A0A096NR54_PAPAN Loading...

Claudin

Claudins function as major constituents of the tight junction complexes that regulate the permeability of epithelia.

AlphaFold DB (A0A2K5M176), UniProt , Accession A0A096NR54, Species PAPAN (Papio anubis, Olive baboon), Gene CLDN15, Length 228 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
1M65.6Low88.8Confident60 Ų6065 Ų6530%0.29635%0.353SS..  0126.20176157.462.200109.9E6 A117 T182M1-E6 HydrophobicContact CE-CB 4.32Å; M1-E6 HydrophobicContact CE-CG 3.91Å; M1-E6 HydrophobicContact CG-CB 4.01Å; M1-E6 HydrophobicContact SD-CB 3.92Å; M1-E6 HydrophobicContact SD-CG 4.1Å; M1-A117 HydrophobicContact CE-CB 4.38Å; M1-T182 WeakPolarHBondContact CB-OG1 3.25Å; M1-T182 WeakPolarHBondContact CE-OG1 3.3Å; M1-T182 PolarHBondContact SD-OG1 3Å; M1-T182 VanDerWaalsContact SD-OG1 3.41Å
2S81.7Confident89.6Confident74 Ų7462.3 Ų62.352%0.51734%0.338SS..  trans-75.8144172.5176.50000109.6A4 V5 E6S2-A4 PolarHBondContact O-N 2.97Å; S2-A4 VanDerWaalsContact O-N 3.16Å; S2-V5 PolarHBondContact O-N 3.23Å; S2-V5 VanDerWaalsContact O-N 3.1Å; S2-E6 PolarHBondContact O-N 3.28Å
3M84.9Confident90.2Very high126 Ų12657.5 Ų57.562%0.62131%0.312SS*.Hα-helixtrans-54.3-34.9177.3-66.4-170.1-66.300111.7V5 E6 T7M3-V5 PolarHBondContact O-N 3.22Å; M3-E6 PolarHBondContact O-N 3.15Å; M3-T7 WeakPolarHBondContact O-CB 3.32Å; M3-T7 PolarHBondContact O-N 3.02Å; M3-T7 PolarHBondContact O-OG1 3.24Å
4A88.6Confident90.8Very high68 Ų6855.4 Ų55.456%0.56231%0.305SS*.Hα-helixtrans-61.2-44.4178.500000112.9S2 F8S2-A4 PolarHBondContact O-N 2.97Å; S2-A4 VanDerWaalsContact O-N 3.16Å; A4-F8 WeakPolarHBondContact O-CB 3.15Å; A4-F8 PolarHBondContact O-N 3.49Å
5V90.7Very high91.3Very high60 Ų6056.3 Ų56.336%0.36431%0.313SS..Hα-helixtrans-69.6-39.1-179.1177.60000111S2 M3 G9 C178S2-V5 PolarHBondContact O-N 3.23Å; S2-V5 VanDerWaalsContact O-N 3.1Å; M3-V5 PolarHBondContact O-N 3.22Å; V5-G9 PolarHBondContact O-N 3.19Å; V5-C178 HydrophobicContact CG1-CB 4.06Å
6E91.1Very high91.7Very high5 Ų552.8 Ų52.82%0.02329%0.294CS..Hα-helixtrans-63-50.2177.8-167.1-176.6127.300111.1M1 S2 M3 G9 F10 L100 R101 L179M1-E6 HydrophobicContact CE-CB 4.32Å; M1-E6 HydrophobicContact CE-CG 3.91Å; M1-E6 HydrophobicContact CG-CB 4.01Å; M1-E6 HydrophobicContact SD-CB 3.92Å; M1-E6 HydrophobicContact SD-CG 4.1Å; S2-E6 PolarHBondContact O-N 3.28Å; M3-E6 PolarHBondContact O-N 3.15Å; E6-G9 PolarHBondContact O-N 3.27Å; E6-F10 WeakPolarHBondContact O-CB 3.39Å; E6-F10 PolarHBondContact O-N 3.26Å; E6-L100 HydrophobicContact CG-CD2 4.04Å; E6-L100 VanDerWaalsContact OE1-CA 3.29Å; E6-L100 WeakPolarHBondContact OE1-CA 3.46Å; E6-R101 PolarHBondContact OE1-N 2.87Å; E6-R101 IonicContact OE2-NE 3.34Å; E6-R101 PolarHBondContact OE2-NE 3.37Å; E6-L179 HydrophobicContact CG-CD2 4.4Å; E6-L179 WeakPolarHBondContact O-CD2 3.14Å
7T92.1Very high92.1Very high53 Ų5350.3 Ų50.333%0.32528%0.279SS..Hα-helixtrans-65.2-44.7178.5-57.40000111.8M3 F10 F11M3-T7 WeakPolarHBondContact O-CB 3.32Å; M3-T7 PolarHBondContact O-N 3.02Å; M3-T7 PolarHBondContact O-OG1 3.24Å; T7-F10 PolarHBondContact O-N 3.13Å; T7-F11 HydrophobicContact CG2-CD2 3.7Å; T7-F11 HydrophobicContact CG2-CE2 3.45Å; T7-F11 VanDerWaalsContact CG2-CE2 3.45Å; T7-F11 WeakPolarHBondContact O-CD2 3.47Å; T7-F11 PolarHBondContact O-N 3.1Å
8F94.3Very high92.5Very high124 Ų12454.3 Ų54.354%0.54430%0.299SS..Hα-helixtrans-60.9-47176.8177-106.2000112A4 F10 F11 M12A4-F8 WeakPolarHBondContact O-CB 3.15Å; A4-F8 PolarHBondContact O-N 3.49Å; F8-F10 VanDerWaalsContact C-N 3.34Å; F8-F10 PolarHBondContact O-N 3.2Å; F8-F11 PolarHBondContact O-N 3.39Å; F8-M12 HydrophobicContact CD1-SD 4Å; F8-M12 HydrophobicContact CE1-CG 4.09Å; F8-M12 HydrophobicContact CE1-SD 3.21Å; F8-M12 WeakPolarHBondContact CE1-SD 3.45Å; F8-M12 HydrophobicContact CE2-CG 4.19Å; F8-M12 HydrophobicContact CE2-SD 4.17Å; F8-M12 HydrophobicContact CZ-CG 3.92Å; F8-M12 HydrophobicContact CZ-SD 3.32Å; F8-M12 WeakPolarHBondContact CZ-SD 3.21Å; F8-M12 PolarHBondContact O-N 2.93Å
9G95.3Very high92.8Very high0 Ų053.6 Ų53.60%030%0.295CS..Hα-helixtrans-60.2-42.2177.200000112.7V5 E6 M12 A13 G175V5-G9 PolarHBondContact O-N 3.19Å; E6-G9 PolarHBondContact O-N 3.27Å; G9-M12 PolarHBondContact O-N 3.02Å; G9-A13 VanDerWaalsContact O-CB 3.27Å; G9-A13 WeakPolarHBondContact O-CB 3.29Å; G9-A13 PolarHBondContact O-N 3.16Å; G9-G175 WeakPolarHBondContact O-CA 3.46Å
10F96.1Very high93Very high21 Ų2151 Ų519%0.09228%0.28CS..Hα-helixtrans-60.3-48.8175.4176.8-98.2000112.4E6 T7 F8 A13 A14 L93 I97 L100 L179E6-F10 WeakPolarHBondContact O-CB 3.39Å; E6-F10 PolarHBondContact O-N 3.26Å; T7-F10 PolarHBondContact O-N 3.13Å; F8-F10 VanDerWaalsContact C-N 3.34Å; F8-F10 PolarHBondContact O-N 3.2Å; F10-A13 PolarHBondContact O-N 3.41Å; F10-A14 WeakPolarHBondContact O-CB 2.97Å; F10-A14 PolarHBondContact O-N 3.34Å; F10-L93 HydrophobicContact CE2-CD1 3.71Å; F10-L93 HydrophobicContact CZ-CD1 3.63Å; F10-I97 HydrophobicContact CE2-CG1 3.92Å; F10-I97 HydrophobicContact CZ-CD1 4.49Å; F10-I97 HydrophobicContact CZ-CG1 3.61Å; F10-L100 HydrophobicContact CB-CD2 4.23Å; F10-L100 HydrophobicContact CD1-CD1 3.93Å; F10-L100 HydrophobicContact CD2-CD1 4.06Å; F10-L100 HydrophobicContact CD2-CG 4.47Å; F10-L100 HydrophobicContact CE1-CD1 4.07Å; F10-L100 HydrophobicContact CE2-CD1 4.2Å; F10-L100 HydrophobicContact CG-CD1 3.92Å; F10-L100 HydrophobicContact CG-CD2 4.4Å; F10-L100 HydrophobicContact CG-CG 4.46Å; F10-L100 HydrophobicContact CZ-CD1 4.21Å; F10-L179 HydrophobicContact CB-CD2 4.24Å
11F97Very high93.3Very high124 Ų12450 Ų5054%0.54428%0.282SS..Hα-helixtrans-66.6-40.2179.3-78.1-65.4000112.4T7 F8 A13 A14 V15T7-F11 HydrophobicContact CG2-CD2 3.7Å; T7-F11 HydrophobicContact CG2-CE2 3.45Å; T7-F11 VanDerWaalsContact CG2-CE2 3.45Å; T7-F11 WeakPolarHBondContact O-CD2 3.47Å; T7-F11 PolarHBondContact O-N 3.1Å; F8-F11 PolarHBondContact O-N 3.39Å; F11-A13 VanDerWaalsContact C-N 3.34Å; F11-A13 PolarHBondContact O-N 3.19Å; F11-A14 PolarHBondContact O-N 3.29Å; F11-V15 WeakPolarHBondContact O-CG2 3.48Å; F11-V15 PolarHBondContact O-N 3.34Å
12M97.6Very high94.8Very high33 Ų3350.8 Ų50.816%0.16329%0.29CS..Hα-helixtrans-56.9-49.8171.8-82.7-168.463.500111.2F8 G9 A14 V15 G16 I171 L174F8-M12 HydrophobicContact CD1-SD 4Å; F8-M12 HydrophobicContact CE1-CG 4.09Å; F8-M12 HydrophobicContact CE1-SD 3.21Å; F8-M12 WeakPolarHBondContact CE1-SD 3.45Å; F8-M12 HydrophobicContact CE2-CG 4.19Å; F8-M12 HydrophobicContact CE2-SD 4.17Å; F8-M12 HydrophobicContact CZ-CG 3.92Å; F8-M12 HydrophobicContact CZ-SD 3.32Å; F8-M12 WeakPolarHBondContact CZ-SD 3.21Å; F8-M12 PolarHBondContact O-N 2.93Å; G9-M12 PolarHBondContact O-N 3.02Å; M12-A14 VanDerWaalsContact C-N 3.3Å; M12-A14 PolarHBondContact O-N 2.99Å; M12-V15 PolarHBondContact O-N 2.87Å; M12-G16 PolarHBondContact O-N 3.45Å; M12-I171 HydrophobicContact CB-CG2 4.22Å; M12-I171 HydrophobicContact CE-CB 4.46Å; M12-I171 HydrophobicContact CE-CG2 4.08Å; M12-I171 WeakPolarHBondContact O-CG2 3.2Å; M12-L174 HydrophobicContact CE-CB 3.47Å; M12-L174 VanDerWaalsContact CE-CB 3.47Å; M12-L174 HydrophobicContact CE-CD1 4.16Å; M12-L174 HydrophobicContact CE-CG 4.48Å
13A97.5Very high95.6Very high0 Ų047.3 Ų47.30%027%0.265CS..Hα-helixtrans-60.9-38.318000000112.6G9 F10 F11 G16 L17 H124 L179G9-A13 VanDerWaalsContact O-CB 3.27Å; G9-A13 WeakPolarHBondContact O-CB 3.29Å; G9-A13 PolarHBondContact O-N 3.16Å; F10-A13 PolarHBondContact O-N 3.41Å; F11-A13 VanDerWaalsContact C-N 3.34Å; F11-A13 PolarHBondContact O-N 3.19Å; A13-G16 PolarHBondContact O-N 3.5Å; A13-L17 PolarHBondContact O-N 3.48Å; A13-H124 HydrophobicContact CB-CB 4.22Å; A13-L179 HydrophobicContact CB-CD1 4.37Å
14A98.2Very high96.1Very high27 Ų2742.5 Ų42.522%0.22324%0.242CC..Hα-helixtrans-66.3-43.2174.600000112.6F10 F11 M12 G16 L17 L18 L93F10-A14 WeakPolarHBondContact O-CB 2.97Å; F10-A14 PolarHBondContact O-N 3.34Å; F11-A14 PolarHBondContact O-N 3.29Å; M12-A14 VanDerWaalsContact C-N 3.3Å; M12-A14 PolarHBondContact O-N 2.99Å; A14-G16 VanDerWaalsContact C-N 3.34Å; A14-L17 PolarHBondContact O-N 2.87Å; A14-L18 PolarHBondContact O-N 3.34Å; A14-L93 HydrophobicContact CB-CD1 3.83Å
15V98.5Very high96.5Very high70 Ų7042.8 Ų42.842%0.42424%0.238SC..Hα-helixtrans-63-42.8174.7170.70000110.6F11 M12 L17 L18 M19F11-V15 WeakPolarHBondContact O-CG2 3.48Å; F11-V15 PolarHBondContact O-N 3.34Å; M12-V15 PolarHBondContact O-N 2.87Å; V15-L17 PolarHBondContact O-N 2.69Å; V15-L18 WeakPolarHBondContact O-CB 3.49Å; V15-L18 PolarHBondContact O-N 3Å; V15-M19 HydrophobicContact CG1-CG 4.31Å; V15-M19 HydrophobicContact CG1-SD 3.88Å; V15-M19 VanDerWaalsContact O-CG 3.32Å; V15-M19 WeakPolarHBondContact O-CG 3.27Å; V15-M19 PolarHBondContact O-N 3.02Å
16G98.4Very high96.8Very high0 Ų042 Ų420%023%0.232CC..Hα-helixtrans-59-45.4175.400000112.7M12 A13 A14 M19 L20 S172M12-G16 PolarHBondContact O-N 3.45Å; A13-G16 PolarHBondContact O-N 3.5Å; A14-G16 VanDerWaalsContact C-N 3.34Å; G16-M19 PolarHBondContact O-N 3.41Å; G16-L20 WeakPolarHBondContact O-CG 3.41Å; G16-L20 PolarHBondContact O-N 2.84Å; G16-S172 VanDerWaalsContact C-OG 3.32Å; G16-S172 VanDerWaalsContact CA-OG 3.3Å; G16-S172 WeakPolarHBondContact CA-OG 3.46Å
17L98.6Very high96.9Very high10 Ų1043.7 Ų43.75%0.05224%0.244CC..Hα-helixtrans-60.2-45.9173.9173.361.6000112A13 A14 V15 M19 L20 G21 I86 F90 L93A13-L17 PolarHBondContact O-N 3.48Å; A14-L17 PolarHBondContact O-N 2.87Å; V15-L17 PolarHBondContact O-N 2.69Å; L17-M19 VanDerWaalsContact C-N 3.35Å; L17-M19 PolarHBondContact O-N 3.34Å; L17-L20 PolarHBondContact O-N 2.95Å; L17-G21 PolarHBondContact O-N 2.93Å; L17-I86 HydrophobicContact CD1-CG2 4.27Å; L17-F90 HydrophobicContact CD1-CD2 4.16Å; L17-F90 HydrophobicContact CD1-CE2 4.35Å; L17-F90 HydrophobicContact CD2-CD1 4.07Å; L17-F90 HydrophobicContact CD2-CD2 4.41Å; L17-F90 HydrophobicContact CD2-CE1 4.31Å; L17-F90 HydrophobicContact CD2-CG 4.12Å; L17-L93 HydrophobicContact CD2-CB 4.24Å; L17-L93 HydrophobicContact CD2-CD2 4.09Å
18L98.4Very high97.1Very high122 Ų12246.2 Ų46.264%0.63925%0.249SC*.Hα-helixtrans-58.7-48177.5-175.185.9000110.8A14 V15 L20 G21 V22A14-L18 PolarHBondContact O-N 3.34Å; V15-L18 WeakPolarHBondContact O-CB 3.49Å; V15-L18 PolarHBondContact O-N 3Å; L18-L20 PolarHBondContact O-N 3.26Å; L18-G21 CarbonylContact O-C 3.58Å; L18-G21 WeakPolarHBondContact O-CA 3.16Å; L18-G21 PolarHBondContact O-N 3.43Å; L18-G21 VanDerWaalsContact O-N 3.12Å; L18-V22 WeakPolarHBondContact O-CG2 3.34Å; L18-V22 PolarHBondContact O-N 3.47Å
19M98.2Very high97.2Very high42 Ų4240.3 Ų40.321%0.20722%0.223CC..Hα-helixtrans-65.4-36.6179.9-67.9176.677.600112.3V15 G16 L17 G21 V22 T23 L164 A168 I171V15-M19 HydrophobicContact CG1-CG 4.31Å; V15-M19 HydrophobicContact CG1-SD 3.88Å; V15-M19 VanDerWaalsContact O-CG 3.32Å; V15-M19 WeakPolarHBondContact O-CG 3.27Å; V15-M19 PolarHBondContact O-N 3.02Å; G16-M19 PolarHBondContact O-N 3.41Å; L17-M19 VanDerWaalsContact C-N 3.35Å; L17-M19 PolarHBondContact O-N 3.34Å; M19-G21 VanDerWaalsContact C-N 3.33Å; M19-V22 PolarHBondContact O-N 3.42Å; M19-T23 WeakPolarHBondContact O-CB 3.36Å; M19-T23 PolarHBondContact O-N 3.43Å; M19-T23 PolarHBondContact O-OG1 2.93Å; M19-L164 HydrophobicContact CE-CD1 3.36Å; M19-L164 HydrophobicContact CE-CG 4.33Å; M19-A168 HydrophobicContact CB-CB 3.42Å; M19-A168 VanDerWaalsContact CB-CB 3.42Å; M19-I171 HydrophobicContact SD-CD1 3.96Å
20L98.3Very high97.1Very high1 Ų141.5 Ų41.51%0.00523%0.227CC..Hα-helixtrans-62.2-42170.7-77.9174.2000111.2G16 L17 L18 V22 T23 L24 M82 A85 I86 A168G16-L20 WeakPolarHBondContact O-CG 3.41Å; G16-L20 PolarHBondContact O-N 2.84Å; L17-L20 PolarHBondContact O-N 2.95Å; L18-L20 PolarHBondContact O-N 3.26Å; L20-V22 VanDerWaalsContact C-N 3.33Å; L20-V22 PolarHBondContact O-N 3.31Å; L20-T23 PolarHBondContact O-N 3.37Å; L20-L24 PolarHBondContact O-N 3.45Å; L20-L24 VanDerWaalsContact O-N 3.08Å; L20-M82 HydrophobicContact CD2-CE 4.02Å; L20-M82 HydrophobicContact CD2-SD 4.46Å; L20-A85 HydrophobicContact CD1-CB 4.4Å; L20-I86 HydrophobicContact CB-CG1 4.28Å; L20-A168 HydrophobicContact CD2-CB 3.96Å; L20-A168 HydrophobicContact CG-CB 3.81Å
21G97.8Very high97Very high31 Ų3142.6 Ų42.632%0.3224%0.235SC..Hα-helixtrans-62.5-35.5175.700000113.5L17 L18 M19 P25L17-G21 PolarHBondContact O-N 2.93Å; L18-G21 CarbonylContact O-C 3.58Å; L18-G21 WeakPolarHBondContact O-CA 3.16Å; L18-G21 PolarHBondContact O-N 3.43Å; L18-G21 VanDerWaalsContact O-N 3.12Å; M19-G21 VanDerWaalsContact C-N 3.33Å; G21-P25 WeakPolarHBondContact O-CD 3.48Å; G21-P25 WeakPolarHBondContact O-CG 3.31Å
22V97.9Very high96.7Very high76 Ų7637.2 Ų37.246%0.46121%0.213SC..Hα-helixtrans-76.6-33.9173.5174.70000111.8L18 M19 L20 P25 N26 L164L18-V22 WeakPolarHBondContact O-CG2 3.34Å; L18-V22 PolarHBondContact O-N 3.47Å; M19-V22 PolarHBondContact O-N 3.42Å; L20-V22 VanDerWaalsContact C-N 3.33Å; L20-V22 PolarHBondContact O-N 3.31Å; V22-P25 WeakPolarHBondContact O-CD 3.49Å; V22-N26 WeakPolarHBondContact O-CB 3.31Å; V22-N26 PolarHBondContact O-N 3.05Å; V22-L164 HydrophobicContact CB-CD2 4.4Å; V22-L164 HydrophobicContact CG1-CD2 3.95Å
23T98Very high96Very high0 Ų037 Ų370%021%0.213CC..Hα-helixtrans-65.5-43.8179.9-60.40000111.7M19 L20 N26 W29 M82 I135 A161 L164 G165M19-T23 WeakPolarHBondContact O-CB 3.36Å; M19-T23 PolarHBondContact O-N 3.43Å; M19-T23 PolarHBondContact O-OG1 2.93Å; L20-T23 PolarHBondContact O-N 3.37Å; T23-N26 WeakPolarHBondContact O-CB 3.33Å; T23-N26 PolarHBondContact O-N 3.45Å; T23-W29 HydrophobicContact CG2-CH2 4.41Å; T23-W29 HydrophobicContact CG2-CZ2 3.77Å; T23-W29 PolarHBondContact O-NE1 2.73Å; T23-M82 HydrophobicContact CG2-CE 4.09Å; T23-I135 HydrophobicContact CG2-CD1 3.9Å; T23-A161 HydrophobicContact CG2-CB 4.46Å; T23-A161 VanDerWaalsContact CG2-O 3.29Å; T23-A161 WeakPolarHBondContact CG2-O 3.43Å; T23-L164 WeakPolarHBondContact OG1-CD2 3.34Å; T23-L164 WeakPolarHBondContact OG1-CG 3.39Å; T23-G165 PolarHBondContact OG1-N 3.34Å
24L96.4Very high94.6Very high25 Ų2541.6 Ų41.613%0.13124%0.242CC..THydrogen-bonded Turntrans-54.1-50.6-177.2175.563000114.3L20 L48 M82 I83 I86L20-L24 PolarHBondContact O-N 3.45Å; L20-L24 VanDerWaalsContact O-N 3.08Å; L24-L48 HydrophobicContact CD1-CD2 3.96Å; L24-M82 HydrophobicContact CB-CE 4.3Å; L24-M82 HydrophobicContact CD1-CB 3.88Å; L24-I83 HydrophobicContact CD2-CG1 4.3Å; L24-I86 HydrophobicContact CB-CD1 4Å; L24-I86 HydrophobicContact CD2-CD1 3.58Å; L24-I86 HydrophobicContact CG-CD1 4.42Å
25P96Very high92.5Very high75 Ų7548.9 Ų48.949%0.48727%0.271SS..THydrogen-bonded Turntrans-86-7.9178.534.8-37.9000114G21 V22 S27 N47G21-P25 WeakPolarHBondContact O-CD 3.48Å; G21-P25 WeakPolarHBondContact O-CG 3.31Å; V22-P25 WeakPolarHBondContact O-CD 3.49Å; P25-S27 PolarHBondContact O-N 2.92Å; P25-N47 PolarHBondContact O-ND2 3.13Å; P25-N47 VanDerWaalsContact O-ND2 3.16Å
26N96.4Very high90.3Very high43 Ų4349.1 Ų49.123%0.2329%0.288CS..  trans-55.7130.4-177.3-170.3-58.7000110.6V22 T23 Y28 W29 N47 A161V22-N26 WeakPolarHBondContact O-CB 3.31Å; V22-N26 PolarHBondContact O-N 3.05Å; T23-N26 WeakPolarHBondContact O-CB 3.33Å; T23-N26 PolarHBondContact O-N 3.45Å; N26-Y28 PolarHBondContact O-N 3.47Å; N26-Y28 PolarHBondContact OD1-N 2.93Å; N26-W29 PolarHBondContact O-NE1 3.31Å; N26-N47 WeakPolarHBondContact O-CB 3.46Å; N26-N47 PolarHBondContact O-ND2 2.98Å; N26-A161 HydrophobicContact CB-CB 3.76Å
27S94.1Very high88Confident40 Ų4054.8 Ų54.828%0.2832%0.318SS..SBendtrans-69-15.1-174.7-50.80000114.8P25 E46P25-S27 PolarHBondContact O-N 2.92Å; S27-E46 CarbonylContact O-C 3.27Å; S27-E46 VanDerWaalsContact O-C 3.26Å
28Y95.3Very high85.8Confident107 Ų10761.1 Ų61.142%0.4236%0.357SS..  trans-114.264.9-168.6-55.6-86.6000112.5N26 V31 F45 G159 A161N26-Y28 PolarHBondContact O-N 3.47Å; N26-Y28 PolarHBondContact OD1-N 2.93Å; Y28-V31 HydrophobicContact CD1-CG2 4.18Å; Y28-F45 HydrophobicContact CD1-CB 3.82Å; Y28-F45 HydrophobicContact CD1-CD2 4.03Å; Y28-F45 AromaticContact CD1-CG 3.93Å; Y28-F45 HydrophobicContact CD1-CG 3.93Å; Y28-F45 HydrophobicContact CE1-CB 4.11Å; Y28-F45 HydrophobicContact CE1-CD1 4.16Å; Y28-F45 AromaticContact CE1-CD2 3.78Å; Y28-F45 HydrophobicContact CE1-CD2 3.78Å; Y28-F45 HydrophobicContact CE1-CE2 4.27Å; Y28-F45 AromaticContact CE1-CG 3.73Å; Y28-F45 HydrophobicContact CE1-CG 3.73Å; Y28-G159 CarbonylContact O-C 3.58Å; Y28-G159 VanDerWaalsContact O-C 3.27Å; Y28-G159 VanDerWaalsContact O-CA 3.24Å; Y28-G159 WeakPolarHBondContact O-CA 3.42Å; Y28-A161 WeakPolarHBondContact O-CB 3.46Å; Y28-A161 PolarHBondContact O-N 2.97Å
29W96.5Very high83.7Confident0 Ų061.8 Ų61.80%036%0.359CS..SBendtrans-80.8-35.4169.4-76.156.7000112T23 N26 E46 N47 L48 M82 I135 Y138 G159 A161 L162T23-W29 HydrophobicContact CG2-CH2 4.41Å; T23-W29 HydrophobicContact CG2-CZ2 3.77Å; T23-W29 PolarHBondContact O-NE1 2.73Å; N26-W29 PolarHBondContact O-NE1 3.31Å; W29-E46 WeakPolarHBondContact CA-O 3.39Å; W29-E46 WeakPolarHBondContact CB-O 3.33Å; W29-E46 PolarHBondContact N-O 2.93Å; W29-N47 HydrophobicContact CG-CB 4.3Å; W29-L48 HydrophobicContact CD2-CD1 3.22Å; W29-L48 HydrophobicContact CE3-CD1 3.21Å; W29-L48 HydrophobicContact CG-CD1 3.92Å; W29-L48 HydrophobicContact CH2-CD1 3.55Å; W29-L48 HydrophobicContact CH2-CD2 4.11Å; W29-L48 HydrophobicContact CZ2-CD1 3.55Å; W29-L48 HydrophobicContact CZ2-CD2 4.3Å; W29-L48 HydrophobicContact CZ3-CD1 3.38Å; W29-L48 HydrophobicContact CZ3-CD2 4.49Å; W29-M82 HydrophobicContact CH2-CE 4.09Å; W29-M82 HydrophobicContact CH2-CG 3.86Å; W29-M82 HydrophobicContact CH2-SD 4.04Å; W29-M82 HydrophobicContact CZ2-CE 4.14Å; W29-M82 HydrophobicContact CZ2-CG 4.5Å; W29-I135 HydrophobicContact CE3-CD1 4.32Å; W29-I135 HydrophobicContact CH2-CD1 3.32Å; W29-I135 HydrophobicContact CZ2-CD1 4.05Å; W29-I135 HydrophobicContact CZ3-CD1 3.48Å; W29-I135 VanDerWaalsContact CZ3-CD1 3.48Å; W29-Y138 HydrophobicContact CB-CE1 3.76Å; W29-Y138 AromaticContact CE3-CD1 3.94Å; W29-Y138 HydrophobicContact CE3-CD1 3.94Å; W29-Y138 HydrophobicContact CE3-CD2 4.12Å; W29-Y138 HydrophobicContact CE3-CE1 4.13Å; W29-Y138 HydrophobicContact CE3-CE2 4.33Å; W29-Y138 AromaticContact CE3-CG 3.93Å; W29-Y138 HydrophobicContact CE3-CG 3.93Å; W29-Y138 HydrophobicContact CZ3-CD2 4.44Å; W29-Y138 HydrophobicContact CZ3-CG 4.3Å; W29-G159 WeakPolarHBondContact O-CA 3.49Å; W29-G159 PolarHBondContact O-N 3.16Å; W29-A161 HydrophobicContact CG-CB 4.05Å; W29-L162 HydrophobicContact CD2-CD2 4.13Å; W29-L162 HydrophobicContact CE3-CD2 3.48Å; W29-L162 VanDerWaalsContact CE3-CD2 3.48Å; W29-L162 HydrophobicContact CZ3-CD2 4Å; W29-L162 WeakPolarHBondContact O-CD1 3.4Å; W29-L162 WeakPolarHBondContact O-CG 3.39Å
30R94.1Very high81.8Confident25 Ų2564.5 Ų64.59%0.09438%0.378CS..EExtended strand (participates in β ladder)trans-142.7149.4171.265.2-179.3-177.4174.82.1110.9F45 E46 Y74 Y138 I142 Y156 E157R30-F45 VanDerWaalsContact O-CA 3.3Å; R30-F45 WeakPolarHBondContact O-CA 3.42Å; R30-E46 HydrophobicContact CG-CB 3.9Å; R30-E46 HydrophobicContact CG-CG 4.43Å; R30-E46 IonicContact CZ-OE2 3.03Å; R30-E46 PolarHBondContact N-O 3.44Å; R30-E46 VanDerWaalsContact N-O 3.11Å; R30-E46 IonicContact NE-OE2 2.73Å; R30-E46 PolarHBondContact NE-OE2 2.92Å; R30-E46 IonicContact NH2-OE2 2.59Å; R30-E46 PolarHBondContact NH2-OE2 3.27Å; R30-E46 PolarHBondContact O-N 3.24Å; R30-Y74 PolarHBondContact NH1-OH 3.49Å; R30-Y138 HydrophobicContact CB-CE1 4.19Å; R30-Y138 WeakPolarHBondContact CD-OH 3.46Å; R30-Y138 HydrophobicContact CG-CE1 4.37Å; R30-I142 HydrophobicContact CB-CD1 3.76Å; R30-I142 HydrophobicContact CB-CG1 4.38Å; R30-Y156 HydrophobicContact CB-CD1 3.97Å; R30-Y156 HydrophobicContact CB-CG 4.23Å; R30-Y156 HydrophobicContact CG-CD1 3.65Å; R30-Y156 HydrophobicContact CG-CE1 4.09Å; R30-Y156 HydrophobicContact CG-CG 4.06Å; R30-E157 WeakPolarHBondContact CA-O 3.35Å
31V93.3Very high80Confident43 Ų4367.3 Ų67.326%0.26140%0.396SS..EExtended strand (participates in β ladder)trans-131.6131.7-179.1-174.70000109Y28 I44 F45 Y156 E157Y28-V31 HydrophobicContact CD1-CG2 4.18Å; V31-I44 CarbonylContact C-O 3.26Å; V31-I44 WeakPolarHBondContact CA-O 3.43Å; V31-F45 HydrophobicContact CG2-CB 4.19Å; V31-Y156 CarbonylContact O-C 3.5Å; V31-Y156 WeakPolarHBondContact O-CA 3.23Å; V31-E157 PolarHBondContact N-O 3.47Å; V31-E157 VanDerWaalsContact N-O 3.16Å; V31-E157 PolarHBondContact O-N 3.3Å
32S90.5Very high78.8Confident12 Ų1269.9 Ų69.98%0.08440%0.402CS..EExtended strand (participates in β ladder)trans-66.5136.7-177.561.50000111I44 K155S32-I44 PolarHBondContact N-O 3.36Å; S32-I44 PolarHBondContact OG-N 3.46Å; S32-I44 PolarHBondContact OG-O 2.85Å; S32-K155 WeakPolarHBondContact CA-O 3.4Å
33T83.9Confident78.3Confident27 Ų2769 Ų6917%0.16640%0.397CS..  trans-77.5147.7170.7-162.60000110.6H35 F146 K155 E157T33-H35 VanDerWaalsContact C-N 3.27Å; T33-H35 HydrophobicContact CG2-CB 4.34Å; T33-H35 PolarHBondContact O-N 2.86Å; T33-F146 HydrophobicContact CG2-CE2 4.19Å; T33-K155 HydrophobicContact CG2-CB 3.64Å; T33-K155 PolarHBondContact N-O 2.84Å; T33-E157 VanDerWaalsContact CB-OE1 3.31Å; T33-E157 WeakPolarHBondContact CB-OE1 3.44Å; T33-E157 PolarHBondContact OG1-OE1 3.2Å
34V68.4Low77.9Confident98 Ų9871.1 Ų71.159%0.59441%0.408SS*.  trans-85.4-3-178.4-171.70000111.7G36 T40V34-G36 PolarHBondContact O-N 3.24Å; V34-T40 HydrophobicContact CG1-CG2 3.97Å
35H53.7Low77.6Confident179 Ų17970.3 Ų70.383%0.82940%0.403SS*.THydrogen-bonded Turntrans-76110.1-173.3-119.765000112.6T33T33-H35 VanDerWaalsContact C-N 3.27Å; T33-H35 HydrophobicContact CG2-CB 4.34Å; T33-H35 PolarHBondContact O-N 2.86Å
36G52.9Low77.4Confident76 Ų7667.3 Ų67.378%0.78438%0.383SS*.THydrogen-bonded Turntrans107-3.5160.400000117.7V34V34-G36 PolarHBondContact O-N 3.24Å
37N50.1Low77.3Confident118 Ų11865.6 Ų65.663%0.63137%0.374SS*.  trans-95.8120.8175.5-121.315.6000110.8I39 T40N37-I39 PolarHBondContact O-N 3.21Å; N37-I39 VanDerWaalsContact O-N 3.12Å; N37-T40 WeakPolarHBondContact O-CG2 3.48Å
38V51.7Low77.2Confident144 Ų14463.7 Ų63.787%0.87336%0.36SS*.SBendtrans-66.5-11.3-177.3177.20000112.9
39I54.9Low77Confident135 Ų13562.6 Ų62.669%0.69236%0.355SS*.  trans-109.874.7174.5-50.6-179.8000108.3N37 T41N37-I39 PolarHBondContact O-N 3.21Å; N37-I39 VanDerWaalsContact O-N 3.12Å; I39-T41 PolarHBondContact O-N 3.13Å; I39-T41 VanDerWaalsContact O-N 3.13Å
40T56.5Low76.7Confident99 Ų9966.2 Ų66.261%0.60737%0.371SS*.THydrogen-bonded Turntrans-78.176175.745.30000111.1V34 N37V34-T40 HydrophobicContact CG1-CG2 3.97Å; N37-T40 WeakPolarHBondContact O-CG2 3.48Å
41T61.3Low76.5Confident61 Ų6166.3 Ų66.337%0.37438%0.376SS..THydrogen-bonded Turntrans-122.9-24170.762.50000113.8I39 D55 S56I39-T41 PolarHBondContact O-N 3.13Å; I39-T41 VanDerWaalsContact O-N 3.13Å; T41-D55 WeakPolarHBondContact CB-OD1 3.48Å; T41-D55 CarbonylContact O-C 3.57Å; T41-D55 WeakPolarHBondContact O-CA 3.11Å; T41-S56 PolarHBondContact O-N 2.98Å
42N73.5Confident76.4Confident85 Ų8564.5 Ų64.546%0.45537%0.365SS..EExtended strand (participates in β ladder)trans-124.5129-168-59.1-7.3000113.5T54 D55N42-T54 CarbonylContact C-O 3.53Å; N42-T54 WeakPolarHBondContact CA-O 3.36Å; N42-D55 WeakPolarHBondContact OD1-CA 3.36Å; N42-D55 WeakPolarHBondContact OD1-CB 3.2Å; N42-D55 PolarHBondContact OD1-OD1 2.96Å
43T85.7Confident76.4Confident57 Ų5765 Ų6535%0.3537%0.37SS..EExtended strand (participates in β ladder)trans-94.2122.5166.457.50000109.5A53 T54T43-A53 WeakPolarHBondContact O-CA 3.36Å; T43-T54 PolarHBondContact N-O 3.03Å; T43-T54 PolarHBondContact O-N 3.37Å; T43-T54 VanDerWaalsContact OG1-CG2 3.31Å; T43-T54 WeakPolarHBondContact OG1-CG2 3.3Å
44I89.4Confident76.6Confident44 Ų4466 Ų6623%0.22638%0.376CS..EExtended strand (participates in β ladder)trans-100131.5179.1-54.9170.9000108.7V31 S32 E46 C52 A53 Y156V31-I44 CarbonylContact C-O 3.26Å; V31-I44 WeakPolarHBondContact CA-O 3.43Å; S32-I44 PolarHBondContact N-O 3.36Å; S32-I44 PolarHBondContact OG-N 3.46Å; S32-I44 PolarHBondContact OG-O 2.85Å; I44-E46 HydrophobicContact CG2-CG 4.01Å; I44-C52 CarbonylContact C-O 3.55Å; I44-C52 WeakPolarHBondContact CA-O 3.42Å; I44-A53 HydrophobicContact CG1-CB 4.32Å; I44-Y156 HydrophobicContact CG2-CE1 4.28Å
45F91.6Very high77.3Confident8 Ų863.5 Ų63.54%0.03536%0.359CS..EExtended strand (participates in β ladder)trans-134.4140.8172.651.4-84.3000109.1Y28 R30 V31 C52 Y60Y28-F45 HydrophobicContact CD1-CB 3.82Å; Y28-F45 HydrophobicContact CD1-CD2 4.03Å; Y28-F45 AromaticContact CD1-CG 3.93Å; Y28-F45 HydrophobicContact CD1-CG 3.93Å; Y28-F45 HydrophobicContact CE1-CB 4.11Å; Y28-F45 HydrophobicContact CE1-CD1 4.16Å; Y28-F45 AromaticContact CE1-CD2 3.78Å; Y28-F45 HydrophobicContact CE1-CD2 3.78Å; Y28-F45 HydrophobicContact CE1-CE2 4.27Å; Y28-F45 AromaticContact CE1-CG 3.73Å; Y28-F45 HydrophobicContact CE1-CG 3.73Å; R30-F45 VanDerWaalsContact O-CA 3.3Å; R30-F45 WeakPolarHBondContact O-CA 3.42Å; V31-F45 HydrophobicContact CG2-CB 4.19Å; F45-C52 HydrophobicContact CD2-CB 3.73Å; F45-C52 HydrophobicContact CE1-CB 4.18Å; F45-C52 HydrophobicContact CE2-CB 3.18Å; F45-C52 HydrophobicContact CG-CB 4.42Å; F45-C52 HydrophobicContact CZ-CB 3.42Å; F45-C52 VanDerWaalsContact CZ-CB 3.42Å; F45-C52 PolarHBondContact N-O 2.93Å; F45-C52 PolarHBondContact O-N 3.5Å; F45-C52 VanDerWaalsContact O-O 3.09Å; F45-Y60 AromaticContact CE2-CE2 3.96Å; F45-Y60 HydrophobicContact CE2-CE2 3.96Å; F45-Y60 AromaticContact CZ-CD2 3.96Å; F45-Y60 HydrophobicContact CZ-CD2 3.96Å; F45-Y60 AromaticContact CZ-CE2 3.47Å; F45-Y60 HydrophobicContact CZ-CE2 3.47Å; F45-Y60 VanDerWaalsContact CZ-CE2 3.47Å
46E92.3Very high78.4Confident13 Ų1359.4 Ų59.46%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-134.9148.4-171.8-49.7-168.1153.500110.9S27 W29 R30 I44 F50 S51 F65 Y156S27-E46 CarbonylContact O-C 3.27Å; S27-E46 VanDerWaalsContact O-C 3.26Å; W29-E46 WeakPolarHBondContact CA-O 3.39Å; W29-E46 WeakPolarHBondContact CB-O 3.33Å; W29-E46 PolarHBondContact N-O 2.93Å; R30-E46 HydrophobicContact CG-CB 3.9Å; R30-E46 HydrophobicContact CG-CG 4.43Å; R30-E46 IonicContact CZ-OE2 3.03Å; R30-E46 PolarHBondContact N-O 3.44Å; R30-E46 VanDerWaalsContact N-O 3.11Å; R30-E46 IonicContact NE-OE2 2.73Å; R30-E46 PolarHBondContact NE-OE2 2.92Å; R30-E46 IonicContact NH2-OE2 2.59Å; R30-E46 PolarHBondContact NH2-OE2 3.27Å; R30-E46 PolarHBondContact O-N 3.24Å; I44-E46 HydrophobicContact CG2-CG 4.01Å; E46-F50 WeakPolarHBondContact CA-O 3.25Å; E46-S51 WeakPolarHBondContact CG-OG 3.48Å; E46-S51 WeakPolarHBondContact OE1-CB 3.3Å; E46-S51 PolarHBondContact OE1-OG 2.87Å; E46-F65 HydrophobicContact CB-CZ 4.1Å; E46-F65 HydrophobicContact CG-CZ 4.47Å; E46-Y156 HydrophobicContact CG-CE1 4.28Å; E46-Y156 PolarHBondContact OE1-OH 3.24Å
47N93.1Very high79.7Confident6 Ų662.7 Ų62.73%0.03235%0.35CS..  trans-115.8-156.4168.470.710.4000110.5P25 N26 W29 W49 F50 F65P25-N47 PolarHBondContact O-ND2 3.13Å; P25-N47 VanDerWaalsContact O-ND2 3.16Å; N26-N47 WeakPolarHBondContact O-CB 3.46Å; N26-N47 PolarHBondContact O-ND2 2.98Å; W29-N47 HydrophobicContact CG-CB 4.3Å; N47-W49 VanDerWaalsContact C-N 3.31Å; N47-W49 WeakPolarHBondContact OD1-CA 3.47Å; N47-W49 PolarHBondContact OD1-N 3.41Å; N47-F50 PolarHBondContact N-O 3.07Å; N47-F50 PolarHBondContact OD1-N 3.43Å; N47-F50 PolarHBondContact OD1-O 2.93Å; N47-F65 VanDerWaalsContact O-CE2 3.28Å; N47-F65 WeakPolarHBondContact O-CE2 3.16Å
48L91.3Very high81Confident0 Ų060 Ų600%035%0.35CS..SBendtrans-74.8-22.1177.2-92.962.6000112.8L24 W29 I75 C78 R79 M82 Y138L24-L48 HydrophobicContact CD1-CD2 3.96Å; W29-L48 HydrophobicContact CD2-CD1 3.22Å; W29-L48 HydrophobicContact CE3-CD1 3.21Å; W29-L48 HydrophobicContact CG-CD1 3.92Å; W29-L48 HydrophobicContact CH2-CD1 3.55Å; W29-L48 HydrophobicContact CH2-CD2 4.11Å; W29-L48 HydrophobicContact CZ2-CD1 3.55Å; W29-L48 HydrophobicContact CZ2-CD2 4.3Å; W29-L48 HydrophobicContact CZ3-CD1 3.38Å; W29-L48 HydrophobicContact CZ3-CD2 4.49Å; L48-I75 HydrophobicContact CG-CG2 4.47Å; L48-C78 HydrophobicContact CD2-CB 4.26Å; L48-R79 HydrophobicContact CB-CG 3.91Å; L48-R79 HydrophobicContact CD2-CB 4.27Å; L48-R79 HydrophobicContact CD2-CG 3.73Å; L48-R79 HydrophobicContact CG-CG 4Å; L48-R79 PolarHBondContact O-NE 3.49Å; L48-R79 PolarHBondContact O-NH2 3.18Å; L48-M82 HydrophobicContact CD2-CG 4.37Å; L48-Y138 HydrophobicContact CD1-CE2 4.27Å
49W91.2Very high82.5Confident84 Ų8456.6 Ų56.632%0.31833%0.329SS..SBendtrans-116-35.6-165.3-57.6109.2000113.9N47 F65 R79 I83N47-W49 VanDerWaalsContact C-N 3.31Å; N47-W49 WeakPolarHBondContact OD1-CA 3.47Å; N47-W49 PolarHBondContact OD1-N 3.41Å; W49-F65 VanDerWaalsContact O-CD2 3.29Å; W49-F65 WeakPolarHBondContact O-CD2 3.42Å; W49-F65 PolarHBondContact O-N 3.31Å; W49-F65 VanDerWaalsContact O-N 3.08Å; W49-R79 HydrophobicContact CH2-CB 4.23Å; W49-R79 HydrophobicContact CH2-CG 3.89Å; W49-R79 HydrophobicContact CZ2-CB 4.39Å; W49-R79 HydrophobicContact CZ2-CG 3.96Å; W49-R79 HydrophobicContact CZ3-CG 4.26Å; W49-R79 VanDerWaalsContact CZ3-CZ 3.49Å; W49-I83 HydrophobicContact CH2-CD1 4.22Å; W49-I83 HydrophobicContact CZ2-CD1 4.19Å
50F91.3Very high83.9Confident76 Ų7656.1 Ų56.133%0.33332%0.32SS..EExtended strand (participates in β ladder)trans-128.5148-172.4-55.2-87.8000110.8E46 N47 W63 E64E46-F50 WeakPolarHBondContact CA-O 3.25Å; N47-F50 PolarHBondContact N-O 3.07Å; N47-F50 PolarHBondContact OD1-N 3.43Å; N47-F50 PolarHBondContact OD1-O 2.93Å; F50-W63 CarbonylContact C-O 3.55Å; F50-W63 VanDerWaalsContact CA-O 3.3Å; F50-W63 WeakPolarHBondContact CA-O 3.32Å; F50-E64 HydrophobicContact CD1-CB 4.42Å; F50-E64 HydrophobicContact CD1-CG 3.53Å; F50-E64 HydrophobicContact CE1-CG 3.24Å; F50-E64 HydrophobicContact CZ-CG 4.2Å
51S90.4Very high85.4Confident27 Ų2755.2 Ų55.219%0.18931%0.311CS..EExtended strand (participates in β ladder)trans-112.1123.7164-179.90000108.1E46 W63E46-S51 WeakPolarHBondContact CG-OG 3.48Å; E46-S51 WeakPolarHBondContact OE1-CB 3.3Å; E46-S51 PolarHBondContact OE1-OG 2.87Å; S51-W63 PolarHBondContact N-O 3.19Å; S51-W63 PolarHBondContact O-N 3.46Å
52C91Very high86.8Confident5 Ų554.7 Ų54.73%0.03431%0.31CS..EExtended strand (participates in β ladder)trans-122.6146.3-174.8-61.40000110.3I44 F45 N61 C62I44-C52 CarbonylContact C-O 3.55Å; I44-C52 WeakPolarHBondContact CA-O 3.42Å; F45-C52 HydrophobicContact CD2-CB 3.73Å; F45-C52 HydrophobicContact CE1-CB 4.18Å; F45-C52 HydrophobicContact CE2-CB 3.18Å; F45-C52 HydrophobicContact CG-CB 4.42Å; F45-C52 HydrophobicContact CZ-CB 3.42Å; F45-C52 VanDerWaalsContact CZ-CB 3.42Å; F45-C52 PolarHBondContact N-O 2.93Å; F45-C52 PolarHBondContact O-N 3.5Å; F45-C52 VanDerWaalsContact O-O 3.09Å; C52-N61 CarbonylContact C-O 3.56Å; C52-N61 VanDerWaalsContact CA-O 3.29Å; C52-N61 WeakPolarHBondContact CA-O 3.28Å; C52-C62 HydrophobicContact CB-CB 4.14Å; C52-C62 WeakPolarHBondContact CB-SG 3.41Å; C52-C62 WeakPolarHBondContact SG-CB 3.39Å; C52-C62 CovalentContact SG-SG 2.03Å; C52-C62 PolarHBondContact SG-SG 3.2Å
53A89.7Confident87.6Confident24 Ų2459.4 Ų59.420%0.19832%0.321CS..EExtended strand (participates in β ladder)trans-131.4136.5177.400000110.4T43 I44 N61T43-A53 WeakPolarHBondContact O-CA 3.36Å; I44-A53 HydrophobicContact CG1-CB 4.32Å; A53-N61 PolarHBondContact N-O 3.28Å; A53-N61 PolarHBondContact O-N 3.32Å
54T87.8Confident87.6Confident46 Ų4663.8 Ų63.828%0.28234%0.337SS..EExtended strand (participates in β ladder)trans-109.2131168.4-1170000108.8N42 T43 V59N42-T54 CarbonylContact C-O 3.53Å; N42-T54 WeakPolarHBondContact CA-O 3.36Å; T43-T54 PolarHBondContact N-O 3.03Å; T43-T54 PolarHBondContact O-N 3.37Å; T43-T54 VanDerWaalsContact OG1-CG2 3.31Å; T43-T54 WeakPolarHBondContact OG1-CG2 3.3Å; T54-V59 WeakPolarHBondContact CA-O 3.18Å
55D82.8Confident87.2Confident46 Ų4663.3 Ų63.325%0.24633%0.334CS..EExtended strand (participates in β ladder)trans-92.7157.5171.2-163.8-19.6000110.4T41 N42 L57 G58 V59T41-D55 WeakPolarHBondContact CB-OD1 3.48Å; T41-D55 CarbonylContact O-C 3.57Å; T41-D55 WeakPolarHBondContact O-CA 3.11Å; N42-D55 WeakPolarHBondContact OD1-CA 3.36Å; N42-D55 WeakPolarHBondContact OD1-CB 3.2Å; N42-D55 PolarHBondContact OD1-OD1 2.96Å; D55-L57 PolarHBondContact O-N 2.93Å; D55-L57 VanDerWaalsContact O-N 3.08Å; D55-G58 WeakPolarHBondContact O-CA 3.06Å; D55-G58 PolarHBondContact O-N 3.32Å; D55-V59 PolarHBondContact N-O 3.23Å
56S78.3Confident85.9Confident94 Ų9467 Ų6766%0.65736%0.359SS*.THydrogen-bonded Turntrans-48.9-25.7170.359.60000115T41 G58T41-S56 PolarHBondContact O-N 2.98Å; S56-G58 PolarHBondContact O-N 3.3Å
57L79.4Confident84.5Confident144 Ų14471 Ų7175%0.75439%0.388SS*.THydrogen-bonded Turntrans-822.6174.7-60178.6000113.7D55 V59D55-L57 PolarHBondContact O-N 2.93Å; D55-L57 VanDerWaalsContact O-N 3.08Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 HydrophobicContact CB-CG2 4.32Å; L57-V59 PolarHBondContact O-N 3.25Å
58G77.4Confident83Confident61 Ų6175.7 Ų75.763%0.62941%0.412SS*.  trans79.37.8-178.400000114.4D55 S56D55-G58 WeakPolarHBondContact O-CA 3.06Å; D55-G58 PolarHBondContact O-N 3.32Å; S56-G58 PolarHBondContact O-N 3.3Å
59V82.9Confident81.4Confident73 Ų7384.1 Ų84.144%0.44246%0.456SS..  trans-73.7128.2176.8-176.10000109.4T54 D55 L57 N61T54-V59 WeakPolarHBondContact CA-O 3.18Å; D55-V59 PolarHBondContact N-O 3.23Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 HydrophobicContact CB-CG2 4.32Å; L57-V59 PolarHBondContact O-N 3.25Å; V59-N61 WeakPolarHBondContact CG1-ND2 3.28Å
60Y85.8Confident79.8Confident126 Ų12683.6 Ų83.649%0.49447%0.47SS..EExtended strand (participates in β ladder)trans-111.6120.7180175-85.6000109.6F45 C62F45-Y60 AromaticContact CE2-CE2 3.96Å; F45-Y60 HydrophobicContact CE2-CE2 3.96Å; F45-Y60 AromaticContact CZ-CD2 3.96Å; F45-Y60 HydrophobicContact CZ-CD2 3.96Å; F45-Y60 AromaticContact CZ-CE2 3.47Å; F45-Y60 HydrophobicContact CZ-CE2 3.47Å; F45-Y60 VanDerWaalsContact CZ-CE2 3.47Å; Y60-C62 HydrophobicContact CE1-CB 4.39Å; Y60-C62 WeakPolarHBondContact CE1-SG 3.23Å; Y60-C62 PolarHBondContact OH-SG 2.92Å
61N88.1Confident78.9Confident80 Ų8081 Ų8143%0.42846%0.46SS..EExtended strand (participates in β ladder)trans-127.7131.6176.1-66.5-68.1000110.1C52 A53 V59C52-N61 CarbonylContact C-O 3.56Å; C52-N61 VanDerWaalsContact CA-O 3.29Å; C52-N61 WeakPolarHBondContact CA-O 3.28Å; A53-N61 PolarHBondContact N-O 3.28Å; A53-N61 PolarHBondContact O-N 3.32Å; V59-N61 WeakPolarHBondContact CG1-ND2 3.28Å
62C90.8Very high78.4Confident50 Ų5082 Ų8234%0.33847%0.467SS..EExtended strand (participates in β ladder)trans-121.4138.3174-71.80000111.1C52 Y60C52-C62 HydrophobicContact CB-CB 4.14Å; C52-C62 WeakPolarHBondContact CB-SG 3.41Å; C52-C62 WeakPolarHBondContact SG-CB 3.39Å; C52-C62 CovalentContact SG-SG 2.03Å; C52-C62 PolarHBondContact SG-SG 3.2Å; Y60-C62 HydrophobicContact CE1-CB 4.39Å; Y60-C62 WeakPolarHBondContact CE1-SG 3.23Å; Y60-C62 PolarHBondContact OH-SG 2.92Å
63W88.6Confident78Confident183 Ų18384.3 Ų84.369%0.69349%0.492SS*.EExtended strand (participates in β ladder)trans-122.8136.2178.3-53.591.2000108.8F50 S51F50-W63 CarbonylContact C-O 3.55Å; F50-W63 VanDerWaalsContact CA-O 3.3Å; F50-W63 WeakPolarHBondContact CA-O 3.32Å; S51-W63 PolarHBondContact N-O 3.19Å; S51-W63 PolarHBondContact O-N 3.46Å
64E86.5Confident78Confident149 Ų14984.6 Ų84.670%0.69649%0.488SS*.EExtended strand (participates in β ladder)trans-67.5142.1168.6-74.9180-164.600109.7F50F50-E64 HydrophobicContact CD1-CB 4.42Å; F50-E64 HydrophobicContact CD1-CG 3.53Å; F50-E64 HydrophobicContact CE1-CG 3.24Å; F50-E64 HydrophobicContact CZ-CG 4.2Å
65F80.5Confident78.1Confident35 Ų3582.5 Ų82.515%0.15448%0.475CS..PPolyproline II helixtrans-58.5135.1173.5-76.6-63.4000110.3E46 N47 W49 L71E46-F65 HydrophobicContact CB-CZ 4.1Å; E46-F65 HydrophobicContact CG-CZ 4.47Å; N47-F65 VanDerWaalsContact O-CE2 3.28Å; N47-F65 WeakPolarHBondContact O-CE2 3.16Å; W49-F65 VanDerWaalsContact O-CD2 3.29Å; W49-F65 WeakPolarHBondContact O-CD2 3.42Å; W49-F65 PolarHBondContact O-N 3.31Å; W49-F65 VanDerWaalsContact O-N 3.08Å; F65-L71 HydrophobicContact CB-CD1 3.81Å; F65-L71 HydrophobicContact CB-CD2 4.16Å; F65-L71 HydrophobicContact CD1-CD1 3.62Å; F65-L71 HydrophobicContact CD2-CD1 4.22Å; F65-L71 HydrophobicContact CE1-CD1 4.23Å; F65-L71 HydrophobicContact CG-CD1 3.61Å; F65-L71 HydrophobicContact CG-CD2 4.39Å
66P65.4Low78.5Confident85 Ų8584.3 Ų84.355%0.55248%0.482SS*.PPolyproline II helixtrans-58.9155.7176.525.7-32.9000110.1A70P66-A70 HydrophobicContact CB-CB 4.3Å; P66-A70 HydrophobicContact CG-CB 4.27Å
67S63.2Low79.2Confident96 Ų9681.2 Ų81.267%0.67146%0.462SS*.  trans-19.8144.3-177.2-42.30000115.9L69 A70S67-L69 PolarHBondContact O-N 3.48Å; S67-A70 PolarHBondContact O-N 2.82Å
68L59.8Low79.9Confident105 Ų10574.4 Ų74.455%0.5543%0.426SS..THydrogen-bonded Turntrans-44.2-29.2-179.1-65.8172.5000115.4Q76L68-Q76 PolarHBondContact O-OE1 2.87Å
69L57.4Low80.8Confident177 Ų17772.7 Ų72.793%0.92740%0.401SS*.THydrogen-bonded Turntrans-78.4-23.1179.7-146.174.9000114.8S67S67-L69 PolarHBondContact O-N 3.48Å
70A59.5Low81.3Confident74 Ų7471.8 Ų71.861%0.61240%0.401SS*.THydrogen-bonded Turntrans-94.7-10.5-179.900000112.9P66 S67P66-A70 HydrophobicContact CB-CB 4.3Å; P66-A70 HydrophobicContact CG-CB 4.27Å; S67-A70 PolarHBondContact O-N 2.82Å
71L72.6Confident81.9Confident20 Ų2067.9 Ų67.911%0.10539%0.389CS..SBendtrans-87.2143-178.4-166.558.9000111F65 G73 I75F65-L71 HydrophobicContact CB-CD1 3.81Å; F65-L71 HydrophobicContact CB-CD2 4.16Å; F65-L71 HydrophobicContact CD1-CD1 3.62Å; F65-L71 HydrophobicContact CD2-CD1 4.22Å; F65-L71 HydrophobicContact CE1-CD1 4.23Å; F65-L71 HydrophobicContact CG-CD1 3.61Å; F65-L71 HydrophobicContact CG-CD2 4.39Å; L71-G73 PolarHBondContact O-N 3.32Å; L71-I75 HydrophobicContact CD1-CD1 4Å; L71-I75 HydrophobicContact CD2-CB 4.2Å; L71-I75 HydrophobicContact CD2-CG2 3.8Å; L71-I75 HydrophobicContact CG-CB 4.19Å; L71-I75 HydrophobicContact CG-CD1 4.44Å; L71-I75 HydrophobicContact CG-CG2 4.27Å
72S78.2Confident82.4Confident48 Ų4864.1 Ų64.134%0.33637%0.368SS..  trans-58.4129.1177.556.20000111.2Y74 I75S72-Y74 PolarHBondContact O-N 3.1Å; S72-Y74 WeakPolarHBondContact OG-CE1 3.46Å; S72-I75 PolarHBondContact O-N 2.99Å; S72-I75 WeakPolarHBondContact OG-CD1 3.46Å; S72-I75 VanDerWaalsContact OG-CG1 3.24Å; S72-I75 WeakPolarHBondContact OG-CG1 3.15Å
73G84.4Confident82.7Confident55 Ų5565 Ų6557%0.56737%0.369SS*.Hα-helixtrans-55.6-31-171.200000115.2L71 I75 Q76 A77L71-G73 PolarHBondContact O-N 3.32Å; G73-I75 VanDerWaalsContact C-N 3.33Å; G73-I75 PolarHBondContact O-N 2.92Å; G73-Q76 PolarHBondContact O-N 2.76Å; G73-A77 PolarHBondContact O-N 2.94Å
74Y88.1Confident83.2Confident30 Ų3059.3 Ų59.312%0.11836%0.355CS..Hα-helixtrans-66.3-32.4177.778.3-91.5000112.6R30 S72 A77 C78 Y138 N141R30-Y74 PolarHBondContact NH1-OH 3.49Å; S72-Y74 PolarHBondContact O-N 3.1Å; S72-Y74 WeakPolarHBondContact OG-CE1 3.46Å; Y74-A77 PolarHBondContact O-N 3.42Å; Y74-C78 WeakPolarHBondContact O-CB 3.44Å; Y74-C78 PolarHBondContact O-N 3.34Å; Y74-C78 PolarHBondContact O-SG 3.4Å; Y74-Y138 HydrophobicContact CD2-CD2 4.18Å; Y74-Y138 AromaticContact CE2-CD2 3.7Å; Y74-Y138 HydrophobicContact CE2-CD2 3.7Å; Y74-Y138 AromaticContact CE2-CE2 3.88Å; Y74-Y138 HydrophobicContact CE2-CE2 3.88Å; Y74-Y138 HydrophobicContact CE2-CG 4.38Å; Y74-N141 HydrophobicContact CD2-CB 4.38Å; Y74-N141 HydrophobicContact CE1-CB 4.38Å; Y74-N141 HydrophobicContact CE2-CB 4.15Å
75I90.5Very high83.8Confident1 Ų152.2 Ų52.21%0.00532%0.322CS..Hα-helixtrans-67.5-41.9177.5-62.5179.6000109.8L48 L71 S72 G73 A77 C78 R79 Y138L48-I75 HydrophobicContact CG-CG2 4.47Å; L71-I75 HydrophobicContact CD1-CD1 4Å; L71-I75 HydrophobicContact CD2-CB 4.2Å; L71-I75 HydrophobicContact CD2-CG2 3.8Å; L71-I75 HydrophobicContact CG-CB 4.19Å; L71-I75 HydrophobicContact CG-CD1 4.44Å; L71-I75 HydrophobicContact CG-CG2 4.27Å; S72-I75 PolarHBondContact O-N 2.99Å; S72-I75 WeakPolarHBondContact OG-CD1 3.46Å; S72-I75 VanDerWaalsContact OG-CG1 3.24Å; S72-I75 WeakPolarHBondContact OG-CG1 3.15Å; G73-I75 VanDerWaalsContact C-N 3.33Å; G73-I75 PolarHBondContact O-N 2.92Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.48Å; I75-C78 PolarHBondContact O-N 3.32Å; I75-R79 WeakPolarHBondContact O-CG 3.32Å; I75-R79 PolarHBondContact O-N 2.87Å; I75-Y138 HydrophobicContact CG1-CE2 4.08Å
76Q91.5Very high84.6Confident84 Ų8451.6 Ų51.639%0.39332%0.32SS..Hα-helixtrans-64.6-39.8176.3-173.7169-7.900111.8L68 G73 R79 A80L68-Q76 PolarHBondContact O-OE1 2.87Å; G73-Q76 PolarHBondContact O-N 2.76Å; Q76-R79 WeakPolarHBondContact O-CB 3.49Å; Q76-R79 PolarHBondContact O-N 3.48Å; Q76-A80 PolarHBondContact O-N 3.45Å
77A92.2Very high86.2Confident30 Ų3052.8 Ų52.825%0.24832%0.321CS..Hα-helixtrans-65.8-39.8174.200000112.2G73 Y74 I75 R79 A80 L81 W137G73-A77 PolarHBondContact O-N 2.94Å; Y74-A77 PolarHBondContact O-N 3.42Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 3.48Å; A77-R79 PolarHBondContact O-N 2.85Å; A77-A80 PolarHBondContact O-N 3.35Å; A77-L81 WeakPolarHBondContact O-CB 3.48Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 2.93Å; A77-W137 HydrophobicContact CB-CE3 4.3Å; A77-W137 HydrophobicContact CB-CH2 3.7Å; A77-W137 HydrophobicContact CB-CZ3 3.33Å
78C95.3Very high87.9Confident0 Ų049.6 Ų49.60%030%0.296CS..Hα-helixtrans-62.8-40.2173.9-67.60000112L48 Y74 I75 L81 M82 A134L48-C78 HydrophobicContact CD2-CB 4.26Å; Y74-C78 WeakPolarHBondContact O-CB 3.44Å; Y74-C78 PolarHBondContact O-N 3.34Å; Y74-C78 PolarHBondContact O-SG 3.4Å; I75-C78 PolarHBondContact O-N 3.32Å; C78-L81 PolarHBondContact O-N 2.99Å; C78-M82 WeakPolarHBondContact O-CB 3.5Å; C78-M82 VanDerWaalsContact O-CG 3.29Å; C78-M82 WeakPolarHBondContact O-CG 3.31Å; C78-M82 PolarHBondContact O-N 3.3Å; C78-A134 HydrophobicContact CB-CB 4.44Å; C78-A134 PolarHBondContact SG-O 2.93Å; C78-A134 VanDerWaalsContact SG-O 3.41Å
79R94.6Very high89.7Confident26 Ų2644.7 Ų44.710%0.09827%0.27CS..Hα-helixtrans-56.9-51.3172.3-73.4172.6178.4-173.10.7111.1L48 W49 I75 Q76 A77 L81 M82 I83L48-R79 HydrophobicContact CB-CG 3.91Å; L48-R79 HydrophobicContact CD2-CB 4.27Å; L48-R79 HydrophobicContact CD2-CG 3.73Å; L48-R79 HydrophobicContact CG-CG 4Å; L48-R79 PolarHBondContact O-NE 3.49Å; L48-R79 PolarHBondContact O-NH2 3.18Å; W49-R79 HydrophobicContact CH2-CB 4.23Å; W49-R79 HydrophobicContact CH2-CG 3.89Å; W49-R79 HydrophobicContact CZ2-CB 4.39Å; W49-R79 HydrophobicContact CZ2-CG 3.96Å; W49-R79 HydrophobicContact CZ3-CG 4.26Å; W49-R79 VanDerWaalsContact CZ3-CZ 3.49Å; I75-R79 WeakPolarHBondContact O-CG 3.32Å; I75-R79 PolarHBondContact O-N 2.87Å; Q76-R79 WeakPolarHBondContact O-CB 3.49Å; Q76-R79 PolarHBondContact O-N 3.48Å; A77-R79 PolarHBondContact O-N 2.85Å; R79-L81 PolarHBondContact O-N 3.29Å; R79-M82 PolarHBondContact O-N 3.26Å; R79-I83 WeakPolarHBondContact O-CB 3.39Å; R79-I83 WeakPolarHBondContact O-CD1 3.48Å; R79-I83 VanDerWaalsContact O-CG1 3.23Å; R79-I83 WeakPolarHBondContact O-CG1 3.48Å; R79-I83 PolarHBondContact O-N 2.92Å
80A95.4Very high91.6Very high53 Ų5341.6 Ų41.644%0.43825%0.25SC..Hα-helixtrans-59.3-49.6179.100000111.3Q76 A77 M82 I83 T84Q76-A80 PolarHBondContact O-N 3.45Å; A77-A80 PolarHBondContact O-N 3.35Å; A80-M82 PolarHBondContact O-N 3.34Å; A80-I83 PolarHBondContact O-N 3.06Å; A80-T84 WeakPolarHBondContact O-CB 3.44Å; A80-T84 PolarHBondContact O-N 2.98Å; A80-T84 PolarHBondContact O-OG1 2.92Å
81L97.6Very high93.5Very high45 Ų4541.7 Ų41.724%0.23624%0.239CC..Hα-helixtrans-60.7-43.3180-73.3170.9000112.9A77 C78 R79 A85 V133 A134 W137A77-L81 WeakPolarHBondContact O-CB 3.48Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 2.93Å; C78-L81 PolarHBondContact O-N 2.99Å; R79-L81 PolarHBondContact O-N 3.29Å; L81-A85 VanDerWaalsContact O-CB 3.29Å; L81-A85 WeakPolarHBondContact O-CB 2.96Å; L81-A85 PolarHBondContact O-N 3.31Å; L81-V133 HydrophobicContact CD1-CB 4.47Å; L81-V133 HydrophobicContact CD1-CG1 3.88Å; L81-A134 HydrophobicContact CB-CB 3.76Å; L81-A134 HydrophobicContact CD1-CB 4.16Å; L81-W137 HydrophobicContact CD1-CE3 4.43Å
82M98.1Very high94.7Very high0 Ų040.7 Ų40.70%023%0.234CC..Hα-helixtrans-67.3-42.3178.1-72.4-65-67.700112.3L20 T23 L24 W29 L48 C78 R79 A80 A85 I86 A134 I135L20-M82 HydrophobicContact CD2-CE 4.02Å; L20-M82 HydrophobicContact CD2-SD 4.46Å; T23-M82 HydrophobicContact CG2-CE 4.09Å; L24-M82 HydrophobicContact CB-CE 4.3Å; L24-M82 HydrophobicContact CD1-CB 3.88Å; W29-M82 HydrophobicContact CH2-CE 4.09Å; W29-M82 HydrophobicContact CH2-CG 3.86Å; W29-M82 HydrophobicContact CH2-SD 4.04Å; W29-M82 HydrophobicContact CZ2-CE 4.14Å; W29-M82 HydrophobicContact CZ2-CG 4.5Å; L48-M82 HydrophobicContact CD2-CG 4.37Å; C78-M82 WeakPolarHBondContact O-CB 3.5Å; C78-M82 VanDerWaalsContact O-CG 3.29Å; C78-M82 WeakPolarHBondContact O-CG 3.31Å; C78-M82 PolarHBondContact O-N 3.3Å; R79-M82 PolarHBondContact O-N 3.26Å; A80-M82 PolarHBondContact O-N 3.34Å; M82-A85 WeakPolarHBondContact O-CB 3.5Å; M82-A85 PolarHBondContact O-N 3.45Å; M82-I86 WeakPolarHBondContact O-CG1 3.4Å; M82-I86 PolarHBondContact O-N 3.18Å; M82-A134 HydrophobicContact CG-CB 3.88Å; M82-A134 HydrophobicContact SD-CB 3.97Å; M82-I135 HydrophobicContact SD-CD1 4.26Å; M82-I135 HydrophobicContact SD-CG1 4.36Å
83I98Very high95.6Very high70 Ų7040.1 Ų40.136%0.35923%0.227SC..Hα-helixtrans-63.4-46.9176.1-68.1166.3000109.8L24 W49 R79 A80 A85 I86 L87L24-I83 HydrophobicContact CD2-CG1 4.3Å; W49-I83 HydrophobicContact CH2-CD1 4.22Å; W49-I83 HydrophobicContact CZ2-CD1 4.19Å; R79-I83 WeakPolarHBondContact O-CB 3.39Å; R79-I83 WeakPolarHBondContact O-CD1 3.48Å; R79-I83 VanDerWaalsContact O-CG1 3.23Å; R79-I83 WeakPolarHBondContact O-CG1 3.48Å; R79-I83 PolarHBondContact O-N 2.92Å; A80-I83 PolarHBondContact O-N 3.06Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.1Å; I83-I86 PolarHBondContact O-N 3.04Å; I83-L87 HydrophobicContact CG2-CD1 4.04Å; I83-L87 HydrophobicContact CG2-CG 4.38Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.32Å
84T98.3Very high96.2Very high63 Ų6342.9 Ų42.939%0.38723%0.229SC..Hα-helixtrans-59.9-42.7175.8-60.50000111.3A80 I86 L87 L88A80-T84 WeakPolarHBondContact O-CB 3.44Å; A80-T84 PolarHBondContact O-N 2.98Å; A80-T84 PolarHBondContact O-OG1 2.92Å; T84-I86 VanDerWaalsContact C-N 3.34Å; T84-I86 PolarHBondContact O-N 3.46Å; T84-L87 PolarHBondContact O-N 3.27Å; T84-L88 HydrophobicContact CG2-CD1 3.78Å; T84-L88 HydrophobicContact CG2-CG 4.18Å; T84-L88 WeakPolarHBondContact O-CB 3.27Å; T84-L88 VanDerWaalsContact O-CG 3.23Å; T84-L88 WeakPolarHBondContact O-CG 3.2Å; T84-L88 PolarHBondContact O-N 3.38Å
85A98.4Very high96.5Very high0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-57.4-46.8175.900000111.9L20 L81 M82 I83 L88 G89 A127 C130L20-A85 HydrophobicContact CD1-CB 4.4Å; L81-A85 VanDerWaalsContact O-CB 3.29Å; L81-A85 WeakPolarHBondContact O-CB 2.96Å; L81-A85 PolarHBondContact O-N 3.31Å; M82-A85 WeakPolarHBondContact O-CB 3.5Å; M82-A85 PolarHBondContact O-N 3.45Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.1Å; A85-L88 PolarHBondContact O-N 3.23Å; A85-G89 PolarHBondContact O-N 3.43Å; A85-A127 VanDerWaalsContact CB-O 3.25Å; A85-A127 WeakPolarHBondContact CB-O 3.13Å; A85-A127 WeakPolarHBondContact O-CB 3.32Å; A85-C130 HydrophobicContact CB-CB 3.82Å
86I98.4Very high96.6Very high22 Ų2243.5 Ų43.511%0.11323%0.234CC..Hα-helixtrans-64.6-45.2178.8-69.5165.9000111L17 L20 L24 M82 I83 T84 L88 G89 F90L17-I86 HydrophobicContact CD1-CG2 4.27Å; L20-I86 HydrophobicContact CB-CG1 4.28Å; L24-I86 HydrophobicContact CB-CD1 4Å; L24-I86 HydrophobicContact CD2-CD1 3.58Å; L24-I86 HydrophobicContact CG-CD1 4.42Å; M82-I86 WeakPolarHBondContact O-CG1 3.4Å; M82-I86 PolarHBondContact O-N 3.18Å; I83-I86 PolarHBondContact O-N 3.04Å; T84-I86 VanDerWaalsContact C-N 3.34Å; T84-I86 PolarHBondContact O-N 3.46Å; I86-L88 PolarHBondContact O-N 2.79Å; I86-G89 PolarHBondContact O-N 2.83Å; I86-F90 HydrophobicContact CG2-CD2 3.56Å; I86-F90 HydrophobicContact CG2-CE2 3.5Å; I86-F90 VanDerWaalsContact O-CD2 3.26Å; I86-F90 WeakPolarHBondContact O-CD2 3.29Å; I86-F90 PolarHBondContact O-N 3.45Å
87L98.6Very high96.7Very high110 Ų11042.9 Ų42.958%0.57623%0.233SC*.Hα-helixtrans-61.8-44.4178.4-69.5176.2000112.3I83 T84 F90 L91I83-L87 HydrophobicContact CG2-CD1 4.04Å; I83-L87 HydrophobicContact CG2-CG 4.38Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.32Å; T84-L87 PolarHBondContact O-N 3.27Å; L87-F90 PolarHBondContact O-N 2.91Å; L87-L91 PolarHBondContact O-N 3.46Å
88L98.4Very high96.7Very high29 Ų2942.7 Ų42.715%0.15223%0.231CC..Hα-helixtrans-63.3-42.6175.3-68.6170.9000111.1T84 A85 I86 L91 G92 F123 L126 A127T84-L88 HydrophobicContact CG2-CD1 3.78Å; T84-L88 HydrophobicContact CG2-CG 4.18Å; T84-L88 WeakPolarHBondContact O-CB 3.27Å; T84-L88 VanDerWaalsContact O-CG 3.23Å; T84-L88 WeakPolarHBondContact O-CG 3.2Å; T84-L88 PolarHBondContact O-N 3.38Å; A85-L88 PolarHBondContact O-N 3.23Å; I86-L88 PolarHBondContact O-N 2.79Å; L88-L91 PolarHBondContact O-N 2.93Å; L88-G92 PolarHBondContact O-N 2.9Å; L88-F123 HydrophobicContact CD2-CD1 3.71Å; L88-F123 HydrophobicContact CD2-CE1 3.93Å; L88-L126 HydrophobicContact CD1-CB 4.28Å; L88-L126 HydrophobicContact CD1-CD2 3.68Å; L88-L126 HydrophobicContact CD1-CG 3.68Å; L88-L126 HydrophobicContact CD2-CD2 4.29Å; L88-A127 HydrophobicContact CB-CB 4Å
89G98.2Very high96.3Very high1 Ų142.7 Ų42.71%0.0123%0.232CC..Hα-helixtrans-64.6-38.4176.900000112.9A85 I86 G92 L93 H124A85-G89 PolarHBondContact O-N 3.43Å; I86-G89 PolarHBondContact O-N 2.83Å; G89-G92 PolarHBondContact O-N 3.42Å; G89-L93 WeakPolarHBondContact O-CB 3.17Å; G89-L93 PolarHBondContact O-N 2.95Å; G89-H124 PolarHBondContact O-CE1 3Å; G89-H124 VanDerWaalsContact O-CE1 3.25Å
90F98.4Very high96Very high113 Ų11342.2 Ų42.250%0.49623%0.231SC..Hα-helixtrans-63.4-44.5172.4-90.1-69.8000112.1L17 I86 L87 G92 L93 L94L17-F90 HydrophobicContact CD1-CD2 4.16Å; L17-F90 HydrophobicContact CD1-CE2 4.35Å; L17-F90 HydrophobicContact CD2-CD1 4.07Å; L17-F90 HydrophobicContact CD2-CD2 4.41Å; L17-F90 HydrophobicContact CD2-CE1 4.31Å; L17-F90 HydrophobicContact CD2-CG 4.12Å; I86-F90 HydrophobicContact CG2-CD2 3.56Å; I86-F90 HydrophobicContact CG2-CE2 3.5Å; I86-F90 VanDerWaalsContact O-CD2 3.26Å; I86-F90 WeakPolarHBondContact O-CD2 3.29Å; I86-F90 PolarHBondContact O-N 3.45Å; L87-F90 PolarHBondContact O-N 2.91Å; F90-G92 VanDerWaalsContact C-N 3.32Å; F90-G92 PolarHBondContact O-N 2.92Å; F90-L93 WeakPolarHBondContact O-CB 3.24Å; F90-L93 PolarHBondContact O-N 3.25Å; F90-L94 WeakPolarHBondContact O-CG 3.32Å; F90-L94 PolarHBondContact O-N 3.35Å
91L98.1Very high95.4Very high75 Ų7544 Ų4439%0.39323%0.226SC..Hα-helixtrans-61.9-42.4175.4-178.458.6000111.3L87 L88 L93 L94 L95 F123L87-L91 PolarHBondContact O-N 3.46Å; L88-L91 PolarHBondContact O-N 2.93Å; L91-L93 PolarHBondContact O-N 2.9Å; L91-L94 PolarHBondContact O-N 3.25Å; L91-L95 HydrophobicContact CD1-CD1 4.31Å; L91-L95 HydrophobicContact CD1-CG 4.43Å; L91-L95 HydrophobicContact CG-CD1 4.17Å; L91-L95 VanDerWaalsContact O-CG 3.32Å; L91-L95 WeakPolarHBondContact O-CG 3.25Å; L91-L95 PolarHBondContact O-N 3.39Å; L91-F123 HydrophobicContact CD2-CD1 4.2Å; L91-F123 HydrophobicContact CD2-CD2 4.4Å; L91-F123 HydrophobicContact CD2-CE1 3.67Å; L91-F123 HydrophobicContact CD2-CE2 3.89Å; L91-F123 HydrophobicContact CD2-CZ 3.49Å; L91-F123 VanDerWaalsContact CD2-CZ 3.49Å; L91-F123 HydrophobicContact CG-CD2 4.29Å; L91-F123 HydrophobicContact CG-CE1 4.49Å; L91-F123 HydrophobicContact CG-CE2 4.11Å; L91-F123 HydrophobicContact CG-CZ 4.22Å
92G97.6Very high94.7Very high0 Ų046.8 Ų46.80%025%0.248CC..Hα-helixtrans-57.5-45.4172.800000112.4L88 G89 F90 L94 L95 G96 A120L88-G92 PolarHBondContact O-N 2.9Å; G89-G92 PolarHBondContact O-N 3.42Å; F90-G92 VanDerWaalsContact C-N 3.32Å; F90-G92 PolarHBondContact O-N 2.92Å; G92-L94 PolarHBondContact O-N 2.97Å; G92-L95 PolarHBondContact O-N 3.43Å; G92-G96 PolarHBondContact O-N 3.04Å; G92-A120 VanDerWaalsContact O-CB 3.23Å; G92-A120 WeakPolarHBondContact O-CB 3.26Å
93L97.6Very high93.9Very high35 Ų3548.4 Ų48.418%0.18326%0.258CS..Hα-helixtrans-61-46.9178.7-175.771.9000111.8F10 A14 L17 G89 F90 L91 G96 I97 H124F10-L93 HydrophobicContact CE2-CD1 3.71Å; F10-L93 HydrophobicContact CZ-CD1 3.63Å; A14-L93 HydrophobicContact CB-CD1 3.83Å; L17-L93 HydrophobicContact CD2-CB 4.24Å; L17-L93 HydrophobicContact CD2-CD2 4.09Å; G89-L93 WeakPolarHBondContact O-CB 3.17Å; G89-L93 PolarHBondContact O-N 2.95Å; F90-L93 WeakPolarHBondContact O-CB 3.24Å; F90-L93 PolarHBondContact O-N 3.25Å; L91-L93 PolarHBondContact O-N 2.9Å; L93-G96 PolarHBondContact O-N 3.47Å; L93-I97 HydrophobicContact CG-CD1 4.35Å; L93-I97 WeakPolarHBondContact O-CG1 3.16Å; L93-I97 PolarHBondContact O-N 3.37Å; L93-H124 PolarHBondContact N-NE2 3.1Å
94L96.6Very high93Very high114 Ų11451.5 Ų51.560%0.59728%0.275SS*.Hα-helixtrans-62.3-44.4179.2-66.6176000111.8F90 L91 G92 G96 I97 A98F90-L94 WeakPolarHBondContact O-CG 3.32Å; F90-L94 PolarHBondContact O-N 3.35Å; L91-L94 PolarHBondContact O-N 3.25Å; G92-L94 PolarHBondContact O-N 2.97Å; L94-G96 VanDerWaalsContact C-N 3.31Å; L94-I97 PolarHBondContact O-N 2.87Å; L94-A98 PolarHBondContact O-N 3.09Å
95L94.8Very high92Very high41 Ų4152.6 Ų52.622%0.21528%0.278CS..Hα-helixtrans-65.5-36.8175.3-68.3172.5000111.6L91 G92 A98 G99 L116 A120 F123L91-L95 HydrophobicContact CD1-CD1 4.31Å; L91-L95 HydrophobicContact CD1-CG 4.43Å; L91-L95 HydrophobicContact CG-CD1 4.17Å; L91-L95 VanDerWaalsContact O-CG 3.32Å; L91-L95 WeakPolarHBondContact O-CG 3.25Å; L91-L95 PolarHBondContact O-N 3.39Å; G92-L95 PolarHBondContact O-N 3.43Å; L95-A98 PolarHBondContact O-N 2.88Å; L95-G99 PolarHBondContact O-N 2.85Å; L95-L116 HydrophobicContact CD2-CD2 4.03Å; L95-A120 HydrophobicContact CB-CB 3.87Å; L95-F123 HydrophobicContact CD1-CD2 3.54Å; L95-F123 HydrophobicContact CD1-CE2 3.44Å; L95-F123 VanDerWaalsContact CD1-CE2 3.44Å
96G93.6Very high90.8Very high3 Ų356.2 Ų56.23%0.03132%0.315CS..Hα-helixtrans-61.8-48175.800000111.7G92 L93 L94 A98 G99 L100G92-G96 PolarHBondContact O-N 3.04Å; L93-G96 PolarHBondContact O-N 3.47Å; L94-G96 VanDerWaalsContact C-N 3.31Å; G96-A98 VanDerWaalsContact C-N 3.27Å; G96-A98 PolarHBondContact O-N 3.48Å; G96-G99 PolarHBondContact O-N 3.48Å; G96-L100 VanDerWaalsContact O-CG 3.31Å; G96-L100 WeakPolarHBondContact O-CG 3.34Å; G96-L100 PolarHBondContact O-N 3.38Å
97I93.6Very high89.8Confident70 Ų7057.9 Ų57.936%0.35934%0.338SS..Hα-helixtrans-55.8-44.4176.4-67.9166.2000110.8F10 L93 L94 T103F10-I97 HydrophobicContact CE2-CG1 3.92Å; F10-I97 HydrophobicContact CZ-CD1 4.49Å; F10-I97 HydrophobicContact CZ-CG1 3.61Å; L93-I97 HydrophobicContact CG-CD1 4.35Å; L93-I97 WeakPolarHBondContact O-CG1 3.16Å; L93-I97 PolarHBondContact O-N 3.37Å; L94-I97 PolarHBondContact O-N 2.87Å; I97-T103 WeakPolarHBondContact O-CB 3.41Å; I97-T103 VanDerWaalsContact O-CG2 3.3Å; I97-T103 WeakPolarHBondContact O-CG2 3.43Å; I97-T103 PolarHBondContact O-OG1 2.93Å
98A91.3Very high89Confident26 Ų2654.6 Ų54.622%0.21532%0.321CS..Hα-helixtrans-73-27.6178.100000114.1L94 L95 G96 I105 L116L94-A98 PolarHBondContact O-N 3.09Å; L95-A98 PolarHBondContact O-N 2.88Å; G96-A98 VanDerWaalsContact C-N 3.27Å; G96-A98 PolarHBondContact O-N 3.48Å; A98-I105 HydrophobicContact CB-CD1 4.32Å; A98-L116 HydrophobicContact CB-CD1 4.33Å
99G87.6Confident88.4Confident1 Ų160.1 Ų60.11%0.0135%0.346CS..Hα-helixtrans-86.5-16.5-178.900000114.7L95 G96 K113L95-G99 PolarHBondContact O-N 2.85Å; G96-G99 PolarHBondContact O-N 3.48Å; G99-K113 WeakPolarHBondContact O-CB 3.45Å
100L88.1Confident87.8Confident15 Ų1564.5 Ų64.58%0.07937%0.368CS..  trans-63.2136.2179.7-81.4168.3000112.1E6 F10 G96 C102 T103E6-L100 HydrophobicContact CG-CD2 4.04Å; E6-L100 VanDerWaalsContact OE1-CA 3.29Å; E6-L100 WeakPolarHBondContact OE1-CA 3.46Å; F10-L100 HydrophobicContact CB-CD2 4.23Å; F10-L100 HydrophobicContact CD1-CD1 3.93Å; F10-L100 HydrophobicContact CD2-CD1 4.06Å; F10-L100 HydrophobicContact CD2-CG 4.47Å; F10-L100 HydrophobicContact CE1-CD1 4.07Å; F10-L100 HydrophobicContact CE2-CD1 4.2Å; F10-L100 HydrophobicContact CG-CD1 3.92Å; F10-L100 HydrophobicContact CG-CD2 4.4Å; F10-L100 HydrophobicContact CG-CG 4.46Å; F10-L100 HydrophobicContact CZ-CD1 4.21Å; G96-L100 VanDerWaalsContact O-CG 3.31Å; G96-L100 WeakPolarHBondContact O-CG 3.34Å; G96-L100 PolarHBondContact O-N 3.38Å; L100-C102 VanDerWaalsContact C-N 3.27Å; L100-C102 PolarHBondContact O-N 2.87Å; L100-T103 PolarHBondContact O-N 3.26Å; L100-T103 VanDerWaalsContact O-N 3.13Å
101R82.7Confident87.2Confident92 Ų9263.5 Ų63.535%0.34738%0.375SS..THydrogen-bonded Turntrans-60.4-34.9177.2-70.2-178.5-176-144.1-4.9113.5E6 T103 L110E6-R101 PolarHBondContact OE1-N 2.87Å; E6-R101 IonicContact OE2-NE 3.34Å; E6-R101 PolarHBondContact OE2-NE 3.37Å; R101-T103 VanDerWaalsContact C-N 3.27Å; R101-T103 PolarHBondContact O-N 3.4Å; R101-L110 HydrophobicContact CG-CD1 3.96Å
102C81.9Confident86.7Confident103 Ų10367.5 Ų67.570%0.69639%0.385SS*.THydrogen-bonded Turntrans-74.3-14.7179.255.50000113.7L100L100-C102 VanDerWaalsContact C-N 3.27Å; L100-C102 PolarHBondContact O-N 2.87Å
103T82.1Confident86.3Confident33 Ų3368.6 Ų68.620%0.20239%0.39CS..  trans-90.3121.9179.4-52.30000110.4I97 L100 R101 I105 K113I97-T103 WeakPolarHBondContact O-CB 3.41Å; I97-T103 VanDerWaalsContact O-CG2 3.3Å; I97-T103 WeakPolarHBondContact O-CG2 3.43Å; I97-T103 PolarHBondContact O-OG1 2.93Å; L100-T103 PolarHBondContact O-N 3.26Å; L100-T103 VanDerWaalsContact O-N 3.13Å; R101-T103 VanDerWaalsContact C-N 3.27Å; R101-T103 PolarHBondContact O-N 3.4Å; T103-I105 HydrophobicContact CG2-CD1 3.48Å; T103-I105 VanDerWaalsContact CG2-CD1 3.48Å; T103-I105 HydrophobicContact CG2-CG1 3.72Å; T103-K113 PolarHBondContact O-NZ 2.83Å
104N78.6Confident85.8Confident135 Ų13568.2 Ų68.272%0.72239%0.391SS*.  trans-99.583173.7-169.618.7000111.1
105I77.6Confident85.5Confident87 Ų8770.1 Ų70.145%0.44640%0.395SS..SBendtrans-103116.9169.9-70.1159.6000107.9A98 T103 G107 L108A98-I105 HydrophobicContact CB-CD1 4.32Å; T103-I105 HydrophobicContact CG2-CD1 3.48Å; T103-I105 VanDerWaalsContact CG2-CD1 3.48Å; T103-I105 HydrophobicContact CG2-CG1 3.72Å; I105-G107 VanDerWaalsContact C-N 3.27Å; I105-G107 PolarHBondContact O-N 3.32Å; I105-G107 VanDerWaalsContact O-N 3.1Å; I105-L108 WeakPolarHBondContact O-CD1 3.35Å
106G74Confident85.5Confident75 Ų7569.9 Ų69.977%0.77339%0.394SS*.THydrogen-bonded Turntrans61.421.416700000116.9L108G106-L108 VanDerWaalsContact C-N 3.28Å; G106-L108 PolarHBondContact O-N 3.25Å
107G76.3Confident85.4Confident57 Ų5769.9 Ų69.959%0.58839%0.393SS*.THydrogen-bonded Turntrans62.130.517700000114.4I105 E109I105-G107 VanDerWaalsContact C-N 3.27Å; I105-G107 PolarHBondContact O-N 3.32Å; I105-G107 VanDerWaalsContact O-N 3.1Å; G107-E109 PolarHBondContact O-N 3.4Å
108L82.6Confident85.3Confident42 Ų4267 Ų6722%0.2238%0.38CS..  trans-60.7133.8-177.7-95.373.8000112.7I105 G106 R112 K113 L116I105-L108 WeakPolarHBondContact O-CD1 3.35Å; G106-L108 VanDerWaalsContact C-N 3.28Å; G106-L108 PolarHBondContact O-N 3.25Å; L108-R112 HydrophobicContact CD2-CB 4.41Å; L108-R112 HydrophobicContact CD2-CG 3.89Å; L108-K113 HydrophobicContact CB-CG 4.05Å; L108-K113 WeakPolarHBondContact O-CE 3.46Å; L108-L116 HydrophobicContact CD2-CD1 3.67Å
109E86.3Confident85.5Confident145 Ų14568.7 Ų68.768%0.67839%0.388SS*.  trans-54.2143.8170.2-70.3-60.1144.100112.5G107 S111 R112 K113G107-E109 PolarHBondContact O-N 3.4Å; E109-S111 PolarHBondContact O-N 3.05Å; E109-R112 WeakPolarHBondContact O-CB 3.46Å; E109-R112 PolarHBondContact O-N 3.48Å; E109-K113 PolarHBondContact O-N 2.95Å
110L84.6Confident85.9Confident92 Ų9268.6 Ų68.648%0.48239%0.387SS..Hα-helixtrans-58.2-36.4-176.9-168.369.4000112.3R101 R112 K113 A114R101-L110 HydrophobicContact CG-CD1 3.96Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.2Å; L110-K113 PolarHBondContact O-N 2.98Å; L110-A114 WeakPolarHBondContact O-CB 3.36Å; L110-A114 PolarHBondContact O-N 3Å
111S85.7Confident86.3Confident92 Ų9267.9 Ų67.964%0.64338%0.384SS*.Hα-helixtrans-63.1-34.7176-58.20000112.7E109 K115E109-S111 PolarHBondContact O-N 3.05Å; S111-K115 WeakPolarHBondContact O-CG 3.31Å; S111-K115 PolarHBondContact O-N 3.48Å
112R88.3Confident87Confident160 Ų16066 Ų6660%0.60439%0.388SS*.Hα-helixtrans-76.1-39.8177.3-169.6174175.9178.71.2110.9L108 E109 L110 A114 K115 L116L108-R112 HydrophobicContact CD2-CB 4.41Å; L108-R112 HydrophobicContact CD2-CG 3.89Å; E109-R112 WeakPolarHBondContact O-CB 3.46Å; E109-R112 PolarHBondContact O-N 3.48Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.2Å; R112-A114 VanDerWaalsContact C-N 3.34Å; R112-A114 PolarHBondContact O-N 3.42Å; R112-K115 PolarHBondContact O-N 3.23Å; R112-L116 WeakPolarHBondContact O-CG 3.44Å; R112-L116 PolarHBondContact O-N 3.46Å
113K88.4Confident87.8Confident23 Ų2364 Ų6410%0.137%0.367CS..Hα-helixtrans-58.3-44.8172.3-68.6-167.4-177-169.80111.8G99 T103 L108 E109 L110 K115 L116 A117G99-K113 WeakPolarHBondContact O-CB 3.45Å; T103-K113 PolarHBondContact O-NZ 2.83Å; L108-K113 HydrophobicContact CB-CG 4.05Å; L108-K113 WeakPolarHBondContact O-CE 3.46Å; E109-K113 PolarHBondContact O-N 2.95Å; L110-K113 PolarHBondContact O-N 2.98Å; K113-K115 PolarHBondContact O-N 3.27Å; K113-L116 PolarHBondContact O-N 3.45Å; K113-A117 PolarHBondContact O-N 2.9Å
114A88.1Confident88.6Confident26 Ų2662.5 Ų62.522%0.21536%0.358CS..Hα-helixtrans-60.9-40.9176.100000112.9L110 R112 A117 A118L110-A114 WeakPolarHBondContact O-CB 3.36Å; L110-A114 PolarHBondContact O-N 3Å; R112-A114 VanDerWaalsContact C-N 3.34Å; R112-A114 PolarHBondContact O-N 3.42Å; A114-A117 PolarHBondContact O-N 3.3Å; A114-A118 WeakPolarHBondContact O-CB 3.49Å; A114-A118 PolarHBondContact O-N 3.24Å
115K90.3Very high89.5Confident154 Ų15457.8 Ų57.867%0.6733%0.332SS*.Hα-helixtrans-63.7-42.5174.1-72.9178.7-179.1-1760112S111 R112 K113 A118 T119S111-K115 WeakPolarHBondContact O-CG 3.31Å; S111-K115 PolarHBondContact O-N 3.48Å; R112-K115 PolarHBondContact O-N 3.23Å; K113-K115 PolarHBondContact O-N 3.27Å; K115-A118 PolarHBondContact O-N 3.48Å; K115-T119 WeakPolarHBondContact O-CG2 3.46Å; K115-T119 PolarHBondContact O-N 2.97Å; K115-T119 PolarHBondContact O-OG1 3.31Å
116L93.1Very high90.5Very high37 Ų3757.6 Ų57.619%0.19433%0.332CS..Hα-helixtrans-63.9-41.3176.1-70.2171.9000112.2L95 A98 L108 R112 K113 A118 T119 A120L95-L116 HydrophobicContact CD2-CD2 4.03Å; A98-L116 HydrophobicContact CB-CD1 4.33Å; L108-L116 HydrophobicContact CD2-CD1 3.67Å; R112-L116 WeakPolarHBondContact O-CG 3.44Å; R112-L116 PolarHBondContact O-N 3.46Å; K113-L116 PolarHBondContact O-N 3.45Å; L116-A118 VanDerWaalsContact C-N 3.34Å; L116-T119 WeakPolarHBondContact CA-OG1 3.36Å; L116-T119 PolarHBondContact O-N 2.86Å; L116-T119 PolarHBondContact O-OG1 3.37Å; L116-A120 VanDerWaalsContact O-CB 3.28Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 3.25Å
117A92.5Very high91.7Very high2 Ų254.1 Ų54.12%0.01730%0.295CS..Hα-helixtrans-64-40.3174.800000111.6M1 K113 A114 A120 G121M1-A117 HydrophobicContact CE-CB 4.38Å; K113-A117 PolarHBondContact O-N 2.9Å; A114-A117 PolarHBondContact O-N 3.3Å; A117-A120 WeakPolarHBondContact O-CB 3.4Å; A117-A120 PolarHBondContact O-N 2.84Å; A117-G121 PolarHBondContact O-N 3.49Å
118A92.5Very high92.8Very high11 Ų1151.4 Ų51.49%0.09127%0.268CS..Hα-helixtrans-66.8-41.3176.400000112.8A114 K115 L116 G121 A122 C180 C183A114-A118 WeakPolarHBondContact O-CB 3.49Å; A114-A118 PolarHBondContact O-N 3.24Å; K115-A118 PolarHBondContact O-N 3.48Å; L116-A118 VanDerWaalsContact C-N 3.34Å; A118-G121 PolarHBondContact O-N 3.47Å; A118-A122 PolarHBondContact O-N 3.07Å; A118-C180 PolarHBondContact O-SG 3.42Å; A118-C180 VanDerWaalsContact O-SG 3.37Å; A118-C183 WeakPolarHBondContact CB-SG 3.38Å
119T95.1Very high93.5Very high60 Ų6053.1 Ų53.137%0.36828%0.276SS..Hα-helixtrans-67.3-39.3175.456.50000111.5K115 L116 G121 A122 F123K115-T119 WeakPolarHBondContact O-CG2 3.46Å; K115-T119 PolarHBondContact O-N 2.97Å; K115-T119 PolarHBondContact O-OG1 3.31Å; L116-T119 WeakPolarHBondContact CA-OG1 3.36Å; L116-T119 PolarHBondContact O-N 2.86Å; L116-T119 PolarHBondContact O-OG1 3.37Å; T119-G121 VanDerWaalsContact C-N 3.32Å; T119-G121 PolarHBondContact O-N 2.89Å; T119-A122 PolarHBondContact O-N 3.13Å; T119-F123 WeakPolarHBondContact O-CD2 3.29Å; T119-F123 PolarHBondContact O-N 3.49Å
120A96.4Very high94.1Very high0 Ų047.1 Ų47.10%025%0.25CS..Hα-helixtrans-56.6-46.3171.400000111.8G92 L95 L116 A117 A122 F123 H124G92-A120 VanDerWaalsContact O-CB 3.23Å; G92-A120 WeakPolarHBondContact O-CB 3.26Å; L95-A120 HydrophobicContact CB-CB 3.87Å; L116-A120 VanDerWaalsContact O-CB 3.28Å; L116-A120 WeakPolarHBondContact O-CB 3.39Å; L116-A120 PolarHBondContact O-N 3.25Å; A117-A120 WeakPolarHBondContact O-CB 3.4Å; A117-A120 PolarHBondContact O-N 2.84Å; A120-A122 PolarHBondContact O-N 2.67Å; A120-F123 PolarHBondContact O-N 2.9Å; A120-H124 PolarHBondContact O-CD2 3.35Å; A120-H124 VanDerWaalsContact O-CD2 3.23Å; A120-H124 PolarHBondContact O-N 2.91Å
121G96.5Very high94.8Very high0 Ų042.8 Ų42.80%023%0.227CC..Hα-helixtrans-58.9-44.2175.800000112.9A117 A118 T119 F123 H124 I125 G176 C180A117-G121 PolarHBondContact O-N 3.49Å; A118-G121 PolarHBondContact O-N 3.47Å; T119-G121 VanDerWaalsContact C-N 3.32Å; T119-G121 PolarHBondContact O-N 2.89Å; G121-F123 VanDerWaalsContact C-N 3.34Å; G121-F123 PolarHBondContact O-N 3.43Å; G121-H124 PolarHBondContact O-N 3.32Å; G121-I125 WeakPolarHBondContact O-CG1 3.45Å; G121-I125 PolarHBondContact O-N 3.27Å; G121-G176 WeakPolarHBondContact CA-O 3.39Å; G121-G176 WeakPolarHBondContact O-CA 3.19Å; G121-C180 VanDerWaalsContact CA-SG 3.59Å
122A97.4Very high95.4Very high53 Ų5340.1 Ų40.144%0.43821%0.205SC..Hα-helixtrans-61.8-41.2177.600000112.1A118 T119 A120 I125 L126 C180A118-A122 PolarHBondContact O-N 3.07Å; T119-A122 PolarHBondContact O-N 3.13Å; A120-A122 PolarHBondContact O-N 2.67Å; A122-I125 PolarHBondContact O-N 3.27Å; A122-L126 WeakPolarHBondContact O-CB 3.34Å; A122-L126 PolarHBondContact O-N 3.22Å; A122-C180 PolarHBondContact N-SG 3.05Å
123F98.3Very high95.9Very high61 Ų6135.9 Ų35.927%0.26820%0.197SC..Hα-helixtrans-62.7-41174.3-79.5-61000112.6L88 L91 L95 T119 A120 G121 L126 A127L88-F123 HydrophobicContact CD2-CD1 3.71Å; L88-F123 HydrophobicContact CD2-CE1 3.93Å; L91-F123 HydrophobicContact CD2-CD1 4.2Å; L91-F123 HydrophobicContact CD2-CD2 4.4Å; L91-F123 HydrophobicContact CD2-CE1 3.67Å; L91-F123 HydrophobicContact CD2-CE2 3.89Å; L91-F123 HydrophobicContact CD2-CZ 3.49Å; L91-F123 VanDerWaalsContact CD2-CZ 3.49Å; L91-F123 HydrophobicContact CG-CD2 4.29Å; L91-F123 HydrophobicContact CG-CE1 4.49Å; L91-F123 HydrophobicContact CG-CE2 4.11Å; L91-F123 HydrophobicContact CG-CZ 4.22Å; L95-F123 HydrophobicContact CD1-CD2 3.54Å; L95-F123 HydrophobicContact CD1-CE2 3.44Å; L95-F123 VanDerWaalsContact CD1-CE2 3.44Å; T119-F123 WeakPolarHBondContact O-CD2 3.29Å; T119-F123 PolarHBondContact O-N 3.49Å; A120-F123 PolarHBondContact O-N 2.9Å; G121-F123 VanDerWaalsContact C-N 3.34Å; G121-F123 PolarHBondContact O-N 3.43Å; F123-L126 PolarHBondContact O-N 3.35Å; F123-A127 VanDerWaalsContact O-CB 3.24Å; F123-A127 WeakPolarHBondContact O-CB 3.3Å; F123-A127 PolarHBondContact O-N 3.34Å
124H98.3Very high96.3Very high1 Ų134.8 Ų34.81%0.00519%0.192CC..Hα-helixtrans-68.6-35.7176.3-79.3-68.2000113.5A13 G89 L93 A120 G121 G128A13-H124 HydrophobicContact CB-CB 4.22Å; G89-H124 PolarHBondContact O-CE1 3Å; G89-H124 VanDerWaalsContact O-CE1 3.25Å; L93-H124 PolarHBondContact N-NE2 3.1Å; A120-H124 PolarHBondContact O-CD2 3.35Å; A120-H124 VanDerWaalsContact O-CD2 3.23Å; A120-H124 PolarHBondContact O-N 2.91Å; G121-H124 PolarHBondContact O-N 3.32Å; H124-G128 PolarHBondContact O-N 2.85Å
125I98.5Very high96.8Very high36 Ų3633.6 Ų33.619%0.18518%0.182CC..Hα-helixtrans-63.3-49.4172.2-67.6165.6000109.9G121 A122 A127 G128 I129 L177 C180G121-I125 WeakPolarHBondContact O-CG1 3.45Å; G121-I125 PolarHBondContact O-N 3.27Å; A122-I125 PolarHBondContact O-N 3.27Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.19Å; I125-G128 PolarHBondContact O-N 3.47Å; I125-I129 HydrophobicContact CG2-CD1 3.78Å; I125-I129 HydrophobicContact CG2-CG1 4.44Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 PolarHBondContact O-N 2.87Å; I125-L177 HydrophobicContact CD1-CD2 3.8Å; I125-L177 HydrophobicContact CD1-CG 4.12Å; I125-L177 HydrophobicContact CG1-CG 4.41Å; I125-C180 HydrophobicContact CD1-CB 4.48Å
126L98.4Very high97.2Very high83 Ų8328 Ų2844%0.43516%0.162SC..Hα-helixtrans-62.7-42.5179.7-173.761.6000111.5L88 A122 F123 G128 I129 C130L88-L126 HydrophobicContact CD1-CB 4.28Å; L88-L126 HydrophobicContact CD1-CD2 3.68Å; L88-L126 HydrophobicContact CD1-CG 3.68Å; L88-L126 HydrophobicContact CD2-CD2 4.29Å; A122-L126 WeakPolarHBondContact O-CB 3.34Å; A122-L126 PolarHBondContact O-N 3.22Å; F123-L126 PolarHBondContact O-N 3.35Å; L126-G128 PolarHBondContact O-N 2.79Å; L126-I129 PolarHBondContact O-N 3.03Å; L126-C130 PolarHBondContact O-N 2.98Å; L126-C130 PolarHBondContact O-SG 2.71Å; L126-C130 VanDerWaalsContact O-SG 3.35Å
127A98.6Very high97.4Very high1 Ų131.3 Ų31.31%0.00817%0.172CC..Hα-helixtrans-56.7-49.1173.400000111.8A85 L88 F123 I125 I129 C130 G131A85-A127 VanDerWaalsContact CB-O 3.25Å; A85-A127 WeakPolarHBondContact CB-O 3.13Å; A85-A127 WeakPolarHBondContact O-CB 3.32Å; L88-A127 HydrophobicContact CB-CB 4Å; F123-A127 VanDerWaalsContact O-CB 3.24Å; F123-A127 WeakPolarHBondContact O-CB 3.3Å; F123-A127 PolarHBondContact O-N 3.34Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.19Å; A127-I129 PolarHBondContact O-N 2.92Å; A127-C130 PolarHBondContact O-N 3.46Å; A127-G131 PolarHBondContact O-N 3.12Å
128G98.5Very high97.6Very high0 Ų031.2 Ų31.20%017%0.171CC..Hα-helixtrans-62.6-40.4178.600000112.9H124 I125 L126 G131 M132 S169H124-G128 PolarHBondContact O-N 2.85Å; I125-G128 PolarHBondContact O-N 3.47Å; L126-G128 PolarHBondContact O-N 2.79Å; G128-G131 PolarHBondContact O-N 3.16Å; G128-M132 VanDerWaalsContact O-CB 3.29Å; G128-M132 WeakPolarHBondContact O-CB 3.42Å; G128-M132 PolarHBondContact O-N 3.29Å; G128-S169 VanDerWaalsContact O-CB 3.27Å; G128-S169 WeakPolarHBondContact O-CB 3.15Å; G128-S169 PolarHBondContact O-OG 2.89Å
129I98.8Very high97.8Very high79 Ų7931.3 Ų31.341%0.40517%0.172SC..Hα-helixtrans-63.1-46.8174.4-68.2167.6000110.9I125 L126 A127 G131 M132 V133 I173I125-I129 HydrophobicContact CG2-CD1 3.78Å; I125-I129 HydrophobicContact CG2-CG1 4.44Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 PolarHBondContact O-N 2.87Å; L126-I129 PolarHBondContact O-N 3.03Å; A127-I129 PolarHBondContact O-N 2.92Å; I129-G131 VanDerWaalsContact C-N 3.34Å; I129-G131 PolarHBondContact O-N 3.08Å; I129-M132 WeakPolarHBondContact O-CB 3.47Å; I129-M132 PolarHBondContact O-N 3.33Å; I129-M132 VanDerWaalsContact O-N 3.13Å; I129-V133 HydrophobicContact CG2-CG2 4.35Å; I129-V133 WeakPolarHBondContact O-CG2 3.34Å; I129-V133 PolarHBondContact O-N 2.77Å; I129-I173 HydrophobicContact CG1-CD1 4.28Å
130C98.4Very high97.9Very high19 Ų1934.4 Ų34.413%0.12818%0.181CC..Hα-helixtrans-58-46.5176.7-72.90000111.7A85 L126 A127 M132 V133 A134A85-C130 HydrophobicContact CB-CB 3.82Å; L126-C130 PolarHBondContact O-N 2.98Å; L126-C130 PolarHBondContact O-SG 2.71Å; L126-C130 VanDerWaalsContact O-SG 3.35Å; A127-C130 PolarHBondContact O-N 3.46Å; C130-M132 VanDerWaalsContact C-N 3.33Å; C130-M132 PolarHBondContact O-N 3.46Å; C130-V133 PolarHBondContact O-N 3.4Å; C130-A134 WeakPolarHBondContact O-CB 3.29Å; C130-A134 PolarHBondContact O-N 2.96Å
131G98.4Very high97.9Very high0 Ų035.3 Ų35.30%019%0.186CC..Hα-helixtrans-61.7-41.3174.400000112.2A127 G128 I129 V133 A134 I135 S169A127-G131 PolarHBondContact O-N 3.12Å; G128-G131 PolarHBondContact O-N 3.16Å; I129-G131 VanDerWaalsContact C-N 3.34Å; I129-G131 PolarHBondContact O-N 3.08Å; G131-V133 PolarHBondContact O-N 2.93Å; G131-A134 PolarHBondContact O-N 2.8Å; G131-I135 WeakPolarHBondContact O-CB 3.33Å; G131-I135 WeakPolarHBondContact O-CG1 3.29Å; G131-I135 PolarHBondContact O-N 2.89Å; G131-S169 WeakPolarHBondContact CA-OG 3.4Å
132M98.6Very high97.8Very high37 Ų3735.5 Ų35.518%0.18219%0.187CC..Hα-helixtrans-62.6-46.1-179.3-171.159.980.500110.9G128 I129 C130 S136 W166 S169G128-M132 VanDerWaalsContact O-CB 3.29Å; G128-M132 WeakPolarHBondContact O-CB 3.42Å; G128-M132 PolarHBondContact O-N 3.29Å; I129-M132 WeakPolarHBondContact O-CB 3.47Å; I129-M132 PolarHBondContact O-N 3.33Å; I129-M132 VanDerWaalsContact O-N 3.13Å; C130-M132 VanDerWaalsContact C-N 3.33Å; C130-M132 PolarHBondContact O-N 3.46Å; M132-S136 WeakPolarHBondContact O-CB 3.21Å; M132-S136 PolarHBondContact O-N 3.44Å; M132-S136 PolarHBondContact O-OG 3.01Å; M132-W166 HydrophobicContact CE-CE3 3.71Å; M132-W166 HydrophobicContact CE-CZ3 4.05Å; M132-W166 HydrophobicContact CG-CZ3 4.4Å; M132-W166 HydrophobicContact SD-CD2 3.72Å; M132-W166 HydrophobicContact SD-CE3 3.1Å; M132-W166 HydrophobicContact SD-CH2 3.86Å; M132-W166 HydrophobicContact SD-CZ2 4.42Å; M132-W166 HydrophobicContact SD-CZ3 3.18Å; M132-W166 WeakPolarHBondContact SD-CZ3 3.38Å; M132-S169 PolarHBondContact N-OG 2.98Å
133V98.4Very high97.7Very high71 Ų7135.7 Ų35.743%0.4318%0.183SC..Hα-helixtrans-62.4-46176.8173.40000110.7L81 I129 C130 G131 W137L81-V133 HydrophobicContact CD1-CB 4.47Å; L81-V133 HydrophobicContact CD1-CG1 3.88Å; I129-V133 HydrophobicContact CG2-CG2 4.35Å; I129-V133 WeakPolarHBondContact O-CG2 3.34Å; I129-V133 PolarHBondContact O-N 2.77Å; C130-V133 PolarHBondContact O-N 3.4Å; G131-V133 PolarHBondContact O-N 2.93Å; V133-W137 WeakPolarHBondContact O-CB 3.47Å; V133-W137 PolarHBondContact O-N 3.24Å
134A97.9Very high97.6Very high0 Ų039.7 Ų39.70%020%0.196CC..Hα-helixtrans-59.3-51.8179.300000112C78 L81 M82 C130 G131 W137 Y138C78-A134 HydrophobicContact CB-CB 4.44Å; C78-A134 PolarHBondContact SG-O 2.93Å; C78-A134 VanDerWaalsContact SG-O 3.41Å; L81-A134 HydrophobicContact CB-CB 3.76Å; L81-A134 HydrophobicContact CD1-CB 4.16Å; M82-A134 HydrophobicContact CG-CB 3.88Å; M82-A134 HydrophobicContact SD-CB 3.97Å; C130-A134 WeakPolarHBondContact O-CB 3.29Å; C130-A134 PolarHBondContact O-N 2.96Å; G131-A134 PolarHBondContact O-N 2.8Å; A134-W137 PolarHBondContact O-N 3.43Å; A134-Y138 WeakPolarHBondContact O-CB 3.31Å; A134-Y138 PolarHBondContact O-N 3.33Å
135I98.1Very high97.3Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-66.7-43.3-177.5-59.4-71.8000110.8T23 W29 M82 G131 Y138 A139 L162 W166T23-I135 HydrophobicContact CG2-CD1 3.9Å; W29-I135 HydrophobicContact CE3-CD1 4.32Å; W29-I135 HydrophobicContact CH2-CD1 3.32Å; W29-I135 HydrophobicContact CZ2-CD1 4.05Å; W29-I135 HydrophobicContact CZ3-CD1 3.48Å; W29-I135 VanDerWaalsContact CZ3-CD1 3.48Å; M82-I135 HydrophobicContact SD-CD1 4.26Å; M82-I135 HydrophobicContact SD-CG1 4.36Å; G131-I135 WeakPolarHBondContact O-CB 3.33Å; G131-I135 WeakPolarHBondContact O-CG1 3.29Å; G131-I135 PolarHBondContact O-N 2.89Å; I135-Y138 PolarHBondContact O-N 3.4Å; I135-A139 WeakPolarHBondContact O-CB 3.32Å; I135-A139 PolarHBondContact O-N 2.85Å; I135-L162 HydrophobicContact CD1-CD2 4.21Å; I135-L162 HydrophobicContact CG2-CB 3.98Å; I135-L162 HydrophobicContact CG2-CD2 3.94Å; I135-L162 WeakPolarHBondContact CG2-O 3.31Å; I135-W166 HydrophobicContact CG2-CG 4.07Å
136S98.3Very high97Very high36 Ų3642.1 Ų42.125%0.25221%0.207SC..Hα-helixtrans-64.1-43.2178.4-58.30000111.9M132 A139 F140 W166M132-S136 WeakPolarHBondContact O-CB 3.21Å; M132-S136 PolarHBondContact O-N 3.44Å; M132-S136 PolarHBondContact O-OG 3.01Å; S136-A139 PolarHBondContact O-N 3.49Å; S136-F140 WeakPolarHBondContact O-CB 3.49Å; S136-F140 PolarHBondContact O-N 3.32Å; S136-W166 WeakPolarHBondContact OG-CH2 3.28Å; S136-W166 WeakPolarHBondContact OG-CZ2 3.44Å
137W97.6Very high96.8Very high107 Ų10745.4 Ų45.441%0.40522%0.218SC..Hα-helixtrans-68.2-39.3-179.8-171.618.6000111.3A77 L81 V133 A134 F140 N141A77-W137 HydrophobicContact CB-CE3 4.3Å; A77-W137 HydrophobicContact CB-CH2 3.7Å; A77-W137 HydrophobicContact CB-CZ3 3.33Å; L81-W137 HydrophobicContact CD1-CE3 4.43Å; V133-W137 WeakPolarHBondContact O-CB 3.47Å; V133-W137 PolarHBondContact O-N 3.24Å; A134-W137 PolarHBondContact O-N 3.43Å; W137-F140 PolarHBondContact O-N 2.94Å; W137-N141 PolarHBondContact NE1-ND2 3.46Å; W137-N141 PolarHBondContact O-N 3.4Å; W137-N141 PolarHBondContact O-ND2 3.49Å
138Y96.7Very high96.5Very high0 Ų047.7 Ų47.70%023%0.23CC..Hα-helixtrans-61.3-49.3173-162.9-87.3000111.2W29 R30 L48 Y74 I75 A134 I135 F140 N141 I142 L162W29-Y138 HydrophobicContact CB-CE1 3.76Å; W29-Y138 AromaticContact CE3-CD1 3.94Å; W29-Y138 HydrophobicContact CE3-CD1 3.94Å; W29-Y138 HydrophobicContact CE3-CD2 4.12Å; W29-Y138 HydrophobicContact CE3-CE1 4.13Å; W29-Y138 HydrophobicContact CE3-CE2 4.33Å; W29-Y138 AromaticContact CE3-CG 3.93Å; W29-Y138 HydrophobicContact CE3-CG 3.93Å; W29-Y138 HydrophobicContact CZ3-CD2 4.44Å; W29-Y138 HydrophobicContact CZ3-CG 4.3Å; R30-Y138 HydrophobicContact CB-CE1 4.19Å; R30-Y138 WeakPolarHBondContact CD-OH 3.46Å; R30-Y138 HydrophobicContact CG-CE1 4.37Å; L48-Y138 HydrophobicContact CD1-CE2 4.27Å; Y74-Y138 HydrophobicContact CD2-CD2 4.18Å; Y74-Y138 AromaticContact CE2-CD2 3.7Å; Y74-Y138 HydrophobicContact CE2-CD2 3.7Å; Y74-Y138 AromaticContact CE2-CE2 3.88Å; Y74-Y138 HydrophobicContact CE2-CE2 3.88Å; Y74-Y138 HydrophobicContact CE2-CG 4.38Å; I75-Y138 HydrophobicContact CG1-CE2 4.08Å; A134-Y138 WeakPolarHBondContact O-CB 3.31Å; A134-Y138 PolarHBondContact O-N 3.33Å; I135-Y138 PolarHBondContact O-N 3.4Å; Y138-F140 VanDerWaalsContact C-N 3.32Å; Y138-F140 PolarHBondContact O-N 3.49Å; Y138-N141 PolarHBondContact O-N 3.18Å; Y138-I142 HydrophobicContact CD1-CD1 3.59Å; Y138-I142 HydrophobicContact CD1-CG1 4.27Å; Y138-I142 HydrophobicContact CE1-CD1 3.58Å; Y138-I142 HydrophobicContact CE1-CG1 4.25Å; Y138-I142 WeakPolarHBondContact O-CG1 3.34Å; Y138-I142 PolarHBondContact O-N 3.39Å; Y138-L162 HydrophobicContact CD1-CD1 4.24Å; Y138-L162 HydrophobicContact CD1-CD2 3.79Å; Y138-L162 HydrophobicContact CE1-CD2 4.49Å; Y138-L162 HydrophobicContact CG-CD2 4.42Å
139A97.4Very high96.1Very high13 Ų1353.4 Ų53.411%0.10727%0.267CS..Hα-helixtrans-60.4-39.3177.500000113I135 S136 I142 T143 L158 L162I135-A139 WeakPolarHBondContact O-CB 3.32Å; I135-A139 PolarHBondContact O-N 2.85Å; S136-A139 PolarHBondContact O-N 3.49Å; A139-I142 PolarHBondContact O-N 2.91Å; A139-T143 WeakPolarHBondContact O-CB 3.13Å; A139-T143 PolarHBondContact O-N 3Å; A139-T143 PolarHBondContact O-OG1 3.26Å; A139-L158 HydrophobicContact CB-CD2 3.79Å; A139-L162 HydrophobicContact CB-CD1 4.18Å
140F97Very high95.9Very high125 Ų12556.9 Ų56.955%0.54829%0.285SS..Hα-helixtrans-61-45.1176.7173.4-98.6000112S136 W137 Y138 T143 R144S136-F140 WeakPolarHBondContact O-CB 3.49Å; S136-F140 PolarHBondContact O-N 3.32Å; W137-F140 PolarHBondContact O-N 2.94Å; Y138-F140 VanDerWaalsContact C-N 3.32Å; Y138-F140 PolarHBondContact O-N 3.49Å; F140-T143 PolarHBondContact O-N 3.4Å; F140-R144 VanDerWaalsContact O-CB 3.31Å; F140-R144 WeakPolarHBondContact O-CB 3.37Å; F140-R144 PolarHBondContact O-N 3.18Å
141N95.4Very high95.4Very high19 Ų1959.2 Ų59.210%0.10229%0.292CS..Hα-helixtrans-65.3-41.7178.5-75.5-81.4000111.8Y74 W137 Y138 T143 R144 D145Y74-N141 HydrophobicContact CD2-CB 4.38Å; Y74-N141 HydrophobicContact CE1-CB 4.38Å; Y74-N141 HydrophobicContact CE2-CB 4.15Å; W137-N141 PolarHBondContact NE1-ND2 3.46Å; W137-N141 PolarHBondContact O-N 3.4Å; W137-N141 PolarHBondContact O-ND2 3.49Å; Y138-N141 PolarHBondContact O-N 3.18Å; N141-T143 VanDerWaalsContact C-N 3.33Å; N141-T143 PolarHBondContact O-N 3.33Å; N141-R144 PolarHBondContact O-N 3.39Å; N141-D145 WeakPolarHBondContact O-CB 3.24Å; N141-D145 PolarHBondContact O-N 3.17Å
142I94.6Very high94.8Very high5 Ų565.6 Ų65.63%0.02633%0.333CS..Hα-helixtrans-57.6-49.5174.1-64.3167.2000110.5R30 Y138 A139 R144 D145 F146 Y156 L158 L162R30-I142 HydrophobicContact CB-CD1 3.76Å; R30-I142 HydrophobicContact CB-CG1 4.38Å; Y138-I142 HydrophobicContact CD1-CD1 3.59Å; Y138-I142 HydrophobicContact CD1-CG1 4.27Å; Y138-I142 HydrophobicContact CE1-CD1 3.58Å; Y138-I142 HydrophobicContact CE1-CG1 4.25Å; Y138-I142 WeakPolarHBondContact O-CG1 3.34Å; Y138-I142 PolarHBondContact O-N 3.39Å; A139-I142 PolarHBondContact O-N 2.91Å; I142-R144 VanDerWaalsContact C-N 3.35Å; I142-R144 PolarHBondContact O-N 3.08Å; I142-D145 PolarHBondContact O-N 3.4Å; I142-F146 VanDerWaalsContact O-CB 3.3Å; I142-F146 WeakPolarHBondContact O-CB 3.17Å; I142-F146 PolarHBondContact O-N 2.87Å; I142-Y156 WeakPolarHBondContact CG2-O 3.47Å; I142-L158 HydrophobicContact CB-CD2 4.15Å; I142-L158 HydrophobicContact CD1-CD2 3.94Å; I142-L158 HydrophobicContact CG2-CD2 4.13Å; I142-L162 HydrophobicContact CD1-CD1 3.89Å
143T95.9Very high94.2Very high57 Ų5765.5 Ų65.535%0.3534%0.342SS..Hα-helixtrans-64.2-42.9-176.3-54.20000110.9A139 F140 N141 F146 F147A139-T143 WeakPolarHBondContact O-CB 3.13Å; A139-T143 PolarHBondContact O-N 3Å; A139-T143 PolarHBondContact O-OG1 3.26Å; F140-T143 PolarHBondContact O-N 3.4Å; N141-T143 VanDerWaalsContact C-N 3.33Å; N141-T143 PolarHBondContact O-N 3.33Å; T143-F146 PolarHBondContact O-N 3.44Å; T143-F147 HydrophobicContact CG2-CD2 3.79Å; T143-F147 HydrophobicContact CG2-CE2 3.78Å; T143-F147 WeakPolarHBondContact O-CD2 3.36Å; T143-F147 PolarHBondContact O-N 2.81Å
144R95.3Very high93.6Very high145 Ų14564.9 Ų64.955%0.54734%0.339SS..Hα-helixtrans-57.5-51.8175.3176.8-168.1157.7-176.7-5111.2F140 N141 I142 F146 F147 D148F140-R144 VanDerWaalsContact O-CB 3.31Å; F140-R144 WeakPolarHBondContact O-CB 3.37Å; F140-R144 PolarHBondContact O-N 3.18Å; N141-R144 PolarHBondContact O-N 3.39Å; I142-R144 VanDerWaalsContact C-N 3.35Å; I142-R144 PolarHBondContact O-N 3.08Å; R144-F146 VanDerWaalsContact C-N 3.32Å; R144-F146 PolarHBondContact O-N 3.43Å; R144-F147 PolarHBondContact O-N 3.47Å; R144-D148 WeakPolarHBondContact O-CB 3.23Å; R144-D148 PolarHBondContact O-N 2.86Å; R144-D148 VanDerWaalsContact O-N 3.08Å
145D92.6Very high93.3Very high28 Ų2868 Ų6815%0.1535%0.352CS..Hα-helixtrans-67.5-34.3-177.3-68.6-6000111.5N141 I142 F147 Y151N141-D145 WeakPolarHBondContact O-CB 3.24Å; N141-D145 PolarHBondContact O-N 3.17Å; I142-D145 PolarHBondContact O-N 3.4Å; D145-F147 PolarHBondContact O-N 2.88Å; D145-Y151 HydrophobicContact CB-CD1 4.42Å; D145-Y151 HydrophobicContact CB-CD2 4.03Å; D145-Y151 HydrophobicContact CB-CE1 4.26Å; D145-Y151 HydrophobicContact CB-CE2 3.86Å; D145-Y151 HydrophobicContact CB-CG 4.29Å
146F92Very high93Very high60 Ų6069 Ų6926%0.26336%0.356SS..Hα-helixtrans-63.4-41.5177.6-171.9-88.1000112.4T33 I142 T143 R144 K155 Y156 E157T33-F146 HydrophobicContact CG2-CE2 4.19Å; I142-F146 VanDerWaalsContact O-CB 3.3Å; I142-F146 WeakPolarHBondContact O-CB 3.17Å; I142-F146 PolarHBondContact O-N 2.87Å; T143-F146 PolarHBondContact O-N 3.44Å; R144-F146 VanDerWaalsContact C-N 3.32Å; R144-F146 PolarHBondContact O-N 3.43Å; F146-K155 HydrophobicContact CD2-CB 3.97Å; F146-K155 HydrophobicContact CD2-CD 4.49Å; F146-K155 HydrophobicContact CE2-CB 4.4Å; F146-K155 WeakPolarHBondContact O-CD 2.94Å; F146-K155 WeakPolarHBondContact O-CE 3.36Å; F146-K155 PolarHBondContact O-NZ 2.99Å; F146-Y156 VanDerWaalsContact CD2-O 3.32Å; F146-Y156 WeakPolarHBondContact CD2-O 2.91Å; F146-E157 HydrophobicContact CE2-CG 4.16Å
147F93.6Very high92.8Very high152 Ų15272 Ų7267%0.66737%0.366SS*.Hα-helixtrans-91.3-7.5-177.8-70.2-66.1000114.6T143 R144 D145 P149T143-F147 HydrophobicContact CG2-CD2 3.79Å; T143-F147 HydrophobicContact CG2-CE2 3.78Å; T143-F147 WeakPolarHBondContact O-CD2 3.36Å; T143-F147 PolarHBondContact O-N 2.81Å; R144-F147 PolarHBondContact O-N 3.47Å; D145-F147 PolarHBondContact O-N 2.88Å; F147-P149 WeakPolarHBondContact O-CD 3.47Å
148D93.4Very high92.7Very high49 Ų4970 Ų7026%0.26236%0.363SS..  trans-72.5117.9175-174.9-7.9000110.3R144 L150 Y151 K155R144-D148 WeakPolarHBondContact O-CB 3.23Å; R144-D148 PolarHBondContact O-N 2.86Å; R144-D148 VanDerWaalsContact O-N 3.08Å; D148-L150 PolarHBondContact O-N 3.41Å; D148-L150 WeakPolarHBondContact OD1-CB 3.46Å; D148-L150 PolarHBondContact OD1-N 3.43Å; D148-Y151 PolarHBondContact O-N 3.02Å; D148-K155 PolarHBondContact O-NZ 2.94Å
149P90.3Very high92.7Very high119 Ų11970 Ų7077%0.77336%0.363SS*.THydrogen-bonded Turntrans-71.4-18.5178.330.2-35.3000112.9F147F147-P149 WeakPolarHBondContact O-CD 3.47Å
150L93.7Very high92.6Very high153 Ų15373.3 Ų73.380%0.80138%0.383SS*.THydrogen-bonded Turntrans-95.1-2.3-179.9-62175.3000112.5D148 P152D148-L150 PolarHBondContact O-N 3.41Å; D148-L150 WeakPolarHBondContact OD1-CB 3.46Å; D148-L150 PolarHBondContact OD1-N 3.43Å; L150-P152 WeakPolarHBondContact O-CD 3.36Å
151Y88.8Confident92.6Very high68 Ų6867.3 Ų67.327%0.26736%0.357SS..  trans-69.4113.3-179.8-171.9-102.9000110.7D145 D148 G153 K155D145-Y151 HydrophobicContact CB-CD1 4.42Å; D145-Y151 HydrophobicContact CB-CD2 4.03Å; D145-Y151 HydrophobicContact CB-CE1 4.26Å; D145-Y151 HydrophobicContact CB-CE2 3.86Å; D145-Y151 HydrophobicContact CB-CG 4.29Å; D148-Y151 PolarHBondContact O-N 3.02Å; Y151-G153 VanDerWaalsContact C-N 3.31Å; Y151-G153 WeakPolarHBondContact CD1-O 3.48Å; Y151-G153 VanDerWaalsContact CE1-C 3.4Å; Y151-G153 VanDerWaalsContact CE1-CA 3.45Å; Y151-G153 WeakPolarHBondContact CE1-O 3.33Å; Y151-G153 PolarHBondContact O-N 2.91Å; Y151-K155 HydrophobicContact CD1-CG 4.42Å
152P85.6Confident92.8Very high133 Ų13366.6 Ų66.686%0.86435%0.353SS*.  trans-85.6-5.8-174.235.7-35.1000113L150L150-P152 WeakPolarHBondContact O-CD 3.36Å
153G85.4Confident92.9Very high36 Ų3672.9 Ų72.937%0.37138%0.377SS..SBendtrans-91177.1-175.200000113.9Y151 K155Y151-G153 VanDerWaalsContact C-N 3.31Å; Y151-G153 WeakPolarHBondContact CD1-O 3.48Å; Y151-G153 VanDerWaalsContact CE1-C 3.4Å; Y151-G153 VanDerWaalsContact CE1-CA 3.45Å; Y151-G153 WeakPolarHBondContact CE1-O 3.33Å; Y151-G153 PolarHBondContact O-N 2.91Å; G153-K155 PolarHBondContact O-N 3.43Å
154T86.8Confident93Very high58 Ų5872.4 Ų72.436%0.35637%0.373SS..  trans-63.5126173.4-54.60000110.7Y156T154-Y156 HydrophobicContact CG2-CE2 4.34Å; T154-Y156 VanDerWaalsContact O-CD2 3.23Å; T154-Y156 WeakPolarHBondContact O-CD2 3.49Å; T154-Y156 WeakPolarHBondContact O-CE2 3.36Å
155K90.4Very high93.2Very high65 Ų6565.5 Ų65.528%0.28335%0.346SS..  trans-78.6140174.9-68.2-173.4175.3-162.80110.6S32 T33 F146 D148 Y151 G153S32-K155 WeakPolarHBondContact CA-O 3.4Å; T33-K155 HydrophobicContact CG2-CB 3.64Å; T33-K155 PolarHBondContact N-O 2.84Å; F146-K155 HydrophobicContact CD2-CB 3.97Å; F146-K155 HydrophobicContact CD2-CD 4.49Å; F146-K155 HydrophobicContact CE2-CB 4.4Å; F146-K155 WeakPolarHBondContact O-CD 2.94Å; F146-K155 WeakPolarHBondContact O-CE 3.36Å; F146-K155 PolarHBondContact O-NZ 2.99Å; D148-K155 PolarHBondContact O-NZ 2.94Å; Y151-K155 HydrophobicContact CD1-CG 4.42Å; G153-K155 PolarHBondContact O-N 3.43Å
156Y91.7Very high93.5Very high22 Ų2269.6 Ų69.69%0.08636%0.36CS..EExtended strand (participates in β ladder)trans-118.5149.3-179.2-72.1-86.7000111.1R30 V31 I44 E46 I142 F146 T154R30-Y156 HydrophobicContact CB-CD1 3.97Å; R30-Y156 HydrophobicContact CB-CG 4.23Å; R30-Y156 HydrophobicContact CG-CD1 3.65Å; R30-Y156 HydrophobicContact CG-CE1 4.09Å; R30-Y156 HydrophobicContact CG-CG 4.06Å; V31-Y156 CarbonylContact O-C 3.5Å; V31-Y156 WeakPolarHBondContact O-CA 3.23Å; I44-Y156 HydrophobicContact CG2-CE1 4.28Å; E46-Y156 HydrophobicContact CG-CE1 4.28Å; E46-Y156 PolarHBondContact OE1-OH 3.24Å; I142-Y156 WeakPolarHBondContact CG2-O 3.47Å; F146-Y156 VanDerWaalsContact CD2-O 3.32Å; F146-Y156 WeakPolarHBondContact CD2-O 2.91Å; T154-Y156 HydrophobicContact CG2-CE2 4.34Å; T154-Y156 VanDerWaalsContact O-CD2 3.23Å; T154-Y156 WeakPolarHBondContact O-CD2 3.49Å; T154-Y156 WeakPolarHBondContact O-CE2 3.36Å
157E94.2Very high93.8Very high99 Ų9969.4 Ų69.446%0.46337%0.366SS..EExtended strand (participates in β ladder)trans-102.9160.4170.4-66.4174.4-163.200110.1R30 V31 T33 F146 G159R30-E157 WeakPolarHBondContact CA-O 3.35Å; V31-E157 PolarHBondContact N-O 3.47Å; V31-E157 VanDerWaalsContact N-O 3.16Å; V31-E157 PolarHBondContact O-N 3.3Å; T33-E157 VanDerWaalsContact CB-OE1 3.31Å; T33-E157 WeakPolarHBondContact CB-OE1 3.44Å; T33-E157 PolarHBondContact OG1-OE1 3.2Å; F146-E157 HydrophobicContact CE2-CG 4.16Å; E157-G159 PolarHBondContact O-N 3.48Å
158L95.9Very high94Very high64 Ų6462.2 Ų62.234%0.33533%0.334SS..EExtended strand (participates in β ladder)trans-67.1120.2179.8-61.4177.2000110A139 I142 L162 Y163A139-L158 HydrophobicContact CB-CD2 3.79Å; I142-L158 HydrophobicContact CB-CD2 4.15Å; I142-L158 HydrophobicContact CD1-CD2 3.94Å; I142-L158 HydrophobicContact CG2-CD2 4.13Å; L158-L162 HydrophobicContact CB-CD1 4.14Å; L158-L162 HydrophobicContact CD2-CD1 3.63Å; L158-L162 HydrophobicContact CG-CD1 4.47Å; L158-Y163 HydrophobicContact CB-CE2 4.24Å
159G96Very high94.2Very high0 Ų059.9 Ų59.90%032%0.322CS..PPolyproline II helixtrans-77154.7179.300000113.2Y28 W29 E157 A161 L162 Y163Y28-G159 CarbonylContact O-C 3.58Å; Y28-G159 VanDerWaalsContact O-C 3.27Å; Y28-G159 VanDerWaalsContact O-CA 3.24Å; Y28-G159 WeakPolarHBondContact O-CA 3.42Å; W29-G159 WeakPolarHBondContact O-CA 3.49Å; W29-G159 PolarHBondContact O-N 3.16Å; E157-G159 PolarHBondContact O-N 3.48Å; G159-A161 PolarHBondContact O-N 3.11Å; G159-A161 VanDerWaalsContact O-N 3.1Å; G159-L162 WeakPolarHBondContact O-CB 3.45Å; G159-L162 PolarHBondContact O-N 2.94Å; G159-Y163 WeakPolarHBondContact O-CD2 3.3Å
160P96.8Very high94.6Very high82 Ų8258.5 Ų58.553%0.53231%0.307SS..Hα-helixtrans-50.1-32.9175.1-3035.4000115.1L162 Y163 L164P160-L162 PolarHBondContact O-N 3.49Å; P160-Y163 PolarHBondContact O-N 2.74Å; P160-L164 PolarHBondContact O-N 2.9Å
161A97.3Very high94.9Very high0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-61.3-31.6179.800000112.3T23 N26 Y28 W29 G159 L164 G165T23-A161 HydrophobicContact CG2-CB 4.46Å; T23-A161 VanDerWaalsContact CG2-O 3.29Å; T23-A161 WeakPolarHBondContact CG2-O 3.43Å; N26-A161 HydrophobicContact CB-CB 3.76Å; Y28-A161 WeakPolarHBondContact O-CB 3.46Å; Y28-A161 PolarHBondContact O-N 2.97Å; W29-A161 HydrophobicContact CG-CB 4.05Å; G159-A161 PolarHBondContact O-N 3.11Å; G159-A161 VanDerWaalsContact O-N 3.1Å; A161-L164 WeakPolarHBondContact O-CB 3.49Å; A161-L164 PolarHBondContact O-N 2.86Å; A161-G165 PolarHBondContact O-N 2.99Å
162L97.8Very high95.3Very high3 Ų350.1 Ų50.12%0.01627%0.268CS..Hα-helixtrans-65.3-46.8178.9-58.6179.6000110.6W29 I135 Y138 A139 I142 L158 G159 P160 L164 G165 W166W29-L162 HydrophobicContact CD2-CD2 4.13Å; W29-L162 HydrophobicContact CE3-CD2 3.48Å; W29-L162 VanDerWaalsContact CE3-CD2 3.48Å; W29-L162 HydrophobicContact CZ3-CD2 4Å; W29-L162 WeakPolarHBondContact O-CD1 3.4Å; W29-L162 WeakPolarHBondContact O-CG 3.39Å; I135-L162 HydrophobicContact CD1-CD2 4.21Å; I135-L162 HydrophobicContact CG2-CB 3.98Å; I135-L162 HydrophobicContact CG2-CD2 3.94Å; I135-L162 WeakPolarHBondContact CG2-O 3.31Å; Y138-L162 HydrophobicContact CD1-CD1 4.24Å; Y138-L162 HydrophobicContact CD1-CD2 3.79Å; Y138-L162 HydrophobicContact CE1-CD2 4.49Å; Y138-L162 HydrophobicContact CG-CD2 4.42Å; A139-L162 HydrophobicContact CB-CD1 4.18Å; I142-L162 HydrophobicContact CD1-CD1 3.89Å; L158-L162 HydrophobicContact CB-CD1 4.14Å; L158-L162 HydrophobicContact CD2-CD1 3.63Å; L158-L162 HydrophobicContact CG-CD1 4.47Å; G159-L162 WeakPolarHBondContact O-CB 3.45Å; G159-L162 PolarHBondContact O-N 2.94Å; P160-L162 PolarHBondContact O-N 3.49Å; L162-L164 VanDerWaalsContact C-N 3.29Å; L162-L164 PolarHBondContact O-N 3.42Å; L162-G165 WeakPolarHBondContact O-CA 3.49Å; L162-G165 PolarHBondContact O-N 3.45Å; L162-G165 VanDerWaalsContact O-N 3.09Å; L162-W166 PolarHBondContact O-N 2.99Å
163Y98.1Very high95.9Very high137 Ų13745.4 Ų45.454%0.53724%0.235SC..Hα-helixtrans-61.5-38.8177.3-58.1-83.2000112.3L158 G159 P160 S167L158-Y163 HydrophobicContact CB-CE2 4.24Å; G159-Y163 WeakPolarHBondContact O-CD2 3.3Å; P160-Y163 PolarHBondContact O-N 2.74Å; Y163-S167 WeakPolarHBondContact O-CB 3.4Å; Y163-S167 PolarHBondContact O-N 3.09Å; Y163-S167 VanDerWaalsContact O-N 3.1Å; Y163-S167 PolarHBondContact O-OG 3.42Å
164L98.1Very high96.5Very high48 Ų4847.3 Ų47.325%0.25124%0.236SC..Hα-helixtrans-61.3-45.8172.9-172.370.7000111M19 V22 T23 P160 A161 L162 S167 A168M19-L164 HydrophobicContact CE-CD1 3.36Å; M19-L164 HydrophobicContact CE-CG 4.33Å; V22-L164 HydrophobicContact CB-CD2 4.4Å; V22-L164 HydrophobicContact CG1-CD2 3.95Å; T23-L164 WeakPolarHBondContact OG1-CD2 3.34Å; T23-L164 WeakPolarHBondContact OG1-CG 3.39Å; P160-L164 PolarHBondContact O-N 2.9Å; A161-L164 WeakPolarHBondContact O-CB 3.49Å; A161-L164 PolarHBondContact O-N 2.86Å; L162-L164 VanDerWaalsContact C-N 3.29Å; L162-L164 PolarHBondContact O-N 3.42Å; L164-S167 PolarHBondContact O-N 2.86Å; L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.32Å; L164-A168 PolarHBondContact O-N 3.43Å
165G98.1Very high97Very high0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-62.8-44.9177.800000113.8T23 A161 L162 S167 A168 S169T23-G165 PolarHBondContact OG1-N 3.34Å; A161-G165 PolarHBondContact O-N 2.99Å; L162-G165 WeakPolarHBondContact O-CA 3.49Å; L162-G165 PolarHBondContact O-N 3.45Å; L162-G165 VanDerWaalsContact O-N 3.09Å; G165-S167 VanDerWaalsContact C-N 3.31Å; G165-S167 PolarHBondContact O-N 3.27Å; G165-A168 PolarHBondContact O-N 2.91Å; G165-S169 WeakPolarHBondContact O-CB 3.49Å; G165-S169 PolarHBondContact O-N 3.49Å; G165-S169 PolarHBondContact O-OG 3.41Å
166W98.6Very high97.3Very high114 Ų11441.5 Ų41.543%0.43221%0.206SC..Hα-helixtrans-56.1-46.9173.4-84.896.9000111.4M132 I135 S136 L162 L170M132-W166 HydrophobicContact CE-CE3 3.71Å; M132-W166 HydrophobicContact CE-CZ3 4.05Å; M132-W166 HydrophobicContact CG-CZ3 4.4Å; M132-W166 HydrophobicContact SD-CD2 3.72Å; M132-W166 HydrophobicContact SD-CE3 3.1Å; M132-W166 HydrophobicContact SD-CH2 3.86Å; M132-W166 HydrophobicContact SD-CZ2 4.42Å; M132-W166 HydrophobicContact SD-CZ3 3.18Å; M132-W166 WeakPolarHBondContact SD-CZ3 3.38Å; I135-W166 HydrophobicContact CG2-CG 4.07Å; S136-W166 WeakPolarHBondContact OG-CH2 3.28Å; S136-W166 WeakPolarHBondContact OG-CZ2 3.44Å; L162-W166 PolarHBondContact O-N 2.99Å; W166-L170 WeakPolarHBondContact O-CB 3.48Å; W166-L170 PolarHBondContact O-N 3.32Å
167S98.4Very high97.5Very high56 Ų5644.7 Ų44.739%0.39222%0.224SC..Hα-helixtrans-63.5-45.8178.1-54.90000111.3Y163 L164 G165 S169 L170 I171Y163-S167 WeakPolarHBondContact O-CB 3.4Å; Y163-S167 PolarHBondContact O-N 3.09Å; Y163-S167 VanDerWaalsContact O-N 3.1Å; Y163-S167 PolarHBondContact O-OG 3.42Å; L164-S167 PolarHBondContact O-N 2.86Å; G165-S167 VanDerWaalsContact C-N 3.31Å; G165-S167 PolarHBondContact O-N 3.27Å; S167-S169 PolarHBondContact O-N 3.37Å; S167-L170 PolarHBondContact O-N 3.5Å; S167-I171 WeakPolarHBondContact O-CB 3.19Å; S167-I171 VanDerWaalsContact O-CG1 3.25Å; S167-I171 WeakPolarHBondContact O-CG1 3.24Å; S167-I171 PolarHBondContact O-N 3.03Å
168A98.4Very high97.5Very high0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-60.9-44.7179.100000112.4M19 L20 L164 G165 S172M19-A168 HydrophobicContact CB-CB 3.42Å; M19-A168 VanDerWaalsContact CB-CB 3.42Å; L20-A168 HydrophobicContact CD2-CB 3.96Å; L20-A168 HydrophobicContact CG-CB 3.81Å; L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.32Å; L164-A168 PolarHBondContact O-N 3.43Å; G165-A168 PolarHBondContact O-N 2.91Å; A168-S172 WeakPolarHBondContact O-CB 3.23Å; A168-S172 PolarHBondContact O-N 3.29Å; A168-S172 PolarHBondContact O-OG 3.05Å
169S98.6Very high97.3Very high0 Ų038.4 Ų38.40%020%0.196CC..Hα-helixtrans-63.5-45.7176.1-81.20000112.1G128 G131 M132 G165 S167 S172 I173G128-S169 VanDerWaalsContact O-CB 3.27Å; G128-S169 WeakPolarHBondContact O-CB 3.15Å; G128-S169 PolarHBondContact O-OG 2.89Å; G131-S169 WeakPolarHBondContact CA-OG 3.4Å; M132-S169 PolarHBondContact N-OG 2.98Å; G165-S169 WeakPolarHBondContact O-CB 3.49Å; G165-S169 PolarHBondContact O-N 3.49Å; G165-S169 PolarHBondContact O-OG 3.41Å; S167-S169 PolarHBondContact O-N 3.37Å; S169-S172 PolarHBondContact O-N 3.22Å; S169-I173 VanDerWaalsContact O-CG1 3.28Å; S169-I173 WeakPolarHBondContact O-CG1 3.5Å; S169-I173 PolarHBondContact O-N 3.36Å
170L98.6Very high96.9Very high90 Ų9039.1 Ų39.147%0.47120%0.201SC..Hα-helixtrans-62.8-47.2178.2-17962.1000111.6W166 S167 S172 I173 L174W166-L170 WeakPolarHBondContact O-CB 3.48Å; W166-L170 PolarHBondContact O-N 3.32Å; S167-L170 PolarHBondContact O-N 3.5Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 2.9Å; L170-I173 PolarHBondContact O-N 2.86Å; L170-L174 HydrophobicContact CD1-CD1 4.18Å; L170-L174 HydrophobicContact CD1-CG 4.22Å; L170-L174 HydrophobicContact CG-CD1 4Å; L170-L174 HydrophobicContact CG-CG 4.44Å; L170-L174 WeakPolarHBondContact O-CB 3.46Å; L170-L174 VanDerWaalsContact O-CG 3.31Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 2.84Å
171I98.4Very high96.1Very high45 Ų4536.7 Ų36.723%0.23119%0.186CC..Hα-helixtrans-60.4-41177.3-71167.9000110.8M12 M19 S167 L174 G175M12-I171 HydrophobicContact CB-CG2 4.22Å; M12-I171 HydrophobicContact CE-CB 4.46Å; M12-I171 HydrophobicContact CE-CG2 4.08Å; M12-I171 WeakPolarHBondContact O-CG2 3.2Å; M19-I171 HydrophobicContact SD-CD1 3.96Å; S167-I171 WeakPolarHBondContact O-CB 3.19Å; S167-I171 VanDerWaalsContact O-CG1 3.25Å; S167-I171 WeakPolarHBondContact O-CG1 3.24Å; S167-I171 PolarHBondContact O-N 3.03Å; I171-L174 PolarHBondContact O-N 3.12Å; I171-G175 PolarHBondContact O-N 3.23Å
172S98.3Very high94.5Very high1 Ų139 Ų391%0.00720%0.2CC..Hα-helixtrans-62.9-43.8176.4-600000112.2G16 A168 S169 L170 G176G16-S172 VanDerWaalsContact C-OG 3.32Å; G16-S172 VanDerWaalsContact CA-OG 3.3Å; G16-S172 WeakPolarHBondContact CA-OG 3.46Å; A168-S172 WeakPolarHBondContact O-CB 3.23Å; A168-S172 PolarHBondContact O-N 3.29Å; A168-S172 PolarHBondContact O-OG 3.05Å; S169-S172 PolarHBondContact O-N 3.22Å; L170-S172 VanDerWaalsContact C-N 3.3Å; L170-S172 PolarHBondContact O-N 2.9Å; S172-G176 PolarHBondContact O-N 3.06Å
173I98.5Very high92.5Very high34 Ų3443.1 Ų43.117%0.17423%0.228CC..Hα-helixtrans-63.4-49.6177.3-67.6164.2000110.3I129 S169 L170 G175 G176 L177I129-I173 HydrophobicContact CG1-CD1 4.28Å; S169-I173 VanDerWaalsContact O-CG1 3.28Å; S169-I173 WeakPolarHBondContact O-CG1 3.5Å; S169-I173 PolarHBondContact O-N 3.36Å; L170-I173 PolarHBondContact O-N 2.86Å; I173-G175 PolarHBondContact O-N 2.65Å; I173-G176 PolarHBondContact O-N 2.86Å; I173-L177 HydrophobicContact CG2-CD1 4.01Å; I173-L177 HydrophobicContact CG2-CG 4.37Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 2.77Å
174L97.7Very high90.2Very high76 Ų7641.6 Ų41.640%0.39824%0.236SC..Hα-helixtrans-62.4-44.1-179.7-69175.3000111.7M12 L170 I171 G176 L177 C178M12-L174 HydrophobicContact CE-CB 3.47Å; M12-L174 VanDerWaalsContact CE-CB 3.47Å; M12-L174 HydrophobicContact CE-CD1 4.16Å; M12-L174 HydrophobicContact CE-CG 4.48Å; L170-L174 HydrophobicContact CD1-CD1 4.18Å; L170-L174 HydrophobicContact CD1-CG 4.22Å; L170-L174 HydrophobicContact CG-CD1 4Å; L170-L174 HydrophobicContact CG-CG 4.44Å; L170-L174 WeakPolarHBondContact O-CB 3.46Å; L170-L174 VanDerWaalsContact O-CG 3.31Å; L170-L174 WeakPolarHBondContact O-CG 3.38Å; L170-L174 PolarHBondContact O-N 2.84Å; I171-L174 PolarHBondContact O-N 3.12Å; L174-G176 VanDerWaalsContact C-N 3.33Å; L174-G176 PolarHBondContact O-N 2.88Å; L174-L177 PolarHBondContact O-N 3.24Å; L174-C178 PolarHBondContact O-N 2.59Å; L174-C178 PolarHBondContact O-SG 2.73Å; L174-C178 VanDerWaalsContact O-SG 3.34Å
175G96.8Very high87.8Confident0 Ų044.3 Ų44.30%026%0.258CS..Hα-helixtrans-60.5-42.9174.700000112.2G9 I171 I173 C178 L179G9-G175 WeakPolarHBondContact O-CA 3.46Å; I171-G175 PolarHBondContact O-N 3.23Å; I173-G175 PolarHBondContact O-N 2.65Å; G175-C178 WeakPolarHBondContact O-CB 3.05Å; G175-C178 PolarHBondContact O-N 3.29Å; G175-L179 WeakPolarHBondContact O-CG 3.42Å; G175-L179 PolarHBondContact O-N 3.49Å; G175-L179 VanDerWaalsContact O-N 3.13Å
176G96.4Very high85.5Confident0 Ų047 Ų470%029%0.285CS..Hα-helixtrans-64.1-4017500000113.6G121 S172 I173 L174 C178 L179 C180G121-G176 WeakPolarHBondContact CA-O 3.39Å; G121-G176 WeakPolarHBondContact O-CA 3.19Å; S172-G176 PolarHBondContact O-N 3.06Å; I173-G176 PolarHBondContact O-N 2.86Å; L174-G176 VanDerWaalsContact C-N 3.33Å; L174-G176 PolarHBondContact O-N 2.88Å; G176-C178 PolarHBondContact O-N 2.73Å; G176-L179 PolarHBondContact O-N 3.49Å; G176-C180 WeakPolarHBondContact O-CB 3.28Å; G176-C180 PolarHBondContact O-N 3.33Å; G176-C180 PolarHBondContact O-SG 3.3Å; G176-C180 VanDerWaalsContact O-SG 3.36Å
177L95.6Very high82.8Confident90 Ų9046.9 Ų46.947%0.47130%0.302SS..Hα-helixtrans-62.8-41.2174.3-72.6171.6000112I125 I173 L174 L179 C180 S181I125-L177 HydrophobicContact CD1-CD2 3.8Å; I125-L177 HydrophobicContact CD1-CG 4.12Å; I125-L177 HydrophobicContact CG1-CG 4.41Å; I173-L177 HydrophobicContact CG2-CD1 4.01Å; I173-L177 HydrophobicContact CG2-CG 4.37Å; I173-L177 WeakPolarHBondContact O-CG 3.49Å; I173-L177 PolarHBondContact O-N 2.77Å; L174-L177 PolarHBondContact O-N 3.24Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 2.79Å; L177-C180 PolarHBondContact O-N 2.75Å; L177-S181 PolarHBondContact O-N 3.37Å
178C94.1Very high79.9Confident30 Ų3052 Ų5220%0.20332%0.32CS..Hα-helixtrans-58.9-42.9173.8-69.80000111.6V5 L174 G175 G176 S181V5-C178 HydrophobicContact CG1-CB 4.06Å; L174-C178 PolarHBondContact O-N 2.59Å; L174-C178 PolarHBondContact O-SG 2.73Å; L174-C178 VanDerWaalsContact O-SG 3.34Å; G175-C178 WeakPolarHBondContact O-CB 3.05Å; G175-C178 PolarHBondContact O-N 3.29Å; G176-C178 PolarHBondContact O-N 2.73Å; C178-S181 WeakPolarHBondContact O-CB 3.09Å; C178-S181 PolarHBondContact O-N 2.65Å; C178-S181 PolarHBondContact O-OG 3.08Å
179L92Very high77.3Confident1 Ų160.8 Ų60.81%0.00536%0.361CS..Hα-helixtrans-69.2-35.5177-67.8171000112.8E6 F10 A13 G175 G176 L177 S181E6-L179 HydrophobicContact CG-CD2 4.4Å; E6-L179 WeakPolarHBondContact O-CD2 3.14Å; F10-L179 HydrophobicContact CB-CD2 4.24Å; A13-L179 HydrophobicContact CB-CD1 4.37Å; G175-L179 WeakPolarHBondContact O-CG 3.42Å; G175-L179 PolarHBondContact O-N 3.49Å; G175-L179 VanDerWaalsContact O-N 3.13Å; G176-L179 PolarHBondContact O-N 3.49Å; L177-L179 VanDerWaalsContact C-N 3.31Å; L177-L179 PolarHBondContact O-N 2.79Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 3.06Å
180C88Confident74.6Confident15 Ų1565.5 Ų65.510%0.10139%0.386CS..Hα-helixtrans-77.5-11.6177.3-730000114.5A118 G121 A122 I125 G176 L177 T182 C183 C184A118-C180 PolarHBondContact O-SG 3.42Å; A118-C180 VanDerWaalsContact O-SG 3.37Å; G121-C180 VanDerWaalsContact CA-SG 3.59Å; A122-C180 PolarHBondContact N-SG 3.05Å; I125-C180 HydrophobicContact CD1-CB 4.48Å; G176-C180 WeakPolarHBondContact O-CB 3.28Å; G176-C180 PolarHBondContact O-N 3.33Å; G176-C180 PolarHBondContact O-SG 3.3Å; G176-C180 VanDerWaalsContact O-SG 3.36Å; L177-C180 PolarHBondContact O-N 2.75Å; C180-T182 PolarHBondContact O-N 3.45Å; C180-C183 WeakPolarHBondContact O-CB 3.29Å; C180-C183 PolarHBondContact O-N 2.85Å; C180-C184 PolarHBondContact O-N 2.95Å
181S79.4Confident72Confident30 Ų3066.8 Ų66.821%0.2140%0.4CS..Hα-helixtrans-54.6-23.9-173.762.30000114.6L177 C178 L179 C185L177-S181 PolarHBondContact O-N 3.37Å; C178-S181 WeakPolarHBondContact O-CB 3.09Å; C178-S181 PolarHBondContact O-N 2.65Å; C178-S181 PolarHBondContact O-OG 3.08Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 3.06Å; S181-C185 WeakPolarHBondContact O-CB 3.29Å; S181-C185 PolarHBondContact O-N 3.48Å; S181-C185 PolarHBondContact O-SG 3.13Å; S181-C185 VanDerWaalsContact O-SG 3.39Å
182T64.4Low69.6Low49 Ų4968.8 Ų68.830%0.30142%0.423SS..Hα-helixtrans-68.4-31.9174.1-51.80000113.3M1 C180M1-T182 WeakPolarHBondContact CB-OG1 3.25Å; M1-T182 WeakPolarHBondContact CE-OG1 3.3Å; M1-T182 PolarHBondContact SD-OG1 3Å; M1-T182 VanDerWaalsContact SD-OG1 3.41Å; C180-T182 PolarHBondContact O-N 3.45Å
183C56.2Low67.1Low89 Ų8972.7 Ų72.760%0.60146%0.455SS*.Hα-helixtrans-79.8-33.6177.4-72.30000112.3A118 C180A118-C183 WeakPolarHBondContact CB-SG 3.38Å; C180-C183 WeakPolarHBondContact O-CB 3.29Å; C180-C183 PolarHBondContact O-N 2.85Å
184C49.2Very low64.5Low105 Ų10576.4 Ų76.471%0.70948%0.484SS*.Hα-helixtrans-79.5-24.4-179-59.80000113.4C180C180-C184 PolarHBondContact O-N 2.95Å
185C49.1Very low62Low106 Ų10676.5 Ų76.572%0.71650%0.496SS*.THydrogen-bonded Turntrans-948177.9-62.40000113.9S181 S187S181-C185 WeakPolarHBondContact O-CB 3.29Å; S181-C185 PolarHBondContact O-N 3.48Å; S181-C185 PolarHBondContact O-SG 3.13Å; S181-C185 VanDerWaalsContact O-SG 3.39Å; C185-S187 PolarHBondContact O-N 3.27Å
186G47.9Very low59.4Low55 Ų5587.6 Ų87.657%0.56754%0.538SS*.  trans-90.365.1174.700000112
187S42.2Very low57.1Low113 Ų11395 Ų9579%0.7958%0.577SS**  trans-17551.4163.5-74.30000111.5C185C185-S187 PolarHBondContact O-N 3.27Å
188H39Very low54.6Low164 Ų16496.4 Ų96.476%0.75959%0.591SS**  trans-127.556.1153.8-134.6-80.6000107.5D190H188-D190 IonicContact CE1-OD1 3.49Å; H188-D190 PolarHBondContact CE1-OD1 3.02Å; H188-D190 IonicContact ND1-OD1 3.2Å; H188-D190 PolarHBondContact ND1-OD1 2.89Å; H188-D190 PolarHBondContact O-N 2.94Å
189E42.7Very low52.3Low183 Ų183104.6 Ų104.686%0.85562%0.619SS**  trans-67.4107.8147.4-86.7179.4108.100105.1P191E189-P191 VanDerWaalsContact O-CD 3.25Å; E189-P191 WeakPolarHBondContact O-CD 3.44Å; E189-P191 VanDerWaalsContact O-N 3.14Å
190D41.1Very low50.1Low100 Ų100113 Ų11354%0.53566%0.658SS.*  trans-51.5120.7166-74.7-33.1000107.8H188 A192 A193H188-D190 IonicContact CE1-OD1 3.49Å; H188-D190 PolarHBondContact CE1-OD1 3.02Å; H188-D190 IonicContact ND1-OD1 3.2Å; H188-D190 PolarHBondContact ND1-OD1 2.89Å; H188-D190 PolarHBondContact O-N 2.94Å; D190-A192 PolarHBondContact O-N 3.02Å; D190-A193 PolarHBondContact O-N 2.85Å
191P45.5Very low48Very low117 Ų117115.1 Ų115.176%0.7668%0.678SS**THydrogen-bonded Turntrans-58.6-10.5178.1-23.432.7000113.6E189E189-P191 VanDerWaalsContact O-CD 3.25Å; E189-P191 WeakPolarHBondContact O-CD 3.44Å; E189-P191 VanDerWaalsContact O-N 3.14Å
192A46.5Very low46.1Very low87 Ų87119.1 Ų119.172%0.71970%0.702SS**THydrogen-bonded Turntrans-74.6-19-18000000114.4D190D190-A192 PolarHBondContact O-N 3.02Å
193A46.8Very low45.3Very low83 Ų83122.9 Ų122.969%0.68673%0.725SS**SBendtrans-86.7-19.6-178.600000114D190D190-A193 PolarHBondContact O-N 2.85Å
194S44.7Very low44.6Very low111 Ų111123.5 Ų123.578%0.77673%0.731SS**SBendtrans-87.3-8.1-178.2-163.50000113.6R196S194-R196 VanDerWaalsContact C-N 3.26Å; S194-R196 PolarHBondContact O-N 2.03Å
195A45.1Very low44.3Very low79 Ų79124.9 Ų124.965%0.65374%0.736SS**  trans-85.423.9178.700000114.4L197A195-L197 VanDerWaalsContact C-N 3.35Å; A195-L197 PolarHBondContact O-N 2.83Å; A195-L197 VanDerWaalsContact O-N 3.13Å
196R41.2Very low44Very low232 Ų232127.9 Ų127.988%0.87574%0.741SS**  trans-82.887.3165.8-71.7-165.3-165.3-113.53.1109.1S194S194-R196 VanDerWaalsContact C-N 3.26Å; S194-R196 PolarHBondContact O-N 2.03Å
197L47.7Very low43.5Very low156 Ų156131.1 Ų131.182%0.81775%0.752SS**  trans-42.6137.8161-79.2152.1000110.3A195 Y199A195-L197 VanDerWaalsContact C-N 3.35Å; A195-L197 PolarHBondContact O-N 2.83Å; A195-L197 VanDerWaalsContact O-N 3.13Å; L197-Y199 PolarHBondContact O-N 3.08Å
198P42.8Very low43.4Very low120 Ų120132.3 Ų132.378%0.77975%0.754SS**  trans-66.9107.4165.827.3-28.9000107.5Q200P198-Q200 PolarHBondContact O-N 2.85Å
199Y46Very low43.2Very low202 Ų202129.2 Ų129.279%0.79276%0.757SS**  trans-64.3101.7168.5177-98.5000107.9L197 A201L197-Y199 PolarHBondContact O-N 3.08Å; Y199-A201 HydrophobicContact CE1-CB 4.14Å
200Q46.5Very low43Very low176 Ų176126.6 Ų126.682%0.82275%0.754SS**  trans-86.8111.6171-157-177.2-29.500107.5P198P198-Q200 PolarHBondContact O-N 2.85Å
201A44.7Very low42.7Very low61 Ų61127 Ų12750%0.50476%0.764SS.*  trans-63.7137.5175.700000110Y199 V203Y199-A201 HydrophobicContact CE1-CB 4.14Å; A201-V203 PolarHBondContact O-N 3.46Å
202P39.1Very low42Very low113 Ų113128.5 Ų128.573%0.73477%0.766SS**  trans-68.3122.817725.9-30000109.6S204P202-S204 PolarHBondContact O-N 3.3Å
203V47.9Very low41.2Very low128 Ų128132.3 Ų132.378%0.77677%0.769SS**  trans-73.2106.9169.9-178.10000107.2A201 V205A201-V203 PolarHBondContact O-N 3.46Å; V203-V205 PolarHBondContact O-N 2.8Å; V203-V205 VanDerWaalsContact O-N 3.15Å
204S40.8Very low40.4Very low103 Ų103136.7 Ų136.772%0.7278%0.775SS**  trans-68.2106.8170.2550000109P202 M206P202-S204 PolarHBondContact O-N 3.3Å; S204-M206 PolarHBondContact O-N 2.78Å
205V42.6Very low39.7Very low134 Ų134134.9 Ų134.981%0.81277%0.774SS**  trans-71.6107.7168.6-179.70000107.5V203V203-V205 PolarHBondContact O-N 2.8Å; V203-V205 VanDerWaalsContact O-N 3.15Å
206M43.9Very low38.9Very low169 Ų169138.7 Ų138.783%0.83378%0.784SS**PPolyproline II helixtrans-83.1139.3164.7-86.6-169.4155.600109.6S204S204-M206 PolarHBondContact O-N 2.78Å
207P37.5Very low38.4Very low122 Ų122133 Ų13379%0.79278%0.779SS**PPolyproline II helixtrans-73.9146.4179.915.5-6.4000111.8
208V39.9Very low37.8Very low138 Ų138130.5 Ų130.584%0.83678%0.775SS**PPolyproline II helixtrans-57.2131.3179.1174.10000111.5T210V208-T210 HydrophobicContact CG1-CG2 4.41Å
209A35.3Very low37.3Very low99 Ų99134.5 Ų134.582%0.81878%0.78SS**  trans-120.1121.9159.200000108.6
210T38.5Very low37Very low129 Ų129128.6 Ų128.679%0.79178%0.78SS**  trans-80.9131.517743.30000111.4V208V208-T210 HydrophobicContact CG1-CG2 4.41Å
211S32.9Very low36.5Very low107 Ų107129.4 Ų129.475%0.74878%0.781SS**  trans-175.8110.914455.20000111.4
212D31.2Very low36.3Very low150 Ų150138 Ų13880%0.80280%0.802SS**  trans34.8137.1136.1-58.5-35.4000124
213Q30.9Very low36.4Very low167 Ų167135.9 Ų135.978%0.7880%0.802SS**  trans78.2111.1142.5-81.2176.3-27.300122.2
214E29.9Very low36.2Very low175 Ų175141.5 Ų141.582%0.81881%0.809SS**  78.7125.5111.8-149158-172.200120.1
215G29.1Very low36.3Very low73 Ų73143.1 Ų143.175%0.75381%0.81SS**  trans113.598.3146.100000119.8
216D29.4Very low36.6Very low159 Ų159141.6 Ų141.685%0.8581%0.811SS**  53.1140.4125.4-112.7-9.6000125.8
217S31.1Very low36.6Very low112 Ų112143.1 Ų143.178%0.78381%0.809SS**  trans70.8153.8150.880.30000118.4
218S33.5Very low36.9Very low104 Ų104147.9 Ų147.973%0.72784%0.835SS**  cis-168.6136.1-5.1154.60000107.8
219F33.6Very low36.7Very low204 Ų204148.4 Ų148.490%0.89584%0.835SS**  20.3123.9129.2-142.5-97.6000119.5
220G38.1Very low36.8Very low77 Ų77150.9 Ų150.979%0.79484%0.836SS**  trans-176.678.3170.300000115.4
221K36.7Very low36.7Very low194 Ų194152.2 Ų152.284%0.84384%0.838SS**  trans-74.6133.9153.3-90.8177172.9174.10107.8
222Y40.2Very low36.9Very low240 Ų240154.8 Ų154.894%0.94184%0.844SS**  trans-170.9131.1135-102.7-73.2000109.8
223G41Very low37.3Very low70 Ų70155.1 Ų155.172%0.72285%0.846SS**  trans-85165.7179.600000113.6
224R43.5Very low37.7Very low246 Ų246154.3 Ų154.393%0.92885%0.851SS**  trans-156.9119.5158.4-129.7176.4-178.8-180-0.2110.5
225N43.3Very low38.3Very low137 Ų137152.9 Ų152.973%0.73385%0.853SS**  trans-72.5139.1166.9-53.6-27.4000108.6
226A49Very low39Very low102 Ų102159 Ų15984%0.84386%0.861SS**  trans-134.4128.2164.100000108.5
227Y44.6Very low39.8Very low200 Ų200159 Ų15978%0.78486%0.862SS**  trans-90137.6-176.6-39.5-92.3000109.7
228V43.1Very low40.6Very low222 Ų222163.3 Ų163.3100%1.34587%0.869SS**  trans-1450136.4-177.50000106.8

Retrieved 228 of 228 residues in 1103 ms (Link to these results)

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