A0A087YE02_POEFO Loading...

Calcium load-activated calcium channel

Calcium-selective channel required to prevent calcium stores from overfilling.

AlphaFold DB (A0A3B4EB99), UniProt , Accession A0A087YE02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 188 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
1M53.4Low79Confident202 Ų20283.4 Ų83.4100%0.99546%0.46SS*.  0-50.60-141.6176.7-75.400111.4T3 M4 F5M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 2.73Å; M1-M4 PolarHBondContact O-N 3.46Å; M1-F5 PolarHBondContact O-N 3.35Å; M1-F5 VanDerWaalsContact O-N 3.15Å
2S61.6Low79.9Confident106 Ų10681.2 Ų81.274%0.74145%0.451SS*.Hα-helixtrans-61.6-35178.3-39.40000114.5A6S2-A6 PolarHBondContact O-N 2.94Å; S2-A6 VanDerWaalsContact O-N 3.09Å
3T71.3Confident80.7Confident99 Ų9984.8 Ų84.861%0.60746%0.46SS*.Hα-helixtrans-66.4-45.2175.448.70000112.3M1 F5 A6 D7M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 2.73Å; T3-F5 VanDerWaalsContact C-N 3.31Å; T3-F5 PolarHBondContact O-N 3.44Å; T3-A6 PolarHBondContact O-N 3.34Å; T3-D7 WeakPolarHBondContact O-CB 3.48Å; T3-D7 VanDerWaalsContact O-CG 3.26Å; T3-D7 PolarHBondContact O-N 2.71Å
4M79.1Confident81.3Confident74 Ų7480.4 Ų80.437%0.36544%0.435SS..Hα-helixtrans-63.5-36.4177-66.5-167.517000112.7M1 D7 T8 V113 V114M1-M4 PolarHBondContact O-N 3.46Å; M4-D7 PolarHBondContact O-N 3.25Å; M4-T8 WeakPolarHBondContact O-CB 3.49Å; M4-T8 PolarHBondContact O-N 3.21Å; M4-T8 PolarHBondContact O-OG1 3.09Å; M4-V113 HydrophobicContact CE-CB 3.61Å; M4-V113 HydrophobicContact CE-CG1 3.72Å; M4-V113 WeakPolarHBondContact CE-O 3.43Å; M4-V113 HydrophobicContact SD-CG1 4.2Å; M4-V114 VanDerWaalsContact O-O 3.07Å
5F81.4Confident81.8Confident141 Ų14175.1 Ų75.162%0.61841%0.406SS*.Hα-helixtrans-67.6-42.2175.4-173.2-107.5000111.9M1 T3 T8 I9M1-F5 PolarHBondContact O-N 3.35Å; M1-F5 VanDerWaalsContact O-N 3.15Å; T3-F5 VanDerWaalsContact C-N 3.31Å; T3-F5 PolarHBondContact O-N 3.44Å; F5-T8 PolarHBondContact O-N 3.33Å; F5-I9 HydrophobicContact CD1-CD1 3.71Å; F5-I9 HydrophobicContact CE1-CD1 3.23Å; F5-I9 HydrophobicContact CE1-CG1 4.3Å; F5-I9 HydrophobicContact CE2-CD1 4.29Å; F5-I9 HydrophobicContact CG-CD1 4.43Å; F5-I9 HydrophobicContact CZ-CD1 3.57Å; F5-I9 HydrophobicContact CZ-CG1 4.34Å; F5-I9 WeakPolarHBondContact O-CG1 3.46Å; F5-I9 PolarHBondContact O-N 2.9Å
6A84.9Confident82.4Confident55 Ų5573.5 Ų73.546%0.45540%0.4SS..Hα-helixtrans-62.3-44.2174.100000111.7S2 T3 I9 L10S2-A6 PolarHBondContact O-N 2.94Å; S2-A6 VanDerWaalsContact O-N 3.09Å; T3-A6 PolarHBondContact O-N 3.34Å; A6-I9 PolarHBondContact O-N 3.18Å; A6-L10 VanDerWaalsContact O-CB 3.3Å; A6-L10 WeakPolarHBondContact O-CB 3.4Å; A6-L10 PolarHBondContact O-N 2.96Å
7D85.2Confident82.8Confident34 Ų3472.2 Ų72.218%0.18240%0.397CS..Hα-helixtrans-62.6-44.7176.3-68.9-21.6000110.9T3 M4 I9 L10 I11T3-D7 WeakPolarHBondContact O-CB 3.48Å; T3-D7 VanDerWaalsContact O-CG 3.26Å; T3-D7 PolarHBondContact O-N 2.71Å; M4-D7 PolarHBondContact O-N 3.25Å; D7-I9 PolarHBondContact O-N 3.24Å; D7-L10 PolarHBondContact O-N 3.03Å; D7-I11 WeakPolarHBondContact O-CB 3.49Å; D7-I11 WeakPolarHBondContact O-CD1 3.27Å; D7-I11 WeakPolarHBondContact O-CG1 3.46Å; D7-I11 PolarHBondContact O-N 2.93Å
8T86.7Confident83.1Confident37 Ų3768.6 Ų68.623%0.22738%0.377CS..Hα-helixtrans-57.4-49.3174.9-650000111.6M4 F5 L10 I11 V12 V114 L146M4-T8 WeakPolarHBondContact O-CB 3.49Å; M4-T8 PolarHBondContact O-N 3.21Å; M4-T8 PolarHBondContact O-OG1 3.09Å; F5-T8 PolarHBondContact O-N 3.33Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L10 PolarHBondContact O-N 2.95Å; T8-I11 PolarHBondContact O-N 3.13Å; T8-V12 WeakPolarHBondContact O-CG2 3.31Å; T8-V12 PolarHBondContact O-N 3.31Å; T8-V114 PolarHBondContact OG1-O 3.33Å; T8-L146 HydrophobicContact CG2-CD2 4.19Å
9I87.9Confident83.4Confident90 Ų9064.9 Ų64.946%0.46236%0.357SS..Hα-helixtrans-62.4-44.1178.9-72.7174000110.8F5 A6 D7 I11 V12 F13F5-I9 HydrophobicContact CD1-CD1 3.71Å; F5-I9 HydrophobicContact CE1-CD1 3.23Å; F5-I9 HydrophobicContact CE1-CG1 4.3Å; F5-I9 HydrophobicContact CE2-CD1 4.29Å; F5-I9 HydrophobicContact CG-CD1 4.43Å; F5-I9 HydrophobicContact CZ-CD1 3.57Å; F5-I9 HydrophobicContact CZ-CG1 4.34Å; F5-I9 WeakPolarHBondContact O-CG1 3.46Å; F5-I9 PolarHBondContact O-N 2.9Å; A6-I9 PolarHBondContact O-N 3.18Å; D7-I9 PolarHBondContact O-N 3.24Å; I9-I11 VanDerWaalsContact C-N 3.3Å; I9-I11 PolarHBondContact O-N 3.25Å; I9-V12 PolarHBondContact O-N 3.27Å; I9-F13 WeakPolarHBondContact O-CB 3.5Å; I9-F13 PolarHBondContact O-N 3.17Å
10L88.6Confident83.7Confident79 Ų7966.5 Ų66.541%0.41436%0.364SS..Hα-helixtrans-59.9-43178.4179.761.6000110.9A6 D7 T8 F13 I14 F109A6-L10 VanDerWaalsContact O-CB 3.3Å; A6-L10 WeakPolarHBondContact O-CB 3.4Å; A6-L10 PolarHBondContact O-N 2.96Å; D7-L10 PolarHBondContact O-N 3.03Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L10 PolarHBondContact O-N 2.95Å; L10-F13 PolarHBondContact O-N 3Å; L10-I14 HydrophobicContact CD1-CD1 4.17Å; L10-I14 HydrophobicContact CD1-CG1 4.39Å; L10-I14 HydrophobicContact CG-CD1 3.9Å; L10-I14 WeakPolarHBondContact O-CB 3.11Å; L10-I14 VanDerWaalsContact O-CG1 3.22Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 2.99Å; L10-F109 HydrophobicContact CD2-CZ 4.15Å
11I88.8Confident83.9Confident0 Ų068.2 Ų68.20%037%0.373CS..Hα-helixtrans-64.3-43.8177.7-66.9164.8000111.2D7 T8 I9 F13 I14 S15 F109 V114 F143 L146D7-I11 WeakPolarHBondContact O-CB 3.49Å; D7-I11 WeakPolarHBondContact O-CD1 3.27Å; D7-I11 WeakPolarHBondContact O-CG1 3.46Å; D7-I11 PolarHBondContact O-N 2.93Å; T8-I11 PolarHBondContact O-N 3.13Å; I9-I11 VanDerWaalsContact C-N 3.3Å; I9-I11 PolarHBondContact O-N 3.25Å; I11-F13 VanDerWaalsContact C-N 3.34Å; I11-I14 PolarHBondContact O-N 3.45Å; I11-S15 WeakPolarHBondContact O-CB 3.18Å; I11-S15 PolarHBondContact O-N 2.86Å; I11-F109 HydrophobicContact CG1-CZ 4.46Å; I11-V114 HydrophobicContact CD1-CB 3.51Å; I11-V114 HydrophobicContact CD1-CG1 3.55Å; I11-V114 HydrophobicContact CD1-CG2 3.75Å; I11-F143 HydrophobicContact CB-CE2 4.45Å; I11-F143 HydrophobicContact CD1-CD2 3.66Å; I11-F143 HydrophobicContact CD1-CE2 4.35Å; I11-F143 HydrophobicContact CG1-CD2 3.56Å; I11-F143 HydrophobicContact CG1-CE2 3.75Å; I11-F143 HydrophobicContact CG2-CD2 4.27Å; I11-F143 HydrophobicContact CG2-CE2 4.12Å; I11-L146 HydrophobicContact CB-CD2 4.3Å; I11-L146 HydrophobicContact CD1-CD2 4.23Å; I11-L146 HydrophobicContact CG2-CB 4.32Å; I11-L146 HydrophobicContact CG2-CD2 3.97Å; I11-L146 HydrophobicContact CG2-CG 4.05Å
12V89.5Confident85.4Confident57 Ų5758.7 Ų58.735%0.34533%0.326SS..Hα-helixtrans-61.2-46.1175.5172.90000110T8 I9 I14 S15 V16T8-V12 WeakPolarHBondContact O-CG2 3.31Å; T8-V12 PolarHBondContact O-N 3.31Å; I9-V12 PolarHBondContact O-N 3.27Å; V12-I14 PolarHBondContact O-N 3.44Å; V12-S15 WeakPolarHBondContact CA-OG 3.49Å; V12-S15 PolarHBondContact O-N 2.84Å; V12-S15 VanDerWaalsContact O-N 3.17Å; V12-S15 PolarHBondContact O-OG 2.95Å; V12-V16 WeakPolarHBondContact O-CG2 3.45Å; V12-V16 PolarHBondContact O-N 3.45Å
13F90.6Very high86.6Confident129 Ų12954.1 Ų54.157%0.56629%0.293SS*.Hα-helixtrans-60.1-46.4176.8179.3-100.7000112.3I9 L10 I11 S15 V16 C17I9-F13 WeakPolarHBondContact O-CB 3.5Å; I9-F13 PolarHBondContact O-N 3.17Å; L10-F13 PolarHBondContact O-N 3Å; I11-F13 VanDerWaalsContact C-N 3.34Å; F13-S15 VanDerWaalsContact C-N 3.31Å; F13-S15 PolarHBondContact O-N 3.34Å; F13-V16 PolarHBondContact O-N 3.47Å; F13-C17 VanDerWaalsContact CZ-SG 3.58Å; F13-C17 PolarHBondContact O-N 2.88Å; F13-C17 PolarHBondContact O-SG 3.08Å
14I89.3Confident87.4Confident23 Ų2351 Ų5112%0.11828%0.281CS..Hα-helixtrans-57-47174.3-70.7165.6000109.7L10 I11 V12 V16 C17 T18 F105 Y147L10-I14 HydrophobicContact CD1-CD1 4.17Å; L10-I14 HydrophobicContact CD1-CG1 4.39Å; L10-I14 HydrophobicContact CG-CD1 3.9Å; L10-I14 WeakPolarHBondContact O-CB 3.11Å; L10-I14 VanDerWaalsContact O-CG1 3.22Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 2.99Å; I11-I14 PolarHBondContact O-N 3.45Å; V12-I14 PolarHBondContact O-N 3.44Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 2.92Å; I14-C17 PolarHBondContact O-N 3.31Å; I14-T18 HydrophobicContact CG2-CG2 4.08Å; I14-T18 VanDerWaalsContact O-CG2 3.29Å; I14-T18 WeakPolarHBondContact O-CG2 3.3Å; I14-T18 PolarHBondContact O-N 3.08Å; I14-T18 PolarHBondContact O-OG1 3.25Å; I14-F105 HydrophobicContact CD1-CD1 4.42Å; I14-F105 HydrophobicContact CD1-CE1 3.88Å; I14-F105 HydrophobicContact CD1-CZ 4.08Å; I14-F105 HydrophobicContact CG1-CZ 4.35Å; I14-F105 HydrophobicContact CG2-CD2 4.24Å; I14-F105 HydrophobicContact CG2-CE1 4.32Å; I14-F105 HydrophobicContact CG2-CE2 3.41Å; I14-F105 VanDerWaalsContact CG2-CE2 3.41Å; I14-F105 HydrophobicContact CG2-CZ 3.47Å; I14-F105 VanDerWaalsContact CG2-CZ 3.47Å; I14-Y147 HydrophobicContact CG2-CD2 4.3Å; I14-Y147 HydrophobicContact CG2-CE2 3.98Å
15S89.1Confident87.7Confident0 Ų049.3 Ų49.30%027%0.272CS..Hα-helixtrans-62.5-34.6-179.776.90000113.4I11 V12 F13 T18 A19 C150 T151 I154I11-S15 WeakPolarHBondContact O-CB 3.18Å; I11-S15 PolarHBondContact O-N 2.86Å; V12-S15 WeakPolarHBondContact CA-OG 3.49Å; V12-S15 PolarHBondContact O-N 2.84Å; V12-S15 VanDerWaalsContact O-N 3.17Å; V12-S15 PolarHBondContact O-OG 2.95Å; F13-S15 VanDerWaalsContact C-N 3.31Å; F13-S15 PolarHBondContact O-N 3.34Å; S15-T18 WeakPolarHBondContact CA-OG1 3.36Å; S15-T18 PolarHBondContact O-OG1 3.05Å; S15-A19 WeakPolarHBondContact O-CB 3.15Å; S15-A19 PolarHBondContact O-N 2.84Å; S15-C150 VanDerWaalsContact OG-CB 3.27Å; S15-C150 WeakPolarHBondContact OG-CB 2.94Å; S15-T151 WeakPolarHBondContact CB-OG1 3.33Å; S15-I154 VanDerWaalsContact OG-CD1 3.29Å; S15-I154 WeakPolarHBondContact OG-CD1 3.4Å
16V90.3Very high87.9Confident50 Ų5043.1 Ų43.130%0.30325%0.247SC..Hα-helixtrans-66.9-50173173.40000109.8V12 F13 I14 T18 A19 L20 I154V12-V16 WeakPolarHBondContact O-CG2 3.45Å; V12-V16 PolarHBondContact O-N 3.45Å; F13-V16 PolarHBondContact O-N 3.47Å; I14-V16 VanDerWaalsContact C-N 3.3Å; I14-V16 PolarHBondContact O-N 2.92Å; V16-T18 PolarHBondContact O-N 2.85Å; V16-A19 PolarHBondContact O-N 2.81Å; V16-L20 HydrophobicContact CG1-CD1 3.95Å; V16-L20 HydrophobicContact CG1-CG 4.44Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 3.14Å; V16-I154 HydrophobicContact CG2-CD1 3.64Å
17C90.1Very high87.8Confident51 Ų5147.4 Ų47.435%0.34525%0.251SS..Hα-helixtrans-58.9-44.7178.8-73.40000111.9F13 I14 L20 L21F13-C17 VanDerWaalsContact CZ-SG 3.58Å; F13-C17 PolarHBondContact O-N 2.88Å; F13-C17 PolarHBondContact O-SG 3.08Å; I14-C17 PolarHBondContact O-N 3.31Å; C17-L20 PolarHBondContact O-N 3.1Å; C17-L21 WeakPolarHBondContact O-CB 3.39Å; C17-L21 PolarHBondContact O-N 3.02Å
18T88.3Confident87.9Confident7 Ų749.5 Ų49.54%0.04327%0.265CS..Hα-helixtrans-69.6-36.5179610000112.1I14 S15 V16 L21 A22 L101 Y147I14-T18 HydrophobicContact CG2-CG2 4.08Å; I14-T18 VanDerWaalsContact O-CG2 3.29Å; I14-T18 WeakPolarHBondContact O-CG2 3.3Å; I14-T18 PolarHBondContact O-N 3.08Å; I14-T18 PolarHBondContact O-OG1 3.25Å; S15-T18 WeakPolarHBondContact CA-OG1 3.36Å; S15-T18 PolarHBondContact O-OG1 3.05Å; V16-T18 PolarHBondContact O-N 2.85Å; T18-L21 PolarHBondContact O-N 3.09Å; T18-A22 VanDerWaalsContact O-CB 3.29Å; T18-A22 WeakPolarHBondContact O-CB 3.33Å; T18-A22 PolarHBondContact O-N 3.29Å; T18-L101 HydrophobicContact CG2-CD1 3.65Å; T18-Y147 WeakPolarHBondContact CB-OH 3.25Å; T18-Y147 HydrophobicContact CG2-CE2 4.1Å; T18-Y147 WeakPolarHBondContact CG2-OH 3.1Å; T18-Y147 WeakPolarHBondContact OG1-CE2 3.37Å; T18-Y147 PolarHBondContact OG1-OH 3.31Å
19A88.3Confident87.8Confident0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-63-43.617300000111.8S15 V16 A22 E23 I154 R155 I158S15-A19 WeakPolarHBondContact O-CB 3.15Å; S15-A19 PolarHBondContact O-N 2.84Å; V16-A19 PolarHBondContact O-N 2.81Å; A19-A22 PolarHBondContact O-N 2.8Å; A19-E23 WeakPolarHBondContact O-CB 3.41Å; A19-E23 PolarHBondContact O-N 3.34Å; A19-I154 HydrophobicContact CB-CB 4.43Å; A19-I154 HydrophobicContact CB-CG2 3.88Å; A19-R155 HydrophobicContact CB-CB 4.2Å; A19-I158 HydrophobicContact CB-CD1 4.3Å
20L89.3Confident87.5Confident96 Ų9647.5 Ų47.550%0.50325%0.253SS..Hα-helixtrans-64.9-42.3175.7-71.4171.8000111.9V16 C17 E23 G24 I158V16-L20 HydrophobicContact CG1-CD1 3.95Å; V16-L20 HydrophobicContact CG1-CG 4.44Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 3.14Å; C17-L20 PolarHBondContact O-N 3.1Å; L20-E23 PolarHBondContact O-N 3.25Å; L20-G24 PolarHBondContact O-N 2.59Å; L20-I158 HydrophobicContact CD2-CD1 3.95Å; L20-I158 HydrophobicContact CG-CD1 4.4Å
21L87.9Confident87.1Confident103 Ų10345 Ų4554%0.53924%0.238SC..Hα-helixtrans-64.2-44177.7-149.3168000110.7C17 T18 E23 G24 I25C17-L21 WeakPolarHBondContact O-CB 3.39Å; C17-L21 PolarHBondContact O-N 3.02Å; T18-L21 PolarHBondContact O-N 3.09Å; L21-E23 PolarHBondContact O-N 3.05Å; L21-G24 PolarHBondContact O-N 3.43Å; L21-I25 HydrophobicContact CD2-CD1 3.49Å; L21-I25 VanDerWaalsContact CD2-CD1 3.49Å; L21-I25 HydrophobicContact CD2-CG1 3.95Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.45Å
22A86.1Confident86.9Confident2 Ų253.2 Ų53.22%0.01727%0.269CS..Hα-helixtrans-61.7-41.7174.900000112.6T18 A19 T26 I94 F98T18-A22 VanDerWaalsContact O-CB 3.29Å; T18-A22 WeakPolarHBondContact O-CB 3.33Å; T18-A22 PolarHBondContact O-N 3.29Å; A19-A22 PolarHBondContact O-N 2.8Å; A22-T26 WeakPolarHBondContact O-CB 3.39Å; A22-T26 PolarHBondContact O-N 3.49Å; A22-T26 PolarHBondContact O-OG1 3.18Å; A22-I94 HydrophobicContact CB-CG2 3.74Å; A22-F98 HydrophobicContact CB-CE1 3.86Å; A22-F98 HydrophobicContact CB-CE2 4.5Å; A22-F98 HydrophobicContact CB-CZ 3.56Å
23E85.5Confident86.7Confident10 Ų1053.2 Ų53.25%0.04727%0.27CS..Hα-helixtrans-68.9-37.2175.8-162.461.8-156.800111.3A19 L20 L21 T26 W27 Y31 I158 Q159 L162 L164A19-E23 WeakPolarHBondContact O-CB 3.41Å; A19-E23 PolarHBondContact O-N 3.34Å; L20-E23 PolarHBondContact O-N 3.25Å; L21-E23 PolarHBondContact O-N 3.05Å; E23-T26 CarbonylContact O-C 3.57Å; E23-T26 WeakPolarHBondContact O-CB 2.91Å; E23-T26 PolarHBondContact O-N 2.89Å; E23-W27 WeakPolarHBondContact O-CB 3.47Å; E23-W27 PolarHBondContact O-N 3.5Å; E23-Y31 WeakPolarHBondContact OE1-CE2 3.49Å; E23-I158 HydrophobicContact CG-CG2 4.17Å; E23-Q159 WeakPolarHBondContact OE2-CG 3.49Å; E23-Q159 PolarHBondContact OE2-NE2 2.93Å; E23-L162 HydrophobicContact CG-CD1 4.23Å; E23-L164 VanDerWaalsContact OE1-CD1 3.27Å; E23-L164 WeakPolarHBondContact OE1-CD1 3.45Å
24G87.8Confident86.5Confident34 Ų3451.8 Ų51.835%0.35127%0.265SS..Hα-helixtrans-60.8-46.8172.700000112.7L20 L21 T26 W27 V28L20-G24 PolarHBondContact O-N 2.59Å; L21-G24 PolarHBondContact O-N 3.43Å; G24-T26 VanDerWaalsContact C-N 3.32Å; G24-T26 PolarHBondContact O-N 2.99Å; G24-W27 WeakPolarHBondContact O-CB 3.36Å; G24-W27 PolarHBondContact O-N 2.95Å; G24-W27 VanDerWaalsContact O-N 3.14Å; G24-V28 WeakPolarHBondContact O-CG2 3.5Å; G24-V28 PolarHBondContact O-N 3.44Å
25I86.4Confident86.3Confident37 Ų3756.4 Ų56.419%0.1928%0.284CS..Hα-helixtrans-59.9-45173.2-69.1168.2000110.3L21 W27 V28 L29 I94L21-I25 HydrophobicContact CD2-CD1 3.49Å; L21-I25 VanDerWaalsContact CD2-CD1 3.49Å; L21-I25 HydrophobicContact CD2-CG1 3.95Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.45Å; I25-W27 VanDerWaalsContact C-N 3.25Å; I25-W27 PolarHBondContact O-N 3.43Å; I25-V28 PolarHBondContact O-N 2.89Å; I25-L29 HydrophobicContact CG2-CD1 3.65Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 3.38Å; I25-I94 HydrophobicContact CB-CG1 4.32Å; I25-I94 HydrophobicContact CG2-CG1 3.95Å
26T84.3Confident86.1Confident12 Ų1256.7 Ų56.77%0.07429%0.285CS..Hα-helixtrans-58.7-41.7176.1-53.40000110.5A22 E23 G24 V30 Y31 I94A22-T26 WeakPolarHBondContact O-CB 3.39Å; A22-T26 PolarHBondContact O-N 3.49Å; A22-T26 PolarHBondContact O-OG1 3.18Å; E23-T26 CarbonylContact O-C 3.57Å; E23-T26 WeakPolarHBondContact O-CB 2.91Å; E23-T26 PolarHBondContact O-N 2.89Å; G24-T26 VanDerWaalsContact C-N 3.32Å; G24-T26 PolarHBondContact O-N 2.99Å; T26-V30 HydrophobicContact CG2-CB 4.24Å; T26-V30 HydrophobicContact CG2-CG2 4.05Å; T26-V30 WeakPolarHBondContact O-CA 3.47Å; T26-V30 WeakPolarHBondContact O-CB 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.32Å; T26-V30 PolarHBondContact O-N 2.98Å; T26-Y31 HydrophobicContact CG2-CD2 4.39Å; T26-Y31 HydrophobicContact CG2-CE2 3.68Å; T26-Y31 PolarHBondContact O-N 3.16Å; T26-I94 WeakPolarHBondContact OG1-CD1 3.43Å
27W84.9Confident85.9Confident144 Ų14459.1 Ų59.155%0.54529%0.292SS..Iπ-helixtrans-66.7-46.6-179.5-172.795.6000112.9E23 G24 I25 Y31 R32E23-W27 WeakPolarHBondContact O-CB 3.47Å; E23-W27 PolarHBondContact O-N 3.5Å; G24-W27 WeakPolarHBondContact O-CB 3.36Å; G24-W27 PolarHBondContact O-N 2.95Å; G24-W27 VanDerWaalsContact O-N 3.14Å; I25-W27 VanDerWaalsContact C-N 3.25Å; I25-W27 PolarHBondContact O-N 3.43Å; W27-Y31 VanDerWaalsContact CA-CD2 3.48Å; W27-Y31 HydrophobicContact CB-CD2 3.88Å; W27-Y31 AromaticContact CD1-CD2 3.78Å; W27-Y31 HydrophobicContact CG-CD2 4.14Å; W27-Y31 PolarHBondContact O-N 3.23Å; W27-R32 PolarHBondContact O-N 3.34Å
28V86.7Confident85.8Confident78 Ų7865.2 Ų65.247%0.47331%0.307SS..Iπ-helixtrans-65.2-44.3179.5173.90000111.6G24 I25G24-V28 WeakPolarHBondContact O-CG2 3.5Å; G24-V28 PolarHBondContact O-N 3.44Å; I25-V28 PolarHBondContact O-N 2.89Å
29L83.3Confident85.6Confident85 Ų8566 Ų6645%0.44531%0.311SS..Iπ-helixtrans-87-34.8-173.9-62.5179.7000113.6I25 T33 S90 A93I25-L29 HydrophobicContact CG2-CD1 3.65Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 3.38Å; L29-T33 PolarHBondContact O-OG1 3.27Å; L29-S90 WeakPolarHBondContact CB-OG 3.26Å; L29-A93 HydrophobicContact CD1-CB 4.19Å
30V83.6Confident85.4Confident1 Ų169.2 Ų69.21%0.00633%0.325CS..Iπ-helixtrans-103-64.2-175.4-1730000111T26 R32 T33 Y36 V86 R87 S90T26-V30 HydrophobicContact CG2-CB 4.24Å; T26-V30 HydrophobicContact CG2-CG2 4.05Å; T26-V30 WeakPolarHBondContact O-CA 3.47Å; T26-V30 WeakPolarHBondContact O-CB 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.32Å; T26-V30 PolarHBondContact O-N 2.98Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.01Å; V30-T33 WeakPolarHBondContact O-CB 3.28Å; V30-T33 PolarHBondContact O-N 2.89Å; V30-Y36 HydrophobicContact CG1-CD1 4.17Å; V30-Y36 HydrophobicContact CG1-CD2 3.31Å; V30-Y36 HydrophobicContact CG1-CE1 4.43Å; V30-Y36 HydrophobicContact CG1-CE2 3.62Å; V30-Y36 HydrophobicContact CG1-CG 3.61Å; V30-Y36 VanDerWaalsContact O-CB 3.22Å; V30-Y36 WeakPolarHBondContact O-CB 3.36Å; V30-V86 HydrophobicContact CG1-CG1 4.29Å; V30-R87 HydrophobicContact CG1-CG 4.23Å; V30-S90 WeakPolarHBondContact CG2-OG 3.32Å
31Y79.6Confident85.3Confident25 Ų2567.4 Ų67.410%0.09832%0.324CS..Iπ-helixtrans-66.2-31.5-167.4-61.6-44.8000113.2E23 T26 W27 T33 Y36 K37 L164E23-Y31 WeakPolarHBondContact OE1-CE2 3.49Å; T26-Y31 HydrophobicContact CG2-CD2 4.39Å; T26-Y31 HydrophobicContact CG2-CE2 3.68Å; T26-Y31 PolarHBondContact O-N 3.16Å; W27-Y31 VanDerWaalsContact CA-CD2 3.48Å; W27-Y31 HydrophobicContact CB-CD2 3.88Å; W27-Y31 AromaticContact CD1-CD2 3.78Å; W27-Y31 HydrophobicContact CG-CD2 4.14Å; W27-Y31 PolarHBondContact O-N 3.23Å; Y31-T33 VanDerWaalsContact C-N 3.29Å; Y31-T33 PolarHBondContact O-N 3.35Å; Y31-Y36 AromaticContact CD1-CD1 3.97Å; Y31-Y36 HydrophobicContact CD1-CD1 3.97Å; Y31-Y36 AromaticContact CD1-CE1 3.39Å; Y31-Y36 HydrophobicContact CD1-CE1 3.39Å; Y31-Y36 AromaticContact CD1-CZ 3.85Å; Y31-Y36 AromaticContact CE1-CE1 3.76Å; Y31-Y36 HydrophobicContact CE1-CE1 3.76Å; Y31-Y36 AromaticContact CE1-CZ 3.73Å; Y31-Y36 WeakPolarHBondContact CE1-OH 3.31Å; Y31-K37 WeakPolarHBondContact O-CE 3.44Å; Y31-L164 HydrophobicContact CD1-CD2 4.16Å; Y31-L164 HydrophobicContact CD2-CD1 4Å; Y31-L164 HydrophobicContact CD2-CD2 3.92Å; Y31-L164 HydrophobicContact CD2-CG 4.49Å; Y31-L164 HydrophobicContact CE1-CD2 3.98Å; Y31-L164 HydrophobicContact CE2-CB 4.1Å; Y31-L164 HydrophobicContact CE2-CD1 3.57Å; Y31-L164 HydrophobicContact CE2-CD2 3.81Å; Y31-L164 HydrophobicContact CE2-CG 4.01Å; Y31-L164 HydrophobicContact CG-CD2 4.16Å; Y31-L164 WeakPolarHBondContact OH-CB 3.33Å; Y31-L164 PolarHBondContact OH-O 3.01Å
32R83.6Confident85.2Confident173 Ų17366.5 Ų66.565%0.65332%0.317SS*.THydrogen-bonded Turntrans-69-26.4175.6-167.5178.5179.7-171.91113.3W27 V30 E34W27-R32 PolarHBondContact O-N 3.34Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.01Å; R32-E34 PolarHBondContact O-N 3.41Å
33T86.5Confident85.1Confident57 Ų5766.7 Ų66.735%0.3532%0.318SS..  trans-73.3125.9-170.5-580000111.8L29 V30 Y31 K35 Y36 K37L29-T33 PolarHBondContact O-OG1 3.27Å; V30-T33 WeakPolarHBondContact O-CB 3.28Å; V30-T33 PolarHBondContact O-N 2.89Å; Y31-T33 VanDerWaalsContact C-N 3.29Å; Y31-T33 PolarHBondContact O-N 3.35Å; T33-K35 HydrophobicContact CG2-CB 3.89Å; T33-K35 PolarHBondContact O-N 2.94Å; T33-Y36 WeakPolarHBondContact O-CB 3.27Å; T33-Y36 PolarHBondContact O-N 2.86Å; T33-K37 PolarHBondContact O-N 2.93Å
34E85.5Confident85.1Confident100 Ų10069.8 Ų69.847%0.46733%0.333SS..Hα-helixtrans-56.8-36.5178.7-71.2-57.4125.100112.9R32 Y36 K37 R38R32-E34 PolarHBondContact O-N 3.41Å; E34-Y36 VanDerWaalsContact C-N 3.31Å; E34-Y36 PolarHBondContact O-N 3.09Å; E34-K37 PolarHBondContact O-N 3.32Å; E34-K37 IonicContact OE1-NZ 2.8Å; E34-K37 PolarHBondContact OE1-NZ 3.16Å; E34-R38 WeakPolarHBondContact O-CB 3.34Å; E34-R38 VanDerWaalsContact O-CG 3.3Å; E34-R38 WeakPolarHBondContact O-CG 3.37Å; E34-R38 PolarHBondContact O-N 3.27Å
35K84.8Confident85.1Confident119 Ų11974.6 Ų74.652%0.51734%0.344SS..Hα-helixtrans-55.1-45.7172.5-175.5172.6-179.2175.60111.6T33 L39 V86T33-K35 HydrophobicContact CG2-CB 3.89Å; T33-K35 PolarHBondContact O-N 2.94Å; K35-L39 HydrophobicContact CG-CD1 3.62Å; K35-L39 WeakPolarHBondContact O-CB 3.4Å; K35-L39 WeakPolarHBondContact O-CD1 3.22Å; K35-L39 PolarHBondContact O-N 3.45Å; K35-V86 HydrophobicContact CD-CG2 4.17Å; K35-V86 HydrophobicContact CG-CG2 4.45Å
36Y84.9Confident84.9Confident7 Ų775.5 Ų75.53%0.02735%0.347CS..Hα-helixtrans-66-45.5179.9177.8-95.8000111.8V30 Y31 T33 E34 R38 L39 K40 L83 V86 R87V30-Y36 HydrophobicContact CG1-CD1 4.17Å; V30-Y36 HydrophobicContact CG1-CD2 3.31Å; V30-Y36 HydrophobicContact CG1-CE1 4.43Å; V30-Y36 HydrophobicContact CG1-CE2 3.62Å; V30-Y36 HydrophobicContact CG1-CG 3.61Å; V30-Y36 VanDerWaalsContact O-CB 3.22Å; V30-Y36 WeakPolarHBondContact O-CB 3.36Å; Y31-Y36 AromaticContact CD1-CD1 3.97Å; Y31-Y36 HydrophobicContact CD1-CD1 3.97Å; Y31-Y36 AromaticContact CD1-CE1 3.39Å; Y31-Y36 HydrophobicContact CD1-CE1 3.39Å; Y31-Y36 AromaticContact CD1-CZ 3.85Å; Y31-Y36 AromaticContact CE1-CE1 3.76Å; Y31-Y36 HydrophobicContact CE1-CE1 3.76Å; Y31-Y36 AromaticContact CE1-CZ 3.73Å; Y31-Y36 WeakPolarHBondContact CE1-OH 3.31Å; T33-Y36 WeakPolarHBondContact O-CB 3.27Å; T33-Y36 PolarHBondContact O-N 2.86Å; E34-Y36 VanDerWaalsContact C-N 3.31Å; E34-Y36 PolarHBondContact O-N 3.09Å; Y36-R38 PolarHBondContact O-N 3.13Å; Y36-L39 PolarHBondContact O-N 3.24Å; Y36-K40 HydrophobicContact CE1-CB 4.35Å; Y36-K40 HydrophobicContact CE1-CD 3.87Å; Y36-K40 VanDerWaalsContact O-CB 3.25Å; Y36-K40 WeakPolarHBondContact O-CB 3.45Å; Y36-K40 PolarHBondContact O-N 2.98Å; Y36-L83 HydrophobicContact CE2-CD1 4.42Å; Y36-L83 HydrophobicContact CE2-CG 4.29Å; Y36-V86 HydrophobicContact CD2-CG1 4.35Å; Y36-R87 HydrophobicContact CE2-CG 4.12Å; Y36-R87 PolarHBondContact OH-NH2 2.94Å
37K85.9Confident84.9Confident100 Ų10075 Ų7544%0.43534%0.344SS..Hα-helixtrans-58.9-46.7178.3-62.5178.3-169.4164.50111.6Y31 T33 E34 K40 A41Y31-K37 WeakPolarHBondContact O-CE 3.44Å; T33-K37 PolarHBondContact O-N 2.93Å; E34-K37 PolarHBondContact O-N 3.32Å; E34-K37 IonicContact OE1-NZ 2.8Å; E34-K37 PolarHBondContact OE1-NZ 3.16Å; K37-K40 PolarHBondContact O-N 2.95Å; K37-A41 WeakPolarHBondContact O-CB 3.46Å; K37-A41 PolarHBondContact O-N 3Å
38R88.4Confident84.9Confident179 Ų17973.6 Ų73.668%0.67534%0.342SS*.Hα-helixtrans-62.3-51.4178.1-70.2177.3-173.8-169.91111.9E34 Y36 K40 A41 E42E34-R38 WeakPolarHBondContact O-CB 3.34Å; E34-R38 VanDerWaalsContact O-CG 3.3Å; E34-R38 WeakPolarHBondContact O-CG 3.37Å; E34-R38 PolarHBondContact O-N 3.27Å; Y36-R38 PolarHBondContact O-N 3.13Å; R38-K40 VanDerWaalsContact C-N 3.35Å; R38-K40 PolarHBondContact O-N 2.88Å; R38-A41 PolarHBondContact O-N 2.99Å; R38-E42 WeakPolarHBondContact O-CB 3.5Å; R38-E42 PolarHBondContact O-N 3.43Å
39L84.1Confident84.8Confident23 Ų2375.5 Ų75.512%0.1234%0.344CS..Hα-helixtrans-62.9-40.5178.9-9090000112.2K35 Y36 A41 E42 V43 D82 L83K35-L39 HydrophobicContact CG-CD1 3.62Å; K35-L39 WeakPolarHBondContact O-CB 3.4Å; K35-L39 WeakPolarHBondContact O-CD1 3.22Å; K35-L39 PolarHBondContact O-N 3.45Å; Y36-L39 PolarHBondContact O-N 3.24Å; L39-A41 PolarHBondContact O-N 3.34Å; L39-E42 PolarHBondContact O-N 3.25Å; L39-V43 WeakPolarHBondContact O-CB 3.45Å; L39-V43 VanDerWaalsContact O-CG2 3.26Å; L39-V43 WeakPolarHBondContact O-CG2 3.22Å; L39-V43 PolarHBondContact O-N 3.44Å; L39-D82 HydrophobicContact CD2-CB 3.38Å; L39-L83 HydrophobicContact CB-CB 4.34Å; L39-L83 HydrophobicContact CB-CD1 4.1Å; L39-L83 HydrophobicContact CD2-CB 4.08Å
40K84.6Confident84.7Confident68 Ų6871.6 Ų71.630%0.29632%0.323SS..Hα-helixtrans-60.6-47.6177.9-175.4-178.1177.8-174.80110.7Y36 K37 R38 E44 L83Y36-K40 HydrophobicContact CE1-CB 4.35Å; Y36-K40 HydrophobicContact CE1-CD 3.87Å; Y36-K40 VanDerWaalsContact O-CB 3.25Å; Y36-K40 WeakPolarHBondContact O-CB 3.45Å; Y36-K40 PolarHBondContact O-N 2.98Å; K37-K40 PolarHBondContact O-N 2.95Å; R38-K40 VanDerWaalsContact C-N 3.35Å; R38-K40 PolarHBondContact O-N 2.88Å; K40-E44 WeakPolarHBondContact O-CB 3.47Å; K40-E44 PolarHBondContact O-N 3.48Å; K40-L83 HydrophobicContact CB-CD1 4.03Å
41A87Confident84.6Confident58 Ų5874.7 Ų74.748%0.47934%0.338SS..Hα-helixtrans-64.2-40.3178.300000112.4K37 R38 L39 K45K37-A41 WeakPolarHBondContact O-CB 3.46Å; K37-A41 PolarHBondContact O-N 3Å; R38-A41 PolarHBondContact O-N 2.99Å; L39-A41 PolarHBondContact O-N 3.34Å; A41-K45 VanDerWaalsContact O-CB 3.25Å; A41-K45 WeakPolarHBondContact O-CB 3.27Å; A41-K45 PolarHBondContact O-N 2.96Å
42E86.3Confident84.9Confident85 Ų8580.2 Ų80.240%0.39736%0.362SS..Hα-helixtrans-65.6-48.5177.6-174.5173.8176.600111.9R38 L39 E44 K45 Q46 N79R38-E42 WeakPolarHBondContact O-CB 3.5Å; R38-E42 PolarHBondContact O-N 3.43Å; L39-E42 PolarHBondContact O-N 3.25Å; E42-E44 VanDerWaalsContact C-N 3.34Å; E42-E44 PolarHBondContact O-N 3.27Å; E42-K45 PolarHBondContact O-N 2.88Å; E42-Q46 HydrophobicContact CG-CG 4.28Å; E42-Q46 VanDerWaalsContact O-CB 3.3Å; E42-Q46 WeakPolarHBondContact O-CB 3.44Å; E42-Q46 WeakPolarHBondContact O-CG 3.04Å; E42-Q46 PolarHBondContact O-N 3.02Å; E42-Q46 PolarHBondContact OE1-NE2 3.34Å; E42-N79 PolarHBondContact OE1-ND2 3.37Å
43V84.6Confident84.7Confident5 Ų576.4 Ų76.43%0.0335%0.35CS..Hα-helixtrans-59.4-45.3177.4169.30000110.5L39 Q46 S47 L76 N79 L83 A170L39-V43 WeakPolarHBondContact O-CB 3.45Å; L39-V43 VanDerWaalsContact O-CG2 3.26Å; L39-V43 WeakPolarHBondContact O-CG2 3.22Å; L39-V43 PolarHBondContact O-N 3.44Å; V43-Q46 PolarHBondContact O-N 3.4Å; V43-S47 WeakPolarHBondContact O-CB 3.35Å; V43-S47 PolarHBondContact O-N 3.47Å; V43-L76 HydrophobicContact CB-CD1 4.47Å; V43-L76 HydrophobicContact CG1-CD1 4.18Å; V43-N79 HydrophobicContact CG2-CB 3.88Å; V43-L83 HydrophobicContact CG2-CD1 4.34Å; V43-A170 HydrophobicContact CG1-CB 4.33Å
44E84.8Confident84.3Confident76 Ų7678.7 Ų78.736%0.35536%0.355SS..Hα-helixtrans-65.4-43.2179.8-165.1-176.8153.100112.3K40 E42 K48K40-E44 WeakPolarHBondContact O-CB 3.47Å; K40-E44 PolarHBondContact O-N 3.48Å; E42-E44 VanDerWaalsContact C-N 3.34Å; E42-E44 PolarHBondContact O-N 3.27Å; E44-K48 HydrophobicContact CG-CD 4.38Å; E44-K48 WeakPolarHBondContact O-CB 3.32Å; E44-K48 WeakPolarHBondContact O-CG 3.42Å; E44-K48 PolarHBondContact O-N 2.84Å; E44-K48 IonicContact OE1-NZ 2.71Å; E44-K48 PolarHBondContact OE1-NZ 2.81Å
45K86.9Confident83.9Confident135 Ų13581.5 Ų81.559%0.58737%0.369SS*.Hα-helixtrans-65.2-43.1177.8-175.1177.9-175.9176.40111.8A41 E42 K49A41-K45 VanDerWaalsContact O-CB 3.25Å; A41-K45 WeakPolarHBondContact O-CB 3.27Å; A41-K45 PolarHBondContact O-N 2.96Å; E42-K45 PolarHBondContact O-N 2.88Å; K45-K49 WeakPolarHBondContact O-CB 3.43Å; K45-K49 VanDerWaalsContact O-CG 3.27Å; K45-K49 WeakPolarHBondContact O-CG 3.3Å; K45-K49 PolarHBondContact O-N 2.83Å
46Q83.9Confident83.4Confident56 Ų5681.3 Ų81.326%0.26238%0.377SS..Hα-helixtrans-71.2-40.2179.4-74.7178.4-9.900111.7E42 V43 K49 L50 L76 N79E42-Q46 HydrophobicContact CG-CG 4.28Å; E42-Q46 VanDerWaalsContact O-CB 3.3Å; E42-Q46 WeakPolarHBondContact O-CB 3.44Å; E42-Q46 WeakPolarHBondContact O-CG 3.04Å; E42-Q46 PolarHBondContact O-N 3.02Å; E42-Q46 PolarHBondContact OE1-NE2 3.34Å; V43-Q46 PolarHBondContact O-N 3.4Å; Q46-K49 PolarHBondContact O-N 2.99Å; Q46-L50 WeakPolarHBondContact O-CB 3.25Å; Q46-L50 PolarHBondContact O-N 3.24Å; Q46-L76 HydrophobicContact CB-CD1 3.75Å; Q46-N79 PolarHBondContact OE1-ND2 2.92Å
47S82.8Confident82.8Confident1 Ų183.6 Ų83.61%0.00739%0.39CS..Hα-helixtrans-62.5-49177.6-168.40000111.6V43 K49 L50 E51 Q173V43-S47 WeakPolarHBondContact O-CB 3.35Å; V43-S47 PolarHBondContact O-N 3.47Å; S47-K49 VanDerWaalsContact C-N 3.32Å; S47-K49 PolarHBondContact O-N 3.3Å; S47-L50 PolarHBondContact O-N 3.18Å; S47-L50 VanDerWaalsContact O-N 3.13Å; S47-E51 PolarHBondContact O-N 2.94Å; S47-Q173 PolarHBondContact OG-OE1 2.77Å
48K85.1Confident81.7Confident114 Ų11483.8 Ų83.850%0.49640%0.399SS..Hα-helixtrans-58.6-40.1174.6-76.9173.5172.3167.10112.9E44 K52E44-K48 HydrophobicContact CG-CD 4.38Å; E44-K48 WeakPolarHBondContact O-CB 3.32Å; E44-K48 WeakPolarHBondContact O-CG 3.42Å; E44-K48 PolarHBondContact O-N 2.84Å; E44-K48 IonicContact OE1-NZ 2.71Å; E44-K48 PolarHBondContact OE1-NZ 2.81Å; K48-K52 WeakPolarHBondContact O-CG 3.31Å; K48-K52 PolarHBondContact O-N 2.97Å
49K84.4Confident80.3Confident119 Ų11983.9 Ų83.952%0.51741%0.408SS..Hα-helixtrans-67.3-38.2177.2-78179.6178.8-166.20112.2K45 Q46 S47 K53K45-K49 WeakPolarHBondContact O-CB 3.43Å; K45-K49 VanDerWaalsContact O-CG 3.27Å; K45-K49 WeakPolarHBondContact O-CG 3.3Å; K45-K49 PolarHBondContact O-N 2.83Å; Q46-K49 PolarHBondContact O-N 2.99Å; S47-K49 VanDerWaalsContact C-N 3.32Å; S47-K49 PolarHBondContact O-N 3.3Å; K49-K53 WeakPolarHBondContact O-CB 3.48Å; K49-K53 VanDerWaalsContact O-CG 3.31Å; K49-K53 WeakPolarHBondContact O-CG 3.47Å; K49-K53 PolarHBondContact O-N 3.32Å
50L81.3Confident79.2Confident3 Ų388 Ų882%0.01644%0.438CS..Hα-helixtrans-70.4-42.2180-175.167.6000111.4Q46 S47 K53 K54 I69 Q72 E73 L76Q46-L50 WeakPolarHBondContact O-CB 3.25Å; Q46-L50 PolarHBondContact O-N 3.24Å; S47-L50 PolarHBondContact O-N 3.18Å; S47-L50 VanDerWaalsContact O-N 3.13Å; L50-K53 PolarHBondContact O-N 3.39Å; L50-K54 WeakPolarHBondContact O-CG 3.38Å; L50-K54 PolarHBondContact O-N 3.21Å; L50-I69 HydrophobicContact CD1-CG2 3.87Å; L50-Q72 HydrophobicContact CD1-CB 4.15Å; L50-E73 HydrophobicContact CD1-CG 4.09Å; L50-E73 HydrophobicContact CD2-CG 3.56Å; L50-E73 HydrophobicContact CG-CG 4.4Å; L50-L76 HydrophobicContact CB-CD2 4.46Å; L50-L76 HydrophobicContact CD2-CD2 3.69Å
51E82.5Confident78.3Confident66 Ų6685.3 Ų85.331%0.30843%0.429SS..Hα-helixtrans-59.9-50.5175.9-72.7-165.6142.400111.5S47 K53 K54 E55S47-E51 PolarHBondContact O-N 2.94Å; E51-K53 VanDerWaalsContact C-N 3.26Å; E51-K53 PolarHBondContact O-N 2.98Å; E51-K54 PolarHBondContact O-N 3.22Å; E51-E55 WeakPolarHBondContact O-CG 3.43Å; E51-E55 PolarHBondContact O-N 3.45Å
52K84.4Confident77.6Confident141 Ų14184.6 Ų84.661%0.61343%0.427SS*.Hα-helixtrans-55.8-41.3175.7-71.3-176.3177.9-166.10112.7K48 E55 T56K48-K52 WeakPolarHBondContact O-CG 3.31Å; K48-K52 PolarHBondContact O-N 2.97Å; K52-E55 PolarHBondContact O-N 3.06Å; K52-T56 PolarHBondContact O-N 3.45Å; K52-T56 VanDerWaalsContact O-N 3.09Å; K52-T56 PolarHBondContact O-OG1 2.97Å
53K79.5Confident77.2Confident92 Ų9291.6 Ų91.640%0.445%0.449SS..Hα-helixtrans-66.9-37.5177.5-78.3-178.7179.4-1660112.5K49 L50 E51 I57 Q72K49-K53 WeakPolarHBondContact O-CB 3.48Å; K49-K53 VanDerWaalsContact O-CG 3.31Å; K49-K53 WeakPolarHBondContact O-CG 3.47Å; K49-K53 PolarHBondContact O-N 3.32Å; L50-K53 PolarHBondContact O-N 3.39Å; E51-K53 VanDerWaalsContact C-N 3.26Å; E51-K53 PolarHBondContact O-N 2.98Å; K53-I57 WeakPolarHBondContact O-CD1 3.43Å; K53-I57 WeakPolarHBondContact O-CG1 3.39Å; K53-I57 PolarHBondContact O-N 3.45Å; K53-Q72 VanDerWaalsContact NZ-NE2 3.19Å
54K78Confident76.9Confident105 Ų10598.9 Ų98.946%0.45748%0.483SS..Hα-helixtrans-67.5-38.9175.8-75.9-169.6173.7-159.30112.3L50 E51 T56 I57 E73L50-K54 WeakPolarHBondContact O-CG 3.38Å; L50-K54 PolarHBondContact O-N 3.21Å; E51-K54 PolarHBondContact O-N 3.22Å; K54-T56 VanDerWaalsContact C-N 3.33Å; K54-I57 PolarHBondContact O-N 3.35Å; K54-E73 WeakPolarHBondContact CE-OE1 3.5Å; K54-E73 IonicContact NZ-OE1 2.59Å; K54-E73 PolarHBondContact NZ-OE1 3.28Å
55E78.3Confident76.6Confident159 Ų159100.4 Ų100.474%0.74349%0.49SS*.Hα-helixtrans-67.1-34.4176.5-70.7172172.800112.5E51 K52 I57E51-E55 WeakPolarHBondContact O-CG 3.43Å; E51-E55 PolarHBondContact O-N 3.45Å; K52-E55 PolarHBondContact O-N 3.06Å; E55-I57 PolarHBondContact O-N 2.86Å
56T74.2Confident76.2Confident115 Ų11599.3 Ų99.371%0.70649%0.486SS*.THydrogen-bonded Turntrans-81.3-0.3179.8-42.10000112.7K52 K54K52-T56 PolarHBondContact O-N 3.45Å; K52-T56 VanDerWaalsContact O-N 3.09Å; K52-T56 PolarHBondContact O-OG1 2.97Å; K54-T56 VanDerWaalsContact C-N 3.33Å
57I71.1Confident76.2Confident55 Ų55102.5 Ų102.528%0.28250%0.499SS..  trans-94.8104.4-179-79.8165.5000109.8K53 K54 E55 A61 I69K53-I57 WeakPolarHBondContact O-CD1 3.43Å; K53-I57 WeakPolarHBondContact O-CG1 3.39Å; K53-I57 PolarHBondContact O-N 3.45Å; K54-I57 PolarHBondContact O-N 3.35Å; E55-I57 PolarHBondContact O-N 2.86Å; I57-A61 HydrophobicContact CB-CB 4.45Å; I57-A61 HydrophobicContact CG1-CB 4.29Å; I57-A61 HydrophobicContact CG2-CB 3.6Å; I57-I69 HydrophobicContact CD1-CD1 2.97Å; I57-I69 HydrophobicContact CD1-CG1 4.07Å; I57-I69 HydrophobicContact CG1-CD1 4.4Å
58T63.5Low76.3Confident104 Ų104109.2 Ų109.264%0.63853%0.528SS*.  trans-68.3151.8162-47.60000109.5S60 A61T58-S60 PolarHBondContact O-N 2.85Å; T58-A61 WeakPolarHBondContact O-CB 3.33Å; T58-A61 PolarHBondContact O-N 2.95Å
59E60.2Low76.1Confident182 Ų182104.7 Ų104.785%0.8551%0.509SS*.THydrogen-bonded Turntrans-52-21.4-179.2-66.5-174.9149.800114.2A61E59-A61 VanDerWaalsContact C-N 3.27Å; E59-A61 PolarHBondContact O-N 3.47Å
60S59.3Low76.1Confident108 Ų108104.7 Ų104.776%0.75551%0.511SS*.THydrogen-bonded Turntrans-75.91.4175.9-33.90000115.3T58 G62T58-S60 PolarHBondContact O-N 2.85Å; S60-G62 PolarHBondContact O-N 2.85Å
61A65.9Low76.3Confident13 Ų13112.1 Ų112.111%0.10754%0.539CS..  trans-61.1119.4179.300000111.8I57 T58 E59 Q65 K66I57-A61 HydrophobicContact CB-CB 4.45Å; I57-A61 HydrophobicContact CG1-CB 4.29Å; I57-A61 HydrophobicContact CG2-CB 3.6Å; T58-A61 WeakPolarHBondContact O-CB 3.33Å; T58-A61 PolarHBondContact O-N 2.95Å; E59-A61 VanDerWaalsContact C-N 3.27Å; E59-A61 PolarHBondContact O-N 3.47Å; A61-Q65 HydrophobicContact CB-CB 4.37Å; A61-K66 WeakPolarHBondContact O-CE 3.38Å
62G72.7Confident76.3Confident42 Ų42112.6 Ų112.643%0.43354%0.541SS..  trans-59.8155.4-175.400000113.7S60 Q64 Q65 K66S60-G62 PolarHBondContact O-N 2.85Å; G62-Q64 PolarHBondContact O-N 3Å; G62-Q65 PolarHBondContact O-N 3.47Å; G62-K66 PolarHBondContact O-N 3.41Å
63R78.8Confident76.2Confident232 Ų232109.2 Ų109.288%0.87553%0.527SS*.Hα-helixtrans-48.7-30.8-179.4-165.4174.2-177.6-179.60.9113.6K67R63-K67 WeakPolarHBondContact O-CB 3.45Å; R63-K67 PolarHBondContact O-N 3.14Å; R63-K67 VanDerWaalsContact O-N 3.09Å
64Q77.3Confident76.4Confident158 Ų158110.8 Ų110.874%0.73854%0.536SS*.Hα-helixtrans-69.8-38.5174.6-77.9-174.3-9.800114.3G62 K68G62-Q64 PolarHBondContact O-N 3Å; Q64-K68 WeakPolarHBondContact O-CG 3.47Å; Q64-K68 PolarHBondContact O-N 3.39Å; Q64-K68 VanDerWaalsContact O-N 3.1Å
65Q78.4Confident76.7Confident108 Ų108112.5 Ų112.551%0.50554%0.543SS..Hα-helixtrans-69.1-43.5175.8-91179-23.700110.5A61 G62 K67 K68 I69A61-Q65 HydrophobicContact CB-CB 4.37Å; G62-Q65 PolarHBondContact O-N 3.47Å; Q65-K67 PolarHBondContact O-N 2.77Å; Q65-K68 PolarHBondContact O-N 3.12Å; Q65-K68 VanDerWaalsContact O-N 3.14Å; Q65-I69 WeakPolarHBondContact O-CD1 3.33Å; Q65-I69 VanDerWaalsContact O-CG1 3.31Å; Q65-I69 WeakPolarHBondContact O-CG1 3.11Å; Q65-I69 PolarHBondContact O-N 2.79Å; Q65-I69 VanDerWaalsContact O-N 3.08Å
66K79.9Confident76.9Confident112 Ų112105.1 Ų105.149%0.48751%0.509SS..Hα-helixtrans-54.9-49.8173.4-66.7-170.3179.7-1730111.6A61 G62 K68 I69 E70A61-K66 WeakPolarHBondContact O-CE 3.38Å; G62-K66 PolarHBondContact O-N 3.41Å; K66-K68 VanDerWaalsContact C-N 3.32Å; K66-K68 PolarHBondContact O-N 3.3Å; K66-I69 WeakPolarHBondContact O-CB 3.5Å; K66-I69 PolarHBondContact O-N 3.1Å; K66-I69 VanDerWaalsContact O-N 3.08Å; K66-E70 PolarHBondContact O-N 2.99Å
67K83.7Confident77.3Confident123 Ų123106.3 Ų106.354%0.53550%0.504SS..Hα-helixtrans-62-33.7177-168.8172.7-175.9174.40113.9R63 Q65 R71R63-K67 WeakPolarHBondContact O-CB 3.45Å; R63-K67 PolarHBondContact O-N 3.14Å; R63-K67 VanDerWaalsContact O-N 3.09Å; Q65-K67 PolarHBondContact O-N 2.77Å; K67-R71 PolarHBondContact O-N 3.18Å
68K83.4Confident77.9Confident142 Ų142108 Ų10862%0.61751%0.514SS*.Hα-helixtrans-68.9-34175.3-78.9177.9-178.3176.90111.9Q64 Q65 K66 Q72Q64-K68 WeakPolarHBondContact O-CG 3.47Å; Q64-K68 PolarHBondContact O-N 3.39Å; Q64-K68 VanDerWaalsContact O-N 3.1Å; Q65-K68 PolarHBondContact O-N 3.12Å; Q65-K68 VanDerWaalsContact O-N 3.14Å; K66-K68 VanDerWaalsContact C-N 3.32Å; K66-K68 PolarHBondContact O-N 3.3Å; K68-Q72 WeakPolarHBondContact O-CG 3.41Å; K68-Q72 PolarHBondContact O-N 3.13Å
69I81.9Confident78.7Confident20 Ų20104.4 Ų104.410%0.10349%0.491CS..Hα-helixtrans-74.1-45.6178.9-66150.4000110.5L50 I57 Q65 K66 R71 Q72 E73L50-I69 HydrophobicContact CD1-CG2 3.87Å; I57-I69 HydrophobicContact CD1-CD1 2.97Å; I57-I69 HydrophobicContact CD1-CG1 4.07Å; I57-I69 HydrophobicContact CG1-CD1 4.4Å; Q65-I69 WeakPolarHBondContact O-CD1 3.33Å; Q65-I69 VanDerWaalsContact O-CG1 3.31Å; Q65-I69 WeakPolarHBondContact O-CG1 3.11Å; Q65-I69 PolarHBondContact O-N 2.79Å; Q65-I69 VanDerWaalsContact O-N 3.08Å; K66-I69 WeakPolarHBondContact O-CB 3.5Å; K66-I69 PolarHBondContact O-N 3.1Å; K66-I69 VanDerWaalsContact O-N 3.08Å; I69-R71 VanDerWaalsContact C-N 3.26Å; I69-R71 PolarHBondContact O-N 2.89Å; I69-Q72 CarbonylContact O-C 3.52Å; I69-Q72 WeakPolarHBondContact O-CA 2.98Å; I69-Q72 WeakPolarHBondContact O-CB 3.44Å; I69-Q72 PolarHBondContact O-N 3.35Å; I69-E73 HydrophobicContact CG2-CG 4.41Å; I69-E73 PolarHBondContact O-N 3.37Å
70E83.4Confident79.7Confident119 Ų11996.1 Ų96.156%0.55645%0.452SS*.Hα-helixtrans-54.5-44.4175.1-73.1173.4164.500111.1K66 Q72 E73 E74K66-E70 PolarHBondContact O-N 2.99Å; E70-Q72 VanDerWaalsContact C-N 3.29Å; E70-Q72 PolarHBondContact O-N 2.79Å; E70-E73 WeakPolarHBondContact O-CB 3.19Å; E70-E73 PolarHBondContact O-N 3.26Å; E70-E74 WeakPolarHBondContact O-CB 3.39Å; E70-E74 PolarHBondContact O-N 3.34Å
71R85.8Confident80.8Confident159 Ų15999.1 Ų99.160%0.645%0.447SS*.Hα-helixtrans-61.9-33.5173.5-80.2-177.9172-178.1-2.4113.6K67 I69 K75K67-R71 PolarHBondContact O-N 3.18Å; I69-R71 VanDerWaalsContact C-N 3.26Å; I69-R71 PolarHBondContact O-N 2.89Å; R71-K75 WeakPolarHBondContact O-CG 3.29Å; R71-K75 PolarHBondContact O-N 3.03Å
72Q82.4Confident81.6Confident76 Ų76101.7 Ų101.736%0.35546%0.459SS..Hα-helixtrans-75.3-36.2176.7-72.7-169.3-29.500111.6L50 K53 K68 I69 E70 L76L50-Q72 HydrophobicContact CD1-CB 4.15Å; K53-Q72 VanDerWaalsContact NZ-NE2 3.19Å; K68-Q72 WeakPolarHBondContact O-CG 3.41Å; K68-Q72 PolarHBondContact O-N 3.13Å; I69-Q72 CarbonylContact O-C 3.52Å; I69-Q72 WeakPolarHBondContact O-CA 2.98Å; I69-Q72 WeakPolarHBondContact O-CB 3.44Å; I69-Q72 PolarHBondContact O-N 3.35Å; E70-Q72 VanDerWaalsContact C-N 3.29Å; E70-Q72 PolarHBondContact O-N 2.79Å; Q72-L76 VanDerWaalsContact O-CB 3.27Å; Q72-L76 WeakPolarHBondContact O-CB 3.26Å; Q72-L76 PolarHBondContact O-N 3.14Å
73E82.3Confident81.9Confident70 Ų70100 Ų10033%0.32744%0.44SS..Hα-helixtrans-63-44.6171.9-74.7-174.2145.200112.1L50 K54 I69 E70 L76 K77L50-E73 HydrophobicContact CD1-CG 4.09Å; L50-E73 HydrophobicContact CD2-CG 3.56Å; L50-E73 HydrophobicContact CG-CG 4.4Å; K54-E73 WeakPolarHBondContact CE-OE1 3.5Å; K54-E73 IonicContact NZ-OE1 2.59Å; K54-E73 PolarHBondContact NZ-OE1 3.28Å; I69-E73 HydrophobicContact CG2-CG 4.41Å; I69-E73 PolarHBondContact O-N 3.37Å; E70-E73 WeakPolarHBondContact O-CB 3.19Å; E70-E73 PolarHBondContact O-N 3.26Å; E73-L76 PolarHBondContact O-N 2.92Å; E73-K77 WeakPolarHBondContact O-CB 3.05Å; E73-K77 PolarHBondContact O-N 3.42Å
74E83.9Confident81.9Confident125 Ų12591.4 Ų91.458%0.58442%0.416SS*.Hα-helixtrans-63.6-45179.7-166.9-177.1-173.700111.4E70 L76 K77 N78E70-E74 WeakPolarHBondContact O-CB 3.39Å; E70-E74 PolarHBondContact O-N 3.34Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 2.97Å; E74-K77 WeakPolarHBondContact O-CB 3.46Å; E74-K77 PolarHBondContact O-N 2.89Å; E74-N78 PolarHBondContact O-N 2.79Å
75K84.1Confident81.9Confident141 Ų14187.7 Ų87.761%0.61340%0.399SS*.Hα-helixtrans-60-43.7173.3-74.1-178.2-179.9-166.60112R71 K77 N78 N79R71-K75 WeakPolarHBondContact O-CG 3.29Å; R71-K75 PolarHBondContact O-N 3.03Å; K75-K77 VanDerWaalsContact C-N 3.34Å; K75-N78 PolarHBondContact O-N 2.79Å; K75-N79 PolarHBondContact O-N 3.46Å
76L82.5Confident81.8Confident3 Ų383.6 Ų83.62%0.01638%0.381CS..Hα-helixtrans-65.7-37.8178.3-174.253.9000112V43 Q46 L50 Q72 E73 E74 N79 N80 Q173V43-L76 HydrophobicContact CB-CD1 4.47Å; V43-L76 HydrophobicContact CG1-CD1 4.18Å; Q46-L76 HydrophobicContact CB-CD1 3.75Å; L50-L76 HydrophobicContact CB-CD2 4.46Å; L50-L76 HydrophobicContact CD2-CD2 3.69Å; Q72-L76 VanDerWaalsContact O-CB 3.27Å; Q72-L76 WeakPolarHBondContact O-CB 3.26Å; Q72-L76 PolarHBondContact O-N 3.14Å; E73-L76 PolarHBondContact O-N 2.92Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 2.97Å; L76-N79 PolarHBondContact O-N 3.4Å; L76-N80 VanDerWaalsContact O-CB 3.28Å; L76-N80 WeakPolarHBondContact O-CB 3.41Å; L76-N80 PolarHBondContact O-N 2.89Å; L76-Q173 VanDerWaalsContact CD2-CD 3.48Å
77K82.9Confident81.7Confident141 Ų14180.9 Ų80.961%0.61337%0.368SS*.Hα-helixtrans-63.2-43.5174.8-171.6179.3-179.5-178.80111.3E73 E74 K75 N80 R81E73-K77 WeakPolarHBondContact O-CB 3.05Å; E73-K77 PolarHBondContact O-N 3.42Å; E74-K77 WeakPolarHBondContact O-CB 3.46Å; E74-K77 PolarHBondContact O-N 2.89Å; K75-K77 VanDerWaalsContact C-N 3.34Å; K77-N80 PolarHBondContact O-N 3.24Å; K77-R81 WeakPolarHBondContact O-CB 3.34Å; K77-R81 PolarHBondContact O-N 3.47Å
78N83.3Confident81.3Confident91 Ų9179.7 Ų79.749%0.48737%0.366SS..Hα-helixtrans-63.1-47.3175.4-79.27.8000111.8E74 K75 N80 R81 D82E74-N78 PolarHBondContact O-N 2.79Å; K75-N78 PolarHBondContact O-N 2.79Å; N78-N80 VanDerWaalsContact C-N 3.29Å; N78-N80 PolarHBondContact O-N 2.95Å; N78-R81 WeakPolarHBondContact O-CB 3.36Å; N78-R81 PolarHBondContact O-N 2.96Å; N78-R81 VanDerWaalsContact O-N 3.1Å; N78-D82 PolarHBondContact O-N 2.73Å
79N81Confident80.9Confident28 Ų2880.6 Ų80.615%0.1537%0.37CS..Hα-helixtrans-61.3-37.9176.8-74.3-4.6000112.3E42 V43 Q46 K75 L76 D82 L83E42-N79 PolarHBondContact OE1-ND2 3.37Å; V43-N79 HydrophobicContact CG2-CB 3.88Å; Q46-N79 PolarHBondContact OE1-ND2 2.92Å; K75-N79 PolarHBondContact O-N 3.46Å; L76-N79 PolarHBondContact O-N 3.4Å; N79-D82 PolarHBondContact O-N 3.32Å; N79-L83 WeakPolarHBondContact O-CB 3.27Å; N79-L83 PolarHBondContact O-N 2.81Å
80N80.6Confident80.5Confident7 Ų780 Ų804%0.03737%0.367CS..Hα-helixtrans-70-34.4175.7-159.30.2000112L76 K77 N78 L83 S84 A170 A174L76-N80 VanDerWaalsContact O-CB 3.28Å; L76-N80 WeakPolarHBondContact O-CB 3.41Å; L76-N80 PolarHBondContact O-N 2.89Å; K77-N80 PolarHBondContact O-N 3.24Å; N78-N80 VanDerWaalsContact C-N 3.29Å; N78-N80 PolarHBondContact O-N 2.95Å; N80-L83 PolarHBondContact O-N 3.37Å; N80-S84 VanDerWaalsContact O-CB 3.3Å; N80-S84 WeakPolarHBondContact O-CB 3.29Å; N80-S84 PolarHBondContact O-N 3.47Å; N80-S84 PolarHBondContact O-OG 2.86Å; N80-A170 PolarHBondContact ND2-O 3.24Å; N80-A170 VanDerWaalsContact ND2-O 3.13Å; N80-A174 WeakPolarHBondContact ND2-CA 3.22Å; N80-A174 WeakPolarHBondContact ND2-CB 3.3Å; N80-A174 PolarHBondContact ND2-N 2.78Å
81R82.3Confident80.4Confident171 Ų17179 Ų7965%0.64536%0.364SS*.Hα-helixtrans-64.3-44.6173.3-167.7-177178.8158.9-0.9111.2K77 N78 S84 M85K77-R81 WeakPolarHBondContact O-CB 3.34Å; K77-R81 PolarHBondContact O-N 3.47Å; N78-R81 WeakPolarHBondContact O-CB 3.36Å; N78-R81 PolarHBondContact O-N 2.96Å; N78-R81 VanDerWaalsContact O-N 3.1Å; R81-S84 WeakPolarHBondContact O-CB 3.33Å; R81-S84 PolarHBondContact O-N 3.17Å; R81-M85 HydrophobicContact CG-CE 3.93Å; R81-M85 WeakPolarHBondContact O-CG 3.05Å; R81-M85 PolarHBondContact O-N 2.96Å
82D82.3Confident80.2Confident68 Ų6878.4 Ų78.436%0.36437%0.366SS..Hα-helixtrans-64.8-41.3176.8-75.6-9.6000112.1L39 N78 N79 S84 M85 V86L39-D82 HydrophobicContact CD2-CB 3.38Å; N78-D82 PolarHBondContact O-N 2.73Å; N79-D82 PolarHBondContact O-N 3.32Å; D82-S84 VanDerWaalsContact C-N 3.31Å; D82-S84 PolarHBondContact O-N 2.64Å; D82-M85 PolarHBondContact O-N 3.43Å; D82-M85 VanDerWaalsContact OD1-CE 3.26Å; D82-M85 WeakPolarHBondContact OD1-CE 3.26Å; D82-V86 WeakPolarHBondContact O-CG2 3.49Å; D82-V86 PolarHBondContact O-N 3.28Å; D82-V86 VanDerWaalsContact O-N 3.08Å
83L79.4Confident80.2Confident5 Ų576.5 Ų76.53%0.02636%0.363CS..Hα-helixtrans-62.6-40.7174.3-176.4139.6000111.3Y36 L39 K40 V43 N79 N80 V86 R87Y36-L83 HydrophobicContact CE2-CD1 4.42Å; Y36-L83 HydrophobicContact CE2-CG 4.29Å; L39-L83 HydrophobicContact CB-CB 4.34Å; L39-L83 HydrophobicContact CB-CD1 4.1Å; L39-L83 HydrophobicContact CD2-CB 4.08Å; K40-L83 HydrophobicContact CB-CD1 4.03Å; V43-L83 HydrophobicContact CG2-CD1 4.34Å; N79-L83 WeakPolarHBondContact O-CB 3.27Å; N79-L83 PolarHBondContact O-N 2.81Å; N80-L83 PolarHBondContact O-N 3.37Å; L83-V86 PolarHBondContact O-N 3.35Å; L83-R87 PolarHBondContact O-N 3.22Å
84S78.9Confident80.3Confident53 Ų5373.3 Ų73.337%0.37135%0.348SS..Hα-helixtrans-66-39.5175.5-61.60000111.9N80 R81 D82 V86 R87 M88N80-S84 VanDerWaalsContact O-CB 3.3Å; N80-S84 WeakPolarHBondContact O-CB 3.29Å; N80-S84 PolarHBondContact O-N 3.47Å; N80-S84 PolarHBondContact O-OG 2.86Å; R81-S84 WeakPolarHBondContact O-CB 3.33Å; R81-S84 PolarHBondContact O-N 3.17Å; D82-S84 VanDerWaalsContact C-N 3.31Å; D82-S84 PolarHBondContact O-N 2.64Å; S84-V86 PolarHBondContact O-N 2.97Å; S84-R87 PolarHBondContact O-N 3.14Å; S84-M88 VanDerWaalsContact O-CB 3.29Å; S84-M88 WeakPolarHBondContact O-CB 3.49Å; S84-M88 PolarHBondContact O-N 3.17Å
85M77.4Confident80.4Confident79 Ų7968.8 Ų68.839%0.38934%0.335SS..Hα-helixtrans-63.3-39.8176.1-78.2-167.5-99.800112.4R81 D82 R87 M88 K89R81-M85 HydrophobicContact CG-CE 3.93Å; R81-M85 WeakPolarHBondContact O-CG 3.05Å; R81-M85 PolarHBondContact O-N 2.96Å; D82-M85 PolarHBondContact O-N 3.43Å; D82-M85 VanDerWaalsContact OD1-CE 3.26Å; D82-M85 WeakPolarHBondContact OD1-CE 3.26Å; M85-R87 VanDerWaalsContact C-N 3.34Å; M85-M88 PolarHBondContact O-N 3.23Å; M85-K89 PolarHBondContact O-N 3.17Å
86V77.2Confident80.6Confident22 Ų2269.7 Ų69.713%0.13334%0.34CS..Hα-helixtrans-61.9-43.8174.5174.70000110.6V30 K35 Y36 D82 L83 S84V30-V86 HydrophobicContact CG1-CG1 4.29Å; K35-V86 HydrophobicContact CD-CG2 4.17Å; K35-V86 HydrophobicContact CG-CG2 4.45Å; Y36-V86 HydrophobicContact CD2-CG1 4.35Å; D82-V86 WeakPolarHBondContact O-CG2 3.49Å; D82-V86 PolarHBondContact O-N 3.28Å; D82-V86 VanDerWaalsContact O-N 3.08Å; L83-V86 PolarHBondContact O-N 3.35Å; S84-V86 PolarHBondContact O-N 2.97Å
87R76.3Confident80.8Confident55 Ų5571.7 Ų71.721%0.20835%0.353CS..Hα-helixtrans-66.3-39.9175.4-71.3-178.1176167.71.9112.6V30 Y36 L83 S84 M85 K89 S90 M91V30-R87 HydrophobicContact CG1-CG 4.23Å; Y36-R87 HydrophobicContact CE2-CG 4.12Å; Y36-R87 PolarHBondContact OH-NH2 2.94Å; L83-R87 PolarHBondContact O-N 3.22Å; S84-R87 PolarHBondContact O-N 3.14Å; M85-R87 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 2.99Å; R87-S90 PolarHBondContact O-N 3.14Å; R87-S90 VanDerWaalsContact O-N 3.14Å; R87-M91 WeakPolarHBondContact O-CG 3.25Å; R87-M91 PolarHBondContact O-N 3.42Å
88M76.5Confident80.9Confident99 Ų9966.6 Ų66.649%0.48833%0.331SS..Hα-helixtrans-61.5-41.8-177.2-171.9176.779.200111.7S84 M85 S90 M91 F92S84-M88 VanDerWaalsContact O-CB 3.29Å; S84-M88 WeakPolarHBondContact O-CB 3.49Å; S84-M88 PolarHBondContact O-N 3.17Å; M85-M88 PolarHBondContact O-N 3.23Å; M88-S90 VanDerWaalsContact C-N 3.25Å; M88-S90 PolarHBondContact O-N 3.47Å; M88-M91 WeakPolarHBondContact O-CB 3.43Å; M88-M91 PolarHBondContact O-N 3.08Å; M88-M91 VanDerWaalsContact O-N 3.07Å; M88-F92 HydrophobicContact CE-CE2 4.27Å; M88-F92 HydrophobicContact CG-CD2 4.1Å; M88-F92 HydrophobicContact CG-CE2 3.79Å; M88-F92 VanDerWaalsContact O-CD2 3.27Å; M88-F92 WeakPolarHBondContact O-CD2 3.36Å; M88-F92 PolarHBondContact O-N 2.84Å; M88-F92 HydrophobicContact SD-CE2 4.29Å
89K73.5Confident81.1Confident160 Ų16067.2 Ų67.270%0.69634%0.338SS*.Hα-helixtrans-55-41.8175-72-175.1179.1-165.30112.2M85 R87 F92 A93M85-K89 PolarHBondContact O-N 3.17Å; R87-K89 PolarHBondContact O-N 2.99Å; K89-F92 PolarHBondContact O-N 3.47Å; K89-A93 PolarHBondContact O-N 2.77Å
90S74.9Confident81.4Confident8 Ų868.7 Ų68.76%0.05635%0.354CS..Hα-helixtrans-76.6-30.6177.1-60.20000112.9L29 V30 R87 M88 F92 A93 I94L29-S90 WeakPolarHBondContact CB-OG 3.26Å; V30-S90 WeakPolarHBondContact CG2-OG 3.32Å; R87-S90 PolarHBondContact O-N 3.14Å; R87-S90 VanDerWaalsContact O-N 3.14Å; M88-S90 VanDerWaalsContact C-N 3.25Å; M88-S90 PolarHBondContact O-N 3.47Å; S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 3.25Å; S90-A93 PolarHBondContact O-N 3.43Å; S90-I94 WeakPolarHBondContact O-CD1 3.36Å; S90-I94 VanDerWaalsContact O-CG1 3.22Å; S90-I94 WeakPolarHBondContact O-CG1 3.33Å; S90-I94 PolarHBondContact O-N 3.24Å
91M80.4Confident81.7Confident98 Ų9870.4 Ų70.448%0.48336%0.363SS..Hα-helixtrans-62.5-33.5171.1-67.9-168.29000112.2R87 M88 G95 L178R87-M91 WeakPolarHBondContact O-CG 3.25Å; R87-M91 PolarHBondContact O-N 3.42Å; M88-M91 WeakPolarHBondContact O-CB 3.43Å; M88-M91 PolarHBondContact O-N 3.08Å; M88-M91 VanDerWaalsContact O-N 3.07Å; M91-G95 PolarHBondContact O-N 3.28Å; M91-L178 HydrophobicContact CE-CD1 4.5Å
92F82.2Confident81.8Confident146 Ų14664.2 Ų64.264%0.6434%0.342SS*.Hα-helixtrans-64.2-46.2172.1-84.3-75.8000112.5M88 K89 S90 I94 G95 F96M88-F92 HydrophobicContact CE-CE2 4.27Å; M88-F92 HydrophobicContact CG-CD2 4.1Å; M88-F92 HydrophobicContact CG-CE2 3.79Å; M88-F92 VanDerWaalsContact O-CD2 3.27Å; M88-F92 WeakPolarHBondContact O-CD2 3.36Å; M88-F92 PolarHBondContact O-N 2.84Å; M88-F92 HydrophobicContact SD-CE2 4.29Å; K89-F92 PolarHBondContact O-N 3.47Å; S90-F92 VanDerWaalsContact C-N 3.26Å; S90-F92 PolarHBondContact O-N 3.25Å; F92-I94 VanDerWaalsContact C-N 3.32Å; F92-I94 PolarHBondContact O-N 2.82Å; F92-G95 PolarHBondContact O-N 3.26Å; F92-F96 PolarHBondContact O-N 2.95Å
93A82.4Confident82Confident36 Ų3663.2 Ų63.230%0.29835%0.348SS..Hα-helixtrans-60.3-43176.900000111.7L29 K89 S90 F96 C97L29-A93 HydrophobicContact CD1-CB 4.19Å; K89-A93 PolarHBondContact O-N 2.77Å; S90-A93 PolarHBondContact O-N 3.43Å; A93-F96 PolarHBondContact O-N 2.87Å; A93-C97 PolarHBondContact O-N 2.96Å; A93-C97 VanDerWaalsContact O-N 3.12Å; A93-C97 PolarHBondContact O-SG 3.09Å; A93-C97 VanDerWaalsContact O-SG 3.38Å
94I84.8Confident82.3Confident4 Ų468.3 Ų68.32%0.02137%0.373CS..Hα-helixtrans-66-41.4176.3-64.3161.4000111A22 I25 T26 S90 F92 F96 C97 F98A22-I94 HydrophobicContact CB-CG2 3.74Å; I25-I94 HydrophobicContact CB-CG1 4.32Å; I25-I94 HydrophobicContact CG2-CG1 3.95Å; T26-I94 WeakPolarHBondContact OG1-CD1 3.43Å; S90-I94 WeakPolarHBondContact O-CD1 3.36Å; S90-I94 VanDerWaalsContact O-CG1 3.22Å; S90-I94 WeakPolarHBondContact O-CG1 3.33Å; S90-I94 PolarHBondContact O-N 3.24Å; F92-I94 VanDerWaalsContact C-N 3.32Å; F92-I94 PolarHBondContact O-N 2.82Å; I94-F96 VanDerWaalsContact C-N 3.31Å; I94-F96 PolarHBondContact O-N 2.95Å; I94-C97 PolarHBondContact O-N 2.73Å; I94-F98 HydrophobicContact CG2-CD2 3.98Å; I94-F98 HydrophobicContact CG2-CE1 4.36Å; I94-F98 HydrophobicContact CG2-CE2 3.77Å; I94-F98 HydrophobicContact CG2-CG 4.39Å; I94-F98 HydrophobicContact CG2-CZ 3.98Å; I94-F98 WeakPolarHBondContact O-CB 3.44Å; I94-F98 WeakPolarHBondContact O-CG 3.22Å; I94-F98 PolarHBondContact O-N 2.67Å
95G85.9Confident82.5Confident30 Ų3067 Ų6731%0.30936%0.361SS..Hα-helixtrans-58.8-43.1175.800000111.8M91 F92 F98 T99M91-G95 PolarHBondContact O-N 3.28Å; F92-G95 PolarHBondContact O-N 3.26Å; G95-F98 PolarHBondContact O-N 3.44Å; G95-T99 WeakPolarHBondContact O-CB 3.39Å; G95-T99 PolarHBondContact O-N 2.88Å; G95-T99 PolarHBondContact O-OG1 3.39Å
96F87.7Confident82.8Confident160 Ų16065.5 Ų65.570%0.70235%0.354SS*.Hα-helixtrans-60.7-47.5174.4-179-98.1000112.1F92 A93 I94 F98 T99 A100F92-F96 PolarHBondContact O-N 2.95Å; A93-F96 PolarHBondContact O-N 2.87Å; I94-F96 VanDerWaalsContact C-N 3.31Å; I94-F96 PolarHBondContact O-N 2.95Å; F96-F98 VanDerWaalsContact C-N 3.34Å; F96-F98 PolarHBondContact O-N 2.88Å; F96-T99 PolarHBondContact O-N 3.3Å; F96-A100 PolarHBondContact O-N 2.88Å
97C85.9Confident83.1Confident45 Ų4568.9 Ų68.930%0.30438%0.379SS..Hα-helixtrans-59.5-43.9175.7-65.80000112.1A93 I94 A100 L101A93-C97 PolarHBondContact O-N 2.96Å; A93-C97 VanDerWaalsContact O-N 3.12Å; A93-C97 PolarHBondContact O-SG 3.09Å; A93-C97 VanDerWaalsContact O-SG 3.38Å; I94-C97 PolarHBondContact O-N 2.73Å; C97-A100 PolarHBondContact O-N 2.89Å; C97-L101 WeakPolarHBondContact O-CB 3.45Å; C97-L101 WeakPolarHBondContact O-CD1 3.29Å; C97-L101 VanDerWaalsContact O-CG 3.28Å; C97-L101 WeakPolarHBondContact O-CG 3.48Å; C97-L101 PolarHBondContact O-N 3.04Å
98F86.3Confident83.4Confident33 Ų3370.2 Ų70.215%0.14539%0.389CS..Hα-helixtrans-66.7-38178-76.2-9.1000112.9A22 I94 G95 F96 L101 M102 T151 M152A22-F98 HydrophobicContact CB-CE1 3.86Å; A22-F98 HydrophobicContact CB-CE2 4.5Å; A22-F98 HydrophobicContact CB-CZ 3.56Å; I94-F98 HydrophobicContact CG2-CD2 3.98Å; I94-F98 HydrophobicContact CG2-CE1 4.36Å; I94-F98 HydrophobicContact CG2-CE2 3.77Å; I94-F98 HydrophobicContact CG2-CG 4.39Å; I94-F98 HydrophobicContact CG2-CZ 3.98Å; I94-F98 WeakPolarHBondContact O-CB 3.44Å; I94-F98 WeakPolarHBondContact O-CG 3.22Å; I94-F98 PolarHBondContact O-N 2.67Å; G95-F98 PolarHBondContact O-N 3.44Å; F96-F98 VanDerWaalsContact C-N 3.34Å; F96-F98 PolarHBondContact O-N 2.88Å; F98-L101 HydrophobicContact CD1-CD1 4.37Å; F98-L101 PolarHBondContact O-N 3.47Å; F98-M102 VanDerWaalsContact O-CB 3.31Å; F98-M102 WeakPolarHBondContact O-CB 3.3Å; F98-M102 WeakPolarHBondContact O-CG 3.44Å; F98-M102 PolarHBondContact O-N 3.42Å; F98-T151 HydrophobicContact CE2-CG2 4.31Å; F98-T151 HydrophobicContact CZ-CG2 3.89Å; F98-M152 HydrophobicContact CE2-CE 4.46Å
99T87.2Confident83.7Confident104 Ų10466.1 Ų66.164%0.63837%0.369SS*.Hα-helixtrans-64-43.7174.6-62.10000111.3G95 F96 M102 G103G95-T99 WeakPolarHBondContact O-CB 3.39Å; G95-T99 PolarHBondContact O-N 2.88Å; G95-T99 PolarHBondContact O-OG1 3.39Å; F96-T99 PolarHBondContact O-N 3.3Å; T99-M102 PolarHBondContact O-N 3.48Å; T99-G103 PolarHBondContact O-N 3.27Å
100A87.6Confident84.1Confident59 Ų5962.9 Ų62.949%0.48836%0.359SS..Hα-helixtrans-63-45.317700000112F96 C97 G103 M104F96-A100 PolarHBondContact O-N 2.88Å; C97-A100 PolarHBondContact O-N 2.89Å; A100-G103 PolarHBondContact O-N 2.85Å; A100-M104 PolarHBondContact O-N 2.83Å; A100-M104 VanDerWaalsContact O-N 3.09Å
101L85.9Confident84.4Confident44 Ų4463.9 Ų63.923%0.2337%0.371CS..Hα-helixtrans-63.1-41.5175.9-73.6166000111.8T18 C97 F98 G103 M104 F105T18-L101 HydrophobicContact CG2-CD1 3.65Å; C97-L101 WeakPolarHBondContact O-CB 3.45Å; C97-L101 WeakPolarHBondContact O-CD1 3.29Å; C97-L101 VanDerWaalsContact O-CG 3.28Å; C97-L101 WeakPolarHBondContact O-CG 3.48Å; C97-L101 PolarHBondContact O-N 3.04Å; F98-L101 HydrophobicContact CD1-CD1 4.37Å; F98-L101 PolarHBondContact O-N 3.47Å; L101-G103 PolarHBondContact O-N 3.28Å; L101-M104 PolarHBondContact O-N 3.37Å; L101-F105 HydrophobicContact CB-CD2 4.32Å; L101-F105 HydrophobicContact CB-CE2 4.04Å; L101-F105 HydrophobicContact CD2-CE2 3.93Å; L101-F105 HydrophobicContact CD2-CZ 4.2Å; L101-F105 WeakPolarHBondContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CG 3.4Å; L101-F105 PolarHBondContact O-N 3.14Å
102M84.9Confident84.6Confident41 Ų4165.8 Ų65.820%0.20237%0.372CS..Hα-helixtrans-62.6-41.8175.7-83.1-57.1-14500112.4F98 T99 M104 F105 N106 F143 I144 Y147 I148F98-M102 VanDerWaalsContact O-CB 3.31Å; F98-M102 WeakPolarHBondContact O-CB 3.3Å; F98-M102 WeakPolarHBondContact O-CG 3.44Å; F98-M102 PolarHBondContact O-N 3.42Å; T99-M102 PolarHBondContact O-N 3.48Å; M102-M104 VanDerWaalsContact C-N 3.34Å; M102-M104 PolarHBondContact O-N 3.41Å; M102-F105 PolarHBondContact O-N 2.82Å; M102-N106 WeakPolarHBondContact O-CB 3.44Å; M102-N106 PolarHBondContact O-N 2.99Å; M102-F143 HydrophobicContact SD-CE1 4.01Å; M102-I144 HydrophobicContact CE-CG2 4Å; M102-Y147 HydrophobicContact CE-CD1 3.27Å; M102-Y147 HydrophobicContact CE-CE1 3.68Å; M102-Y147 HydrophobicContact CE-CG 4.39Å; M102-Y147 HydrophobicContact CG-CE1 4.31Å; M102-Y147 HydrophobicContact SD-CD1 3.6Å; M102-Y147 HydrophobicContact SD-CE1 3.74Å; M102-I148 HydrophobicContact CE-CD1 3.86Å; M102-I148 HydrophobicContact CE-CG1 3.51Å
103G85.9Confident84.8Confident47 Ų4760 Ų6049%0.48535%0.349SS..Hα-helixtrans-59.8-44.8175.100000112.4T99 A100 L101 S107T99-G103 PolarHBondContact O-N 3.27Å; A100-G103 PolarHBondContact O-N 2.85Å; L101-G103 PolarHBondContact O-N 3.28Å; G103-S107 PolarHBondContact O-N 3.35Å
104M86.7Confident85Confident111 Ų11158.2 Ų58.255%0.54733%0.334SS..Hα-helixtrans-64.3-44.8178.3-177.3-177.2-68.900112.5A100 L101 M102 S107 I108A100-M104 PolarHBondContact O-N 2.83Å; A100-M104 VanDerWaalsContact O-N 3.09Å; L101-M104 PolarHBondContