N 2.9Å; I533-R535 PolarHBondContact O-N 2.88Å; I533-R535 VanDerWaalsContact O-N 3.17Å; I533-T537 HydrophobicContact CG2-CG2 3.93Å; I533-T537 WeakPolarHBondContact O-CB 3.42Å; I533-T537 WeakPolarHBondContact O-CG2 3.35Å; I533-T537 PolarHBondContact O-N 3.37Å; I533-T537 PolarHBondContact O-OG1 3.34Å
534H95.8Very high96.4Very high63 Ų6376.4 Ų76.429%0.29240%0.395SS..Hα-helixtrans-71.3-8.9-179.6-57.8164.5000113.5Q170 Y174 P530 P538Q170-H534 PolarHBondContact NE2-CE1 3.35Å; Y174-H534 AromaticContact CE2-NE2 3.96Å; Y174-H534 AromaticContact CZ-NE2 3.83Å; Y174-H534 PolarHBondContact OH-NE2 3.31Å; P530-H534 WeakPolarHBondContact O-CB 3.45Å; P530-H534 PolarHBondContact O-N 3.07Å; H534-P538 WeakPolarHBondContact O-CD 3.32Å; H534-P538 WeakPolarHBondContact O-CG 3.43Å
535R95Very high96.5Very high186 Ų18676.5 Ų76.570%0.70240%0.398SS*.Hα-helixtrans-97.8-51.5172.2-66-173.8-179.5178-1.8111.4S531 I532 I533 M539S531-R535 VanDerWaalsContact O-CD 3.28Å; S531-R535 WeakPolarHBondContact O-CD 3.5Å; S531-R535 WeakPolarHBondContact O-CG 3.48Å; I532-R535 PolarHBondContact O-N 3.46Å; I533-R535 PolarHBondContact O-N 2.88Å; I533-R535 VanDerWaalsContact O-N 3.17Å; R535-M539 WeakPolarHBondContact O-CB 3.14Å; R535-M539 PolarHBondContact O-N 2.96Å
536I97.6Very high96.6Very high81 Ų8176.8 Ų76.842%0.41540%0.4SS..Hα-helixtrans-71.9-43.4-172.4-62.2174.5000111.5I532 M539 K540I532-I536 HydrophobicContact CG2-CD1 3.64Å; I532-I536 WeakPolarHBondContact O-CB 3.45Å; I532-I536 WeakPolarHBondContact O-CG1 3.45Å; I532-I536 PolarHBondContact O-N 2.98Å; I536-M539 PolarHBondContact O-N 3.38Å; I536-K540 HydrophobicContact CG2-CD 3.99Å; I536-K540 HydrophobicContact CG2-CG 4.34Å; I536-K540 WeakPolarHBondContact O-CB 3.42Å; I536-K540 WeakPolarHBondContact O-CG 3.36Å; I536-K540 PolarHBondContact O-N 2.97Å
537T96.6Very high96.7Very high77 Ų7781.4 Ų81.447%0.47242%0.418SS..Hα-helixtrans-64.8-50.8-176.360.80000113I533 M539 K540 S541I533-T537 HydrophobicContact CG2-CG2 3.93Å; I533-T537 WeakPolarHBondContact O-CB 3.42Å; I533-T537 WeakPolarHBondContact O-CG2 3.35Å; I533-T537 PolarHBondContact O-N 3.37Å; I533-T537 PolarHBondContact O-OG1 3.34Å; T537-M539 PolarHBondContact O-N 2.94Å; T537-K540 PolarHBondContact O-N 3.11Å; T537-S541 PolarHBondContact O-N 2.79Å; T537-S541 PolarHBondContact O-OG 3.15Å
538P96.9Very high96.9Very high49 Ų4983.5 Ų83.532%0.31843%0.428SS..Hα-helixtrans-68.8-34.4177.127.3-34.4000112.3H534 K540 S541 L542H534-P538 WeakPolarHBondContact O-CD 3.32Å; H534-P538 WeakPolarHBondContact O-CG 3.43Å; P538-K540 VanDerWaalsContact C-N 3.35Å; P538-K540 PolarHBondContact O-N 3.46Å; P538-S541 WeakPolarHBondContact CA-OG 3.49Å; P538-S541 PolarHBondContact O-N 3.34Å; P538-S541 PolarHBondContact O-OG 3.29Å; P538-L542 VanDerWaalsContact O-CB 3.27Å; P538-L542 WeakPolarHBondContact O-CB 3.27Å; P538-L542 VanDerWaalsContact O-CG 3.27Å; P538-L542 WeakPolarHBondContact O-CG 3.15Å; P538-L542 PolarHBondContact O-N 3.1Å
539M97.6Very high96.9Very high125 Ų12582.6 Ų82.662%0.61643%0.432SS*.Hα-helixtrans-61.5-44177.3-177.4-178.1-176.800111.4R535 I536 T537 N543R535-M539 WeakPolarHBondContact O-CB 3.14Å; R535-M539 PolarHBondContact O-N 2.96Å; I536-M539 PolarHBondContact O-N 3.38Å; T537-M539 PolarHBondContact O-N 2.94Å; M539-N543 WeakPolarHBondContact O-CB 3.45Å; M539-N543 VanDerWaalsContact O-CG 3.28Å; M539-N543 PolarHBondContact O-N 2.86Å; M539-N543 VanDerWaalsContact O-N 3.16Å; M539-N543 PolarHBondContact O-ND2 3.34Å
540K97.3Very high97Very high151 Ų15185.1 Ų85.166%0.65745%0.446SS*.Hα-helixtrans-69.8-43.9177.3-73.1-174.9177.8-175.90111.8I536 T537 P538 L544I536-K540 HydrophobicContact CG2-CD 3.99Å; I536-K540 HydrophobicContact CG2-CG 4.34Å; I536-K540 WeakPolarHBondContact O-CB 3.42Å; I536-K540 WeakPolarHBondContact O-CG 3.36Å; I536-K540 PolarHBondContact O-N 2.97Å; T537-K540 PolarHBondContact O-N 3.11Å; P538-K540 VanDerWaalsContact C-N 3.35Å; P538-K540 PolarHBondContact O-N 3.46Å; K540-L544 VanDerWaalsContact O-CB 3.3Å; K540-L544 WeakPolarHBondContact O-CB 3.37Å; K540-L544 PolarHBondContact O-N 2.91Å
541S97.5Very high97.1Very high67 Ų6786.3 Ų86.347%0.46945%0.453SS..Hα-helixtrans-65.5-44.9-178.167.20000112.3T537 P538 L544 S545T537-S541 PolarHBondContact O-N 2.79Å; T537-S541 PolarHBondContact O-OG 3.15Å; P538-S541 WeakPolarHBondContact CA-OG 3.49Å; P538-S541 PolarHBondContact O-N 3.34Å; P538-S541 PolarHBondContact O-OG 3.29Å; S541-L544 PolarHBondContact O-N 3.43Å; S541-S545 WeakPolarHBondContact O-CB 3.39Å; S541-S545 PolarHBondContact O-N 2.79Å; S541-S545 PolarHBondContact O-OG 2.99Å
542L97.1Very high97.1Very high114 Ų11487.8 Ų87.860%0.59746%0.457SS*.Hα-helixtrans-69.5-37.3179.2-67.5171.8000112.2P538 L544 S545 L546P538-L542 VanDerWaalsContact O-CB 3.27Å; P538-L542 WeakPolarHBondContact O-CB 3.27Å; P538-L542 VanDerWaalsContact O-CG 3.27Å; P538-L542 WeakPolarHBondContact O-CG 3.15Å; P538-L542 PolarHBondContact O-N 3.1Å; L542-L544 VanDerWaalsContact C-N 3.35Å; L542-S545 WeakPolarHBondContact CA-OG 3.43Å; L542-S545 PolarHBondContact O-OG 3.08Å; L542-L546 WeakPolarHBondContact O-CB 3.42Å; L542-L546 PolarHBondContact O-N 3.42Å
543N97.9Very high97.1Very high67 Ų6787.7 Ų87.736%0.35846%0.457SS..Hα-helixtrans-66.1-39.4173.5-83.1-49.5000111.8M539 K547M539-N543 WeakPolarHBondContact O-CB 3.45Å; M539-N543 VanDerWaalsContact O-CG 3.28Å; M539-N543 PolarHBondContact O-N 2.86Å; M539-N543 VanDerWaalsContact O-N 3.16Å; M539-N543 PolarHBondContact O-ND2 3.34Å; N543-K547 VanDerWaalsContact O-CB 3.27Å; N543-K547 WeakPolarHBondContact O-CB 3.4Å; N543-K547 WeakPolarHBondContact O-CG 3.43Å; N543-K547 PolarHBondContact O-N 3.42Å
544L97.8Very high97.1Very high106 Ų10688.8 Ų88.856%0.55546%0.464SS*.Hα-helixtrans-65.1-47.9176.1-17171.4000110.4K540 S541 L542 L546 T548 S549K540-L544 VanDerWaalsContact O-CB 3.3Å; K540-L544 WeakPolarHBondContact O-CB 3.37Å; K540-L544 PolarHBondContact O-N 2.91Å; S541-L544 PolarHBondContact O-N 3.43Å; L542-L544 VanDerWaalsContact C-N 3.35Å; L544-L546 VanDerWaalsContact C-N 3.34Å; L544-L546 PolarHBondContact O-N 3.22Å; L544-T548 HydrophobicContact CD1-CG2 3.66Å; L544-T548 VanDerWaalsContact CD1-OG1 3.29Å; L544-T548 WeakPolarHBondContact CD1-OG1 3.45Å; L544-T548 WeakPolarHBondContact CG-OG1 3.36Å; L544-T548 WeakPolarHBondContact O-CB 3.39Å; L544-T548 PolarHBondContact O-N 3.1Å; L544-T548 PolarHBondContact O-OG1 3.09Å; L544-S549 PolarHBondContact O-N 3Å
545S97.9Very high97.2Very high62 Ų6289.9 Ų89.943%0.43447%0.471SS..Iπ-helixtrans-61-41.4179.966.90000112.3S541 L542 S549 L550S541-S545 WeakPolarHBondContact O-CB 3.39Å; S541-S545 PolarHBondContact O-N 2.79Å; S541-S545 PolarHBondContact O-OG 2.99Å; L542-S545 WeakPolarHBondContact CA-OG 3.43Å; L542-S545 PolarHBondContact O-OG 3.08Å; S545-S549 WeakPolarHBondContact O-CB 3.36Å; S545-L550 PolarHBondContact O-N 3.44Å; S545-L550 VanDerWaalsContact O-N 3.07Å
546L97.6Very high97.3Very high95 Ų9585.8 Ų85.850%0.49746%0.462SS..Iπ-helixtrans-74.4-53.9179-174.7141.4000112L542 L544 T551L542-L546 WeakPolarHBondContact O-CB 3.42Å; L542-L546 PolarHBondContact O-N 3.42Å; L544-L546 VanDerWaalsContact C-N 3.34Å; L544-L546 PolarHBondContact O-N 3.22Å; L546-T551 HydrophobicContact CD2-CG2 4.28Å; L546-T551 WeakPolarHBondContact O-CG2 3.31Å; L546-T551 PolarHBondContact O-N 3.17Å; L546-T551 PolarHBondContact O-OG1 3.45Å
547K97Very high97.3Very high124 Ų12488.4 Ų88.454%0.53947%0.467SS..Iπ-helixtrans-74.8-45.5-170.5-65.7-176.9-179.6-178.10112.6N543 T551 L552N543-K547 VanDerWaalsContact O-CB 3.27Å; N543-K547 WeakPolarHBondContact O-CB 3.4Å; N543-K547 WeakPolarHBondContact O-CG 3.43Å; N543-K547 PolarHBondContact O-N 3.42Å; K547-T551 VanDerWaalsContact CA-OG1 3.29Å; K547-T551 WeakPolarHBondContact CA-OG1 3.41Å; K547-T551 PolarHBondContact O-OG1 2.91Å; K547-L552 WeakPolarHBondContact O-CB 3.22Å; K547-L552 PolarHBondContact O-N 3.41Å; K547-L552 VanDerWaalsContact O-N 3.09Å
548T96.9Very high97.3Very high59 Ų5989.1 Ų89.136%0.36247%0.467SS..Iπ-helixtrans-88.2-50.4-173.364.30000112.3L544 L553L544-T548 HydrophobicContact CD1-CG2 3.66Å; L544-T548 VanDerWaalsContact CD1-OG1 3.29Å; L544-T548 WeakPolarHBondContact CD1-OG1 3.45Å; L544-T548 WeakPolarHBondContact CG-OG1 3.36Å; L544-T548 WeakPolarHBondContact O-CB 3.39Å; L544-T548 PolarHBondContact O-N 3.1Å; L544-T548 PolarHBondContact O-OG1 3.09Å; T548-L553 VanDerWaalsContact O-CG 3.31Å; T548-L553 WeakPolarHBondContact O-CG 3.38Å; T548-L553 PolarHBondContact O-N 3.34Å
549S96.9Very high97.3Very high59 Ų5990.4 Ų90.441%0.41347%0.469SS..Iπ-helixtrans-73.6-64.1-179.1163.60000111.2L544 S545 L553 D554L544-S549 PolarHBondContact O-N 3Å; S545-S549 WeakPolarHBondContact O-CB 3.36Å; S549-L553 WeakPolarHBondContact O-CB 3.38Å; S549-L553 PolarHBondContact O-N 3.24Å; S549-D554 PolarHBondContact O-N 3.35Å
550L97.2Very high97.3Very high89 Ų8989.9 Ų89.947%0.46646%0.463SS..Iπ-helixtrans-70.5-60-172.6-170.2102.4000112.7S545 D554 L555S545-L550 PolarHBondContact O-N 3.44Å; S545-L550 VanDerWaalsContact O-N 3.07Å; L550-D554 PolarHBondContact O-N 2.94Å; L550-L555 HydrophobicContact CD2-CD1 4.04Å; L550-L555 HydrophobicContact CG-CD1 4.18Å; L550-L555 WeakPolarHBondContact O-CG 3.27Å; L550-L555 PolarHBondContact O-N 3.01Å
551T97.7Very high97.3Very high51 Ų5187.3 Ų87.331%0.31346%0.456SS..Iπ-helixtrans-75.7-43.6-169.2590000112.8L546 K547 I556L546-T551 HydrophobicContact CD2-CG2 4.28Å; L546-T551 WeakPolarHBondContact O-CG2 3.31Å; L546-T551 PolarHBondContact O-N 3.17Å; L546-T551 PolarHBondContact O-OG1 3.45Å; K547-T551 VanDerWaalsContact CA-OG1 3.29Å; K547-T551 WeakPolarHBondContact CA-OG1 3.41Å; K547-T551 PolarHBondContact O-OG1 2.91Å; T551-I556 WeakPolarHBondContact O-CB 3.12Å; T551-I556 VanDerWaalsContact O-CD1 3.22Å; T551-I556 WeakPolarHBondContact O-CD1 3.36Å; T551-I556 WeakPolarHBondContact O-CG1 3.38Å; T551-I556 PolarHBondContact O-N 3.02Å
552L97.6Very high97.2Very high76 Ų7689.2 Ų89.240%0.39846%0.46SS..Iπ-helixtrans-80.6-54.9-174.9-174.7153.5000110.9K547 I556 W557K547-L552 WeakPolarHBondContact O-CB 3.22Å; K547-L552 PolarHBondContact O-N 3.41Å; K547-L552 VanDerWaalsContact O-N 3.09Å; L552-I556 WeakPolarHBondContact O-CB 2.96Å; L552-W557 PolarHBondContact O-N 3.44Å
553L96.8Very high97.2Very high88 Ų8887.1 Ų87.146%0.46145%0.453SS..Iπ-helixtrans-75.2-62.4-176.6-67170.8000111.6T548 S549 W557 L558T548-L553 VanDerWaalsContact O-CG 3.31Å; T548-L553 WeakPolarHBondContact O-CG 3.38Å; T548-L553 PolarHBondContact O-N 3.34Å; S549-L553 WeakPolarHBondContact O-CB 3.38Å; S549-L553 PolarHBondContact O-N 3.24Å; L553-W557 PolarHBondContact O-N 2.93Å; L553-L558 WeakPolarHBondContact O-CG 3.27Å; L553-L558 PolarHBondContact O-N 3.42Å
554D96.7Very high97.1Very high75 Ų7588.1 Ų88.140%0.40145%0.454SS..Iπ-helixtrans-70.9-50.9-167.5-61.3-23.4000112.5S549 L550S549-D554 PolarHBondContact O-N 3.35Å; L550-D554 PolarHBondContact O-N 2.94Å
555L97.1Very high97.1Very high87 Ų8785.3 Ų85.346%0.45544%0.443SS..Iπ-helixtrans-81.3-30-174.6-65.3175.9000113.9L550 E559L550-L555 HydrophobicContact CD2-CD1 4.04Å; L550-L555 HydrophobicContact CG-CD1 4.18Å; L550-L555 WeakPolarHBondContact O-CG 3.27Å; L550-L555 PolarHBondContact O-N 3.01Å; L555-E559 WeakPolarHBondContact O-CG 3.39Å
556I97.1Very high97.1Very high99 Ų9985.5 Ų85.551%0.50844%0.442SS..Iπ-helixtrans-103.2-64.9-176.6-64.3166.5000111.2T551 L552 K560T551-I556 WeakPolarHBondContact O-CB 3.12Å; T551-I556 VanDerWaalsContact O-CD1 3.22Å; T551-I556 WeakPolarHBondContact O-CD1 3.36Å; T551-I556 WeakPolarHBondContact O-CG1 3.38Å; T551-I556 PolarHBondContact O-N 3.02Å; L552-I556 WeakPolarHBondContact O-CB 2.96Å; I556-K560 WeakPolarHBondContact O-CB 3.33Å; I556-K560 PolarHBondContact O-N 3.16Å
557W97.3Very high97.1Very high137 Ų13783.7 Ų83.752%0.51944%0.437SS..Iπ-helixtrans-72.7-47.8-168.7-82.6102.1000113L552 L553 E559 K560 I561L552-W557 PolarHBondContact O-N 3.44Å; L553-W557 PolarHBondContact O-N 2.93Å; W557-E559 VanDerWaalsContact C-N 3.34Å; W557-E559 PolarHBondContact O-N 2.96Å; W557-K560 PolarHBondContact O-N 2.9Å; W557-K560 VanDerWaalsContact O-N 3.16Å; W557-I561 HydrophobicContact CB-CD1 4.41Å; W557-I561 HydrophobicContact CE3-CD1 3.83Å; W557-I561 HydrophobicContact CE3-CG1 4.01Å; W557-I561 WeakPolarHBondContact O-CB 3.43Å; W557-I561 WeakPolarHBondContact O-CG1 3.38Å; W557-I561 PolarHBondContact O-N 3.2Å
558L97.5Very high97.1Very high91 Ų9180.5 Ų80.548%0.47643%0.428SS..Iπ-helixtrans-62.4-42.7179-70.4-177.6000111L553 I562 P563L553-L558 WeakPolarHBondContact O-CG 3.27Å; L553-L558 PolarHBondContact O-N 3.42Å; L558-I562 PolarHBondContact O-N 2.68Å; L558-P563 WeakPolarHBondContact O-CD 3.4Å
559E96.8Very high97Very high77 Ų7782.2 Ų82.236%0.3644%0.435SS..Hα-helixtrans-64.8-38.8172.7-72.1-164177.800113.1L555 W557 P563 K564L555-E559 WeakPolarHBondContact O-CG 3.39Å; W557-E559 VanDerWaalsContact C-N 3.34Å; W557-E559 PolarHBondContact O-N 2.96Å; E559-P563 HydrophobicContact CB-CG 4.45Å; E559-P563 WeakPolarHBondContact O-CD 3.5Å; E559-P563 VanDerWaalsContact O-CG 3.22Å; E559-P563 WeakPolarHBondContact O-CG 3.27Å; E559-K564 HydrophobicContact CB-CD 4.47Å; E559-K564 WeakPolarHBondContact O-CB 3.23Å; E559-K564 WeakPolarHBondContact O-CG 3.28Å; E559-K564 PolarHBondContact O-N 3.22Å; E559-K564 WeakPolarHBondContact OE2-CE 3.1Å; E559-K564 IonicContact OE2-NZ 3.7Å; E559-K564 PolarHBondContact OE2-NZ 2.82Å
560K96.8Very high97Very high113 Ų11385.7 Ų85.749%0.49144%0.444SS..Iπ-helixtrans-72.4-42.4-176.9-173.959.4176.1176.20111.8I556 W557 K564 S565I556-K560 WeakPolarHBondContact O-CB 3.33Å; I556-K560 PolarHBondContact O-N 3.16Å; W557-K560 PolarHBondContact O-N 2.9Å; W557-K560 VanDerWaalsContact O-N 3.16Å; K560-K564 HydrophobicContact CD-CB 4.18Å; K560-K564 HydrophobicContact CD-CD 4.36Å; K560-S565 WeakPolarHBondContact O-CB 3.22Å; K560-S565 PolarHBondContact O-N 2.99Å; K560-S565 VanDerWaalsContact O-N 3.13Å
561I97.2Very high96.9Very high97 Ų9784.8 Ų84.850%0.49744%0.442SS..Iπ-helixtrans-70.6-45.1-175.6-68.2166.9000111W557 S565W557-I561 HydrophobicContact CB-CD1 4.41Å; W557-I561 HydrophobicContact CE3-CD1 3.83Å; W557-I561 HydrophobicContact CE3-CG1 4.01Å; W557-I561 WeakPolarHBondContact O-CB 3.43Å; W557-I561 WeakPolarHBondContact O-CG1 3.38Å; W557-I561 PolarHBondContact O-N 3.2Å; I561-S565 WeakPolarHBondContact O-CB 3.29Å
562I96.8Very high96.8Very high108 Ų10886.7 Ų86.755%0.55445%0.451SS*.Iπ-helixtrans-96.2-80.3-171-56.3170.1000110.4L558 K564 S565 T566L558-I562 PolarHBondContact O-N 2.68Å; I562-K564 PolarHBondContact O-N 3.09Å; I562-S565 PolarHBondContact O-N 3.17Å; I562-T566 WeakPolarHBondContact O-CG2 3.49Å; I562-T566 PolarHBondContact O-N 2.78Å; I562-T566 PolarHBondContact O-OG1 2.9Å; I562-T566 VanDerWaalsContact O-OG1 3.06Å
563P96.9Very high96.6Very high69 Ų6988.7 Ų88.745%0.44846%0.459SS..Iπ-helixtrans-69.6-39.2-169.526.4-34.3000113.7L558 E559 T566 S567L558-P563 WeakPolarHBondContact O-CD 3.4Å; E559-P563 HydrophobicContact CB-CG 4.45Å; E559-P563 WeakPolarHBondContact O-CD 3.5Å; E559-P563 VanDerWaalsContact O-CG 3.22Å; E559-P563 WeakPolarHBondContact O-CG 3.27Å; P563-T566 PolarHBondContact O-OG1 3.4Å; P563-S567 VanDerWaalsContact O-CB 3.29Å; P563-S567 WeakPolarHBondContact O-CB 3.44Å; P563-S567 PolarHBondContact O-N 2.93Å; P563-S567 PolarHBondContact O-OG 3.32Å
564K96.3Very high96.5Very high89 Ų8988 Ų8839%0.38746%0.459SS..Iπ-helixtrans-74.1-35.4179.9-67.2174.4-177.2155.90111.6E559 K560 I562 S567 T568E559-K564 HydrophobicContact CB-CD 4.47Å; E559-K564 WeakPolarHBondContact O-CB 3.23Å; E559-K564 WeakPolarHBondContact O-CG 3.28Å; E559-K564 PolarHBondContact O-N 3.22Å; E559-K564 WeakPolarHBondContact OE2-CE 3.1Å; E559-K564 IonicContact OE2-NZ 3.7Å; E559-K564 PolarHBondContact OE2-NZ 2.82Å; K560-K564 HydrophobicContact CD-CB 4.18Å; K560-K564 HydrophobicContact CD-CD 4.36Å; I562-K564 PolarHBondContact O-N 3.09Å; K564-S567 WeakPolarHBondContact CA-OG 3.41Å; K564-S567 PolarHBondContact O-OG 3.09Å; K564-T568 WeakPolarHBondContact O-CB 3.49Å; K564-T568 WeakPolarHBondContact O-CG2 3.14Å; K564-T568 PolarHBondContact O-N 2.85Å; K564-T568 PolarHBondContact O-OG1 3.32Å
565S97.3Very high96.4Very high46 Ų4687.6 Ų87.632%0.32246%0.459SS..Hα-helixtrans-63.7-50.4175.3-171.60000110.5K560 I561 I562 S567 T568 L569K560-S565 WeakPolarHBondContact O-CB 3.22Å; K560-S565 PolarHBondContact O-N 2.99Å; K560-S565 VanDerWaalsContact O-N 3.13Å; I561-S565 WeakPolarHBondContact O-CB 3.29Å; I562-S565 PolarHBondContact O-N 3.17Å; S565-S567 PolarHBondContact O-N 2.99Å; S565-T568 PolarHBondContact O-N 3Å; S565-T568 PolarHBondContact O-OG1 2.71Å; S565-L569 WeakPolarHBondContact O-CB 3.22Å; S565-L569 WeakPolarHBondContact O-CG 3.13Å; S565-L569 PolarHBondContact O-N 3.01Å
566T96.9Very high96.2Very high67 Ų6789.9 Ų89.941%0.41147%0.471SS..Hα-helixtrans-61.3-43.6178.256.30000111.5I562 P563 T568 L569 H570I562-T566 WeakPolarHBondContact O-CG2 3.49Å; I562-T566 PolarHBondContact O-N 2.78Å; I562-T566 PolarHBondContact O-OG1 2.9Å; I562-T566 VanDerWaalsContact O-OG1 3.06Å; P563-T566 PolarHBondContact O-OG1 3.4Å; T566-T568 PolarHBondContact O-N 2.93Å; T566-L569 PolarHBondContact O-N 2.91Å; T566-H570 PolarHBondContact O-CD2 3.03Å; T566-H570 PolarHBondContact O-N 2.83Å
567S97.4Very high95.9Very high57 Ų5789.3 Ų89.340%0.39947%0.472SS..Hα-helixtrans-60.4-47.3176.377.40000111.1P563 K564 S565 L569 H570 T571P563-S567 VanDerWaalsContact O-CB 3.29Å; P563-S567 WeakPolarHBondContact O-CB 3.44Å; P563-S567 PolarHBondContact O-N 2.93Å; P563-S567 PolarHBondContact O-OG 3.32Å; K564-S567 WeakPolarHBondContact CA-OG 3.41Å; K564-S567 PolarHBondContact O-OG 3.09Å; S565-S567 PolarHBondContact O-N 2.99Å; S567-L569 PolarHBondContact O-N 2.95Å; S567-H570 PolarHBondContact O-N 2.82Å; S567-T571 VanDerWaalsContact O-CG2 3.28Å; S567-T571 WeakPolarHBondContact O-CG2 3.32Å; S567-T571 PolarHBondContact O-N 2.77Å; S567-T571 PolarHBondContact O-OG1 2.9Å; S567-T571 VanDerWaalsContact O-OG1 3.09Å
568T96.8Very high95.6Very high57 Ų5787.5 Ų87.535%0.3548%0.477SS..Hα-helixtrans-65.5-38.4-179.656.20000112.8K564 S565 T566 T571 N572K564-T568 WeakPolarHBondContact O-CB 3.49Å; K564-T568 WeakPolarHBondContact O-CG2 3.14Å; K564-T568 PolarHBondContact O-N 2.85Å; K564-T568 PolarHBondContact O-OG1 3.32Å; S565-T568 PolarHBondContact O-N 3Å; S565-T568 PolarHBondContact O-OG1 2.71Å; T566-T568 PolarHBondContact O-N 2.93Å; T568-T571 WeakPolarHBondContact CA-OG1 3.22Å; T568-T571 PolarHBondContact O-OG1 3.23Å; T568-N572 WeakPolarHBondContact O-CB 3.47Å; T568-N572 PolarHBondContact O-N 3.4Å; T568-N572 PolarHBondContact O-ND2 3.47Å; T568-N572 PolarHBondContact O-OD1 3.42Å
569L96.3Very high95.2Very high95 Ų9589.1 Ų89.150%0.49749%0.486SS..Hα-helixtrans-63.1-48.3175.1-76169.5000110.7S565 T566 S567 N572 M573S565-L569 WeakPolarHBondContact O-CB 3.22Å; S565-L569 WeakPolarHBondContact O-CG 3.13Å; S565-L569 PolarHBondContact O-N 3.01Å; T566-L569 PolarHBondContact O-N 2.91Å; S567-L569 PolarHBondContact O-N 2.95Å; L569-N572 PolarHBondContact O-N 2.93Å; L569-M573 WeakPolarHBondContact O-CB 3.05Å; L569-M573 VanDerWaalsContact O-CG 3.29Å; L569-M573 WeakPolarHBondContact O-CG 3.18Å; L569-M573 PolarHBondContact O-N 3.16Å
570H95.7Very high94.7Very high131 Ų13191.5 Ų91.561%0.60650%0.497SS*.Hα-helixtrans-63.5-44.8177.5-73.7-56.2000111.9T566 S567 N572 M573 T574T566-H570 PolarHBondContact O-CD2 3.03Å; T566-H570 PolarHBondContact O-N 2.83Å; S567-H570 PolarHBondContact O-N 2.82Å; H570-N572 VanDerWaalsContact C-N 3.32Å; H570-N572 PolarHBondContact O-N 3.02Å; H570-M573 PolarHBondContact O-N 3.26Å; H570-T574 VanDerWaalsContact O-CG2 3.31Å; H570-T574 WeakPolarHBondContact O-CG2 3.49Å; H570-T574 PolarHBondContact O-N 2.98Å; H570-T574 PolarHBondContact O-OG1 3.01Å
571T95.7Very high94.2Very high71 Ų7194.6 Ų94.644%0.43651%0.51SS..Hα-helixtrans-64.1-37.1178.156.10000112.3S567 T568 T574 T575S567-T571 VanDerWaalsContact O-CG2 3.28Å; S567-T571 WeakPolarHBondContact O-CG2 3.32Å; S567-T571 PolarHBondContact O-N 2.77Å; S567-T571 PolarHBondContact O-OG1 2.9Å; S567-T571 VanDerWaalsContact O-OG1 3.09Å; T568-T571 WeakPolarHBondContact CA-OG1 3.22Å; T568-T571 PolarHBondContact O-OG1 3.23Å; T571-T574 WeakPolarHBondContact CA-OG1 3.37Å; T571-T574 PolarHBondContact O-OG1 3.47Å; T571-T575 WeakPolarHBondContact O-CB 3.33Å; T571-T575 VanDerWaalsContact O-CG2 3.24Å; T571-T575 WeakPolarHBondContact O-CG2 3.28Å; T571-T575 PolarHBondContact O-N 3.15Å; T571-T575 PolarHBondContact O-OG1 2.89Å
572N95.1Very high93.8Very high91 Ų9192.4 Ų92.449%0.48751%0.511SS..Hα-helixtrans-68.9-41.3176.9-71-9.1000110.9T568 L569 H570 T575 L576T568-N572 WeakPolarHBondContact O-CB 3.47Å; T568-N572 PolarHBondContact O-N 3.4Å; T568-N572 PolarHBondContact O-ND2 3.47Å; T568-N572 PolarHBondContact O-OD1 3.42Å; L569-N572 PolarHBondContact O-N 2.93Å; H570-N572 VanDerWaalsContact C-N 3.32Å; H570-N572 PolarHBondContact O-N 3.02Å; N572-T575 WeakPolarHBondContact CA-OG1 3.31Å; N572-T575 PolarHBondContact O-OG1 3.5Å; N572-L576 WeakPolarHBondContact O-CB 3.46Å; N572-L576 WeakPolarHBondContact O-CD1 3.24Å; N572-L576 VanDerWaalsContact O-CG 3.26Å; N572-L576 WeakPolarHBondContact O-CG 3.26Å; N572-L576 PolarHBondContact O-N 3.36Å
573M94.6Very high93.5Very high118 Ų11891.7 Ų91.758%0.58151%0.509SS*.Hα-helixtrans-67.2-40.4175.6-69.6-62.1-179.800112.2L569 H570 L576 T577L569-M573 WeakPolarHBondContact O-CB 3.05Å; L569-M573 VanDerWaalsContact O-CG 3.29Å; L569-M573 WeakPolarHBondContact O-CG 3.18Å; L569-M573 PolarHBondContact O-N 3.16Å; H570-M573 PolarHBondContact O-N 3.26Å; M573-L576 PolarHBondContact O-N 3.42Å; M573-T577 WeakPolarHBondContact O-CB 3.49Å; M573-T577 VanDerWaalsContact O-CG2 3.28Å; M573-T577 WeakPolarHBondContact O-CG2 3.41Å; M573-T577 PolarHBondContact O-N 3.23Å; M573-T577 PolarHBondContact O-OG1 3.02Å
574T95.1Very high93.3Very high74 Ų7494 Ų9445%0.45452%0.516SS..Hα-helixtrans-64.3-47.4176.355.40000110.7H570 T571 L576 T577 T578H570-T574 VanDerWaalsContact O-CG2 3.31Å; H570-T574 WeakPolarHBondContact O-CG2 3.49Å; H570-T574 PolarHBondContact O-N 2.98Å; H570-T574 PolarHBondContact O-OG1 3.01Å; T571-T574 WeakPolarHBondContact CA-OG1 3.37Å; T571-T574 PolarHBondContact O-OG1 3.47Å; T574-L576 PolarHBondContact O-N 3.03Å; T574-T577 WeakPolarHBondContact CA-OG1 3.41Å; T574-T577 PolarHBondContact O-N 3.25Å; T574-T577 PolarHBondContact O-OG1 3.18Å; T574-T578 WeakPolarHBondContact O-CB 3.46Å; T574-T578 WeakPolarHBondContact O-CG2 3.43Å; T574-T578 PolarHBondContact O-N 3.19Å; T574-T578 PolarHBondContact O-OG1 2.68Å
575T93.5Very high93.1Very high65 Ų6597.4 Ų97.440%0.39953%0.531SS..Hα-helixtrans-62.2-41179.350.70000112.1T571 N572 N579T571-T575 WeakPolarHBondContact O-CB 3.33Å; T571-T575 VanDerWaalsContact O-CG2 3.24Å; T571-T575 WeakPolarHBondContact O-CG2 3.28Å; T571-T575 PolarHBondContact O-N 3.15Å; T571-T575 PolarHBondContact O-OG1 2.89Å; N572-T575 WeakPolarHBondContact CA-OG1 3.31Å; N572-T575 PolarHBondContact O-OG1 3.5Å; T575-N579 WeakPolarHBondContact O-CB 3.28Å; T575-N579 PolarHBondContact O-N 3.39Å; T575-N579 PolarHBondContact O-ND2 3.4Å; T575-N579 PolarHBondContact O-OD1 2.74Å
576L92.9Very high92.9Very high135 Ų135100 Ų10071%0.70754%0.54SS*.Hα-helixtrans-64-39.8175.6-74.4167.7000113N572 M573 T574N572-L576 WeakPolarHBondContact O-CB 3.46Å; N572-L576 WeakPolarHBondContact O-CD1 3.24Å; N572-L576 VanDerWaalsContact O-CG 3.26Å; N572-L576 WeakPolarHBondContact O-CG 3.26Å; N572-L576 PolarHBondContact O-N 3.36Å; M573-L576 PolarHBondContact O-N 3.42Å; T574-L576 PolarHBondContact O-N 3.03Å
577T90.4Very high92.6Very high87 Ų87100.8 Ų100.853%0.53454%0.536SS..Hα-helixtrans-79.1-39.2-17650.30000113.2M573 T574 Q580M573-T577 WeakPolarHBondContact O-CB 3.49Å; M573-T577 VanDerWaalsContact O-CG2 3.28Å; M573-T577 WeakPolarHBondContact O-CG2 3.41Å; M573-T577 PolarHBondContact O-N 3.23Å; M573-T577 PolarHBondContact O-OG1 3.02Å; T574-T577 WeakPolarHBondContact CA-OG1 3.41Å; T574-T577 PolarHBondContact O-N 3.25Å; T574-T577 PolarHBondContact O-OG1 3.18Å; T577-Q580 PolarHBondContact O-NE2 3.18Å
578T91.1Very high92.4Very high100 Ų100104.6 Ų104.661%0.61355%0.546SS*.Hα-helixtrans-88.5-9.9-174.564.10000114.2T574 Q580T574-T578 WeakPolarHBondContact O-CB 3.46Å; T574-T578 WeakPolarHBondContact O-CG2 3.43Å; T574-T578 PolarHBondContact O-N 3.19Å; T574-T578 PolarHBondContact O-OG1 2.68Å; T578-Q580 PolarHBondContact O-N 3.41Å
579N89.5Confident92.2Very high125 Ų125107 Ų10767%0.66855%0.554SS**  trans-74.548.4178.9-78.8-7.5000113.2T575T575-N579 WeakPolarHBondContact O-CB 3.28Å; T575-N579 PolarHBondContact O-N 3.39Å; T575-N579 PolarHBondContact O-ND2 3.4Å; T575-N579 PolarHBondContact O-OD1 2.74Å
580Q86.8Confident92Very high126 Ų126104.9 Ų104.959%0.58955%0.547SS*.  trans-90.1135.1177.5-60.3177.33.100110.2T577 T578 G582 Y587T577-Q580 PolarHBondContact O-NE2 3.18Å; T578-Q580 PolarHBondContact O-N 3.41Å; Q580-G582 VanDerWaalsContact C-N 3.3Å; Q580-G582 PolarHBondContact O-N 3.46Å; Q580-Y587 HydrophobicContact CB-CE1 4.4Å; Q580-Y587 PolarHBondContact OE1-OH 3.04Å
581K86.3Confident92Very high178 Ų178104.5 Ų104.577%0.77454%0.544SS*.  trans-83.75.6-174.8-63.9-176.9179.1179.10114.7L583K581-L583 VanDerWaalsContact C-N 3.26Å; K581-L583 HydrophobicContact CB-CD1 4.25Å; K581-L583 HydrophobicContact CB-CG 4.29Å; K581-L583 PolarHBondContact O-N 3.41Å
582G87.9Confident91.9Very high51 Ų51105.5 Ų105.553%0.52655%0.547SS..  trans68.715.8-179.600000115.6Q580Q580-G582 VanDerWaalsContact C-N 3.3Å; Q580-G582 PolarHBondContact O-N 3.46Å
583L91.8Very high91.8Very high94 Ų94105.7 Ų105.749%0.49255%0.547SS..  trans-89.6114.8-176.9-64.4171.4000111.4K581 K585 L586 Y587K581-L583 VanDerWaalsContact C-N 3.26Å; K581-L583 HydrophobicContact CB-CD1 4.25Å; K581-L583 HydrophobicContact CB-CG 4.29Å; K581-L583 PolarHBondContact O-N 3.41Å; L583-K585 PolarHBondContact O-N 3.24Å; L583-K585 VanDerWaalsContact O-N 3.13Å; L583-L586 HydrophobicContact CB-CD1 4.16Å; L583-L586 HydrophobicContact CB-CG 4.24Å; L583-L586 HydrophobicContact CD1-CD1 4.07Å; L583-L586 PolarHBondContact O-N 3.13Å; L583-Y587 PolarHBondContact O-N 3.35Å
584I91.7Very high91.8Very high116 Ų116104 Ų10460%0.59554%0.54SS*.Hα-helixtrans-52.7-37.5179.6-61.1165.2000112.3L586 Y587 F588I584-L586 VanDerWaalsContact C-N 3.31Å; I584-L586 PolarHBondContact O-N 3.38Å; I584-Y587 PolarHBondContact O-N 3.25Å; I584-F588 HydrophobicContact CG2-CD2 3.61Å; I584-F588 HydrophobicContact CG2-CE2 3.3Å; I584-F588 HydrophobicContact CG2-CZ 4.14Å; I584-F588 PolarHBondContact O-N 2.93Å
585K92.3Very high91.7Very high162 Ų162106.1 Ų106.170%0.70455%0.547SS*.Hα-helixtrans-56.1-41.6176.9-176.2177.8179.4178.90112.8L583 M589L583-K585 PolarHBondContact O-N 3.24Å; L583-K585 VanDerWaalsContact O-N 3.13Å; K585-M589 WeakPolarHBondContact O-CG 3.42Å; K585-M589 PolarHBondContact O-N 3.42Å
586L92.1Very high91.7Very high99 Ų99107.1 Ų107.152%0.51855%0.549SS..Hα-helixtrans-71.9-37.3179.8-65.9175.7000111.2L583 I584 M589 S590L583-L586 HydrophobicContact CB-CD1 4.16Å; L583-L586 HydrophobicContact CB-CG 4.24Å; L583-L586 HydrophobicContact CD1-CD1 4.07Å; L583-L586 PolarHBondContact O-N 3.13Å; I584-L586 VanDerWaalsContact C-N 3.31Å; I584-L586 PolarHBondContact O-N 3.38Å; L586-M589 PolarHBondContact O-N 2.69Å; L586-S590 PolarHBondContact O-N 2.97Å
587Y92Very high91.8Very high84 Ų84105.4 Ų105.433%0.32954%0.54SS..Hα-helixtrans-64.1-45176.3-62.2-44.8000112.2Q580 L583 I584 M589 S590 F591Q580-Y587 HydrophobicContact CB-CE1 4.4Å; Q580-Y587 PolarHBondContact OE1-OH 3.04Å; L583-Y587 PolarHBondContact O-N 3.35Å; I584-Y587 PolarHBondContact O-N 3.25Å; Y587-M589 VanDerWaalsContact C-N 3.34Å; Y587-M589 PolarHBondContact O-N 3.46Å; Y587-S590 PolarHBondContact O-N 2.85Å; Y587-S590 VanDerWaalsContact O-N 3.15Å; Y587-S590 PolarHBondContact O-OG 3.28Å; Y587-F591 VanDerWaalsContact O-CD2 3.31Å; Y587-F591 WeakPolarHBondContact O-CD2 3.42Å; Y587-F591 PolarHBondContact O-N 2.87Å
588F92.5Very high92Very high138 Ų138107 Ų10761%0.60554%0.544SS*.Hα-helixtrans-62.7-38.4175.3-75.3-47.9000113.1I584 S590 F591 L592I584-F588 HydrophobicContact CG2-CD2 3.61Å; I584-F588 HydrophobicContact CG2-CE2 3.3Å; I584-F588 HydrophobicContact CG2-CZ 4.14Å; I584-F588 PolarHBondContact O-N 2.93Å; F588-S590 VanDerWaalsContact C-N 3.33Å; F588-S590 PolarHBondContact O-N 2.93Å; F588-F591 PolarHBondContact O-N 2.98Å; F588-L592 PolarHBondContact O-N 2.87Å
589M93.3Very high91.9Very high107 Ų107104.9 Ų104.953%0.52754%0.537SS..Hα-helixtrans-61.7-40.2173.4-72.5-61.7-169.700112K585 L586 Y587 L592 I593K585-M589 WeakPolarHBondContact O-CG 3.42Å; K585-M589 PolarHBondContact O-N 3.42Å; L586-M589 PolarHBondContact O-N 2.69Å; Y587-M589 VanDerWaalsContact C-N 3.34Å; Y587-M589 PolarHBondContact O-N 3.46Å; M589-L592 PolarHBondContact O-N 3.38Å; M589-I593 WeakPolarHBondContact O-CG1 3.37Å; M589-I593 PolarHBondContact O-N 3.04Å; M589-I593 VanDerWaalsContact O-N 3.11Å
590S92.6Very high92Very high50 Ų50102.8 Ų102.835%0.3553%0.525SS..Hα-helixtrans-66-38.8175.671.90000113.2L586 Y587 F588 I593 N594L586-S590 PolarHBondContact O-N 2.97Å; Y587-S590 PolarHBondContact O-N 2.85Å; Y587-S590 VanDerWaalsContact O-N 3.15Å; Y587-S590 PolarHBondContact O-OG 3.28Å; F588-S590 VanDerWaalsContact C-N 3.33Å; F588-S590 PolarHBondContact O-N 2.93Å; S590-I593 PolarHBondContact O-N 3.1Å; S590-N594 PolarHBondContact O-N 3.33Å
591F93.8Very high92.3Very high124 Ų124101.9 Ų101.954%0.54452%0.524SS..Hα-helixtrans-64.8-39.7174.7-78.2-56.2000112.2Y587 F588 N594 I595Y587-F591 VanDerWaalsContact O-CD2 3.31Å; Y587-F591 WeakPolarHBondContact O-CD2 3.42Å; Y587-F591 PolarHBondContact O-N 2.87Å; F588-F591 PolarHBondContact O-N 2.98Å; F591-N594 PolarHBondContact O-N 2.89Å; F591-I595 WeakPolarHBondContact O-CG1 3.41Å; F591-I595 PolarHBondContact O-N 3.26Å
592L94Very high92.5Very high92 Ų92100.9 Ų100.948%0.48252%0.516SS..Hα-helixtrans-61.9-44.2175.9-176.9149.6000111.5F588 M589 N594 I595 I596F588-L592 PolarHBondContact O-N 2.87Å; M589-L592 PolarHBondContact O-N 3.38Å; L592-N594 VanDerWaalsContact C-N 3.33Å; L592-N594 PolarHBondContact O-N 3.49Å; L592-I595 PolarHBondContact O-N 2.82Å; L592-I596 HydrophobicContact CD2-CD1 3.5Å; L592-I596 VanDerWaalsContact CD2-CD1 3.5Å; L592-I596 HydrophobicContact CD2-CG1 4.38Å; L592-I596 HydrophobicContact CG-CD1 4.4Å; L592-I596 WeakPolarHBondContact O-CG1 3.14Å; L592-I596 PolarHBondContact O-N 3.08Å
593I94.6Very high92.5Very high95 Ų95101.7 Ų101.749%0.48751%0.513SS..Hα-helixtrans-59.3-44.5175-67.9166.5000110.7M589 S590 I595 I596 L597M589-I593 WeakPolarHBondContact O-CG1 3.37Å; M589-I593 PolarHBondContact O-N 3.04Å; M589-I593 VanDerWaalsContact O-N 3.11Å; S590-I593 PolarHBondContact O-N 3.1Å; I593-I595 PolarHBondContact O-N 3.28Å; I593-I596 PolarHBondContact O-N 2.97Å; I593-L597 HydrophobicContact CG2-CD1 3.85Å; I593-L597 HydrophobicContact CG2-CG 4.32Å; I593-L597 WeakPolarHBondContact O-CB 3.46Å; I593-L597 WeakPolarHBondContact O-CG 3.44Å; I593-L597 PolarHBondContact O-N 3.05Å
594N94.5Very high92.2Very high82 Ų82102.2 Ų102.244%0.43952%0.516SS..Hα-helixtrans-62.5-41.4178-71.9-14.1000112.6S590 F591 L592 L597 I598S590-N594 PolarHBondContact O-N 3.33Å; F591-N594 PolarHBondContact O-N 2.89Å; L592-N594 VanDerWaalsContact C-N 3.33Å; L592-N594 PolarHBondContact O-N 3.49Å; N594-L597 PolarHBondContact O-N 2.95Å; N594-I598 WeakPolarHBondContact O-CB 3.47Å; N594-I598 WeakPolarHBondContact O-CD1 3.36Å; N594-I598 VanDerWaalsContact O-CG1 3.22Å; N594-I598 WeakPolarHBondContact O-CG1 3.44Å; N594-I598 PolarHBondContact O-N 3.43Å
595I92.9Very high91.7Very high119 Ų119102.2 Ų102.261%0.6152%0.517SS*.Hα-helixtrans-61.9-45.1176.9-68.7165.1000110.7F591 L592 I593 I598 A599F591-I595 WeakPolarHBondContact O-CG1 3.41Å; F591-I595 PolarHBondContact O-N 3.26Å; L592-I595 PolarHBondContact O-N 2.82Å; I593-I595 PolarHBondContact O-N 3.28Å; I595-I598 PolarHBondContact O-N 3.11Å; I595-A599 WeakPolarHBondContact O-CB 3.45Å; I595-A599 PolarHBondContact O-N 2.8Å
596I93.8Very high90.6Very high86 Ų86100.1 Ų100.144%0.44151%0.513SS..Hα-helixtrans-61.5-47.1176.8-68.1173.6000110.5L592 I593 I598 A599 I600L592-I596 HydrophobicContact CD2-CD1 3.5Å; L592-I596 VanDerWaalsContact CD2-CD1 3.5Å; L592-I596 HydrophobicContact CD2-CG1 4.38Å; L592-I596 HydrophobicContact CG-CD1 4.4Å; L592-I596 WeakPolarHBondContact O-CG1 3.14Å; L592-I596 PolarHBondContact O-N 3.08Å; I593-I596 PolarHBondContact O-N 2.97Å; I596-I598 VanDerWaalsContact C-N 3.35Å; I596-I598 PolarHBondContact O-N 3.47Å; I596-A599 PolarHBondContact O-N 3.38Å; I596-I600 HydrophobicContact CG2-CD1 3.56Å; I596-I600 HydrophobicContact CG2-CG1 4.29Å; I596-I600 WeakPolarHBondContact O-CB 3.19Å; I596-I600 VanDerWaalsContact O-CG1 3.25Å; I596-I600 WeakPolarHBondContact O-CG1 3.39Å; I596-I600 PolarHBondContact O-N 3.3Å
597L94.1Very high88.7Confident99 Ų99106.1 Ų106.152%0.51854%0.538SS..Hα-helixtrans-61.1-41.6178.7-74.3171.9000112.2I593 N594 I600 L601I593-L597 HydrophobicContact CG2-CD1 3.85Å; I593-L597 HydrophobicContact CG2-CG 4.32Å; I593-L597 WeakPolarHBondContact O-CB 3.46Å; I593-L597 WeakPolarHBondContact O-CG 3.44Å; I593-L597 PolarHBondContact O-N 3.05Å; N594-L597 PolarHBondContact O-N 2.95Å; L597-I600 PolarHBondContact O-N 3.18Å; L597-L601 VanDerWaalsContact O-CB 3.26Å; L597-L601 WeakPolarHBondContact O-CB 3.29Å; L597-L601 PolarHBondContact O-N 3.13Å
598I93.7Very high88.5Confident119 Ų119107.3 Ų107.361%0.6155%0.549SS*.Hα-helixtrans-64.7-43.8177.2-69.8164.3000110.8N594 I595 I596 L601 Y602N594-I598 WeakPolarHBondContact O-CB 3.47Å; N594-I598 WeakPolarHBondContact O-CD1 3.36Å; N594-I598 VanDerWaalsContact O-CG1 3.22Å; N594-I598 WeakPolarHBondContact O-CG1 3.44Å; N594-I598 PolarHBondContact O-N 3.43Å; I595-I598 PolarHBondContact O-N 3.11Å; I596-I598 VanDerWaalsContact C-N 3.35Å; I596-I598 PolarHBondContact O-N 3.47Å; I598-L601 PolarHBondContact O-N 3.43Å; I598-Y602 WeakPolarHBondContact O-CB 3.14Å; I598-Y602 PolarHBondContact O-N 3.36Å
599A90.2Very high88.3Confident57 Ų57105.6 Ų105.647%0.47155%0.546SS..Hα-helixtrans-63.7-43.5177.900000111.9I595 I596 Y602 S603I595-A599 WeakPolarHBondContact O-CB 3.45Å; I595-A599 PolarHBondContact O-N 2.8Å; I596-A599 PolarHBondContact O-N 3.38Å; A599-Y602 PolarHBondContact O-N 3.11Å; A599-S603 PolarHBondContact O-N 2.69Å; A599-S603 PolarHBondContact O-OG 3.05Å
600I91.4Very high88.1Confident80 Ų80105.6 Ų105.641%0.4155%0.547SS..Hα-helixtrans-61.5-49174.9-68.7168.3000110.3I596 L597 Y602 S603 I604I596-I600 HydrophobicContact CG2-CD1 3.56Å; I596-I600 HydrophobicContact CG2-CG1 4.29Å; I596-I600 WeakPolarHBondContact O-CB 3.19Å; I596-I600 VanDerWaalsContact O-CG1 3.25Å; I596-I600 WeakPolarHBondContact O-CG1 3.39Å; I596-I600 PolarHBondContact O-N 3.3Å; L597-I600 PolarHBondContact O-N 3.18Å; I600-Y602 VanDerWaalsContact C-N 3.28Å; I600-Y602 PolarHBondContact O-N 3.36Å; I600-S603 WeakPolarHBondContact CA-OG 3.42Å; I600-S603 PolarHBondContact O-N 3.33Å; I600-S603 VanDerWaalsContact O-N 3.17Å; I600-S603 PolarHBondContact O-OG 2.98Å; I600-I604 HydrophobicContact CG2-CD1 3.57Å; I600-I604 HydrophobicContact CG2-CG1 4.31Å; I600-I604 WeakPolarHBondContact O-CG1 3.38Å; I600-I604 PolarHBondContact O-N 3.3Å
601L93.3Very high87.8Confident108 Ų108108.8 Ų108.857%0.56556%0.559SS**Hα-helixtrans-59.8-40.5179.2-164.2105000111.6L597 I598 I604 N605L597-L601 VanDerWaalsContact O-CB 3.26Å; L597-L601 WeakPolarHBondContact O-CB 3.29Å; L597-L601 PolarHBondContact O-N 3.13Å; I598-L601 PolarHBondContact O-N 3.43Å; L601-I604 PolarHBondContact O-N 2.8Å; L601-N605 VanDerWaalsContact O-CB 3.3Å; L601-N605 WeakPolarHBondContact O-CB 3.49Å; L601-N605 PolarHBondContact O-N 3.29Å
602Y90.7Very high87.4Confident157 Ų157107.9 Ų107.962%0.61656%0.559SS**Hα-helixtrans-64.5-44.3175.8-176.2-110.7000111.6I598 A599 I600 I604 N605 L606I598-Y602 WeakPolarHBondContact O-CB 3.14Å; I598-Y602 PolarHBondContact O-N 3.36Å; A599-Y602 PolarHBondContact O-N 3.11Å; I600-Y602 VanDerWaalsContact C-N 3.28Å; I600-Y602 PolarHBondContact O-N 3.36Å; Y602-I604 PolarHBondContact O-N 2.89Å; Y602-N605 PolarHBondContact O-N 3.3Å; Y602-L606 HydrophobicContact CD1-CD1 3.51Å; Y602-L606 HydrophobicContact CD2-CD1 4.07Å; Y602-L606 HydrophobicContact CE1-CD1 3.13Å; Y602-L606 HydrophobicContact CE1-CG 4.42Å; Y602-L606 HydrophobicContact CE2-CD1 3.73Å; Y602-L606 HydrophobicContact CE2-CG 4.28Å; Y602-L606 HydrophobicContact CG-CD1 3.97Å; Y602-L606 WeakPolarHBondContact O-CB 3.32Å; Y602-L606 WeakPolarHBondContact O-CD1 3.38Å; Y602-L606 PolarHBondContact O-N 3.18Å; Y602-L606 VanDerWaalsContact O-N 3.17Å
603S86.4Confident87Confident67 Ų67108.9 Ų108.947%0.46957%0.565SS.*Hα-helixtrans-64.8-37.6176.961.90000113.4A599 I600A599-S603 PolarHBondContact O-N 2.69Å; A599-S603 PolarHBondContact O-OG 3.05Å; I600-S603 WeakPolarHBondContact CA-OG 3.42Å; I600-S603 PolarHBondContact O-N 3.33Å; I600-S603 VanDerWaalsContact O-N 3.17Å; I600-S603 PolarHBondContact O-OG 2.98Å
604I86.1Confident86.4Confident105 Ų105109.9 Ų109.954%0.53857%0.57SS.*Hα-helixtrans-71.7-36.3177.3-66.6169.1000111.4I600 L601 Y602I600-I604 HydrophobicContact CG2-CD1 3.57Å; I600-I604 HydrophobicContact CG2-CG1 4.31Å; I600-I604 WeakPolarHBondContact O-CG1 3.38Å; I600-I604 PolarHBondContact O-N 3.3Å; L601-I604 PolarHBondContact O-N 2.8Å; Y602-I604 PolarHBondContact O-N 2.89Å
605N81.6Confident85.8Confident117 Ų117112.1 Ų112.163%0.62658%0.58SS**Hα-helixtrans-80.7-12.1-178.8-80.5-9.2000114.4L601 Y602L601-N605 VanDerWaalsContact O-CB 3.3Å; L601-N605 WeakPolarHBondContact O-CB 3.49Å; L601-N605 PolarHBondContact O-N 3.29Å; Y602-N605 PolarHBondContact O-N 3.3Å
606L69.3Low85.2Confident118 Ų118111.5 Ų111.562%0.61858%0.578SS**THydrogen-bonded Turntrans-87.6-14.9176.3-88.4158.5000112.9Y602Y602-L606 HydrophobicContact CD1-CD1 3.51Å; Y602-L606 HydrophobicContact CD2-CD1 4.07Å; Y602-L606 HydrophobicContact CE1-CD1 3.13Å; Y602-L606 HydrophobicContact CE1-CG 4.42Å; Y602-L606 HydrophobicContact CE2-CD1 3.73Å; Y602-L606 HydrophobicContact CE2-CG 4.28Å; Y602-L606 HydrophobicContact CG-CD1 3.97Å; Y602-L606 WeakPolarHBondContact O-CB 3.32Å; Y602-L606 WeakPolarHBondContact O-CD1 3.38Å; Y602-L606 PolarHBondContact O-N 3.18Å; Y602-L606 VanDerWaalsContact O-N 3.17Å
607E52.1Low84.4Confident225 Ų225113.8 Ų113.8100%1.05159%0.59SS**  trans-84.10156.4-68-174.9166.800109.6

Retrieved 607 of 607 residues in 155.9 ms (Link to these results)

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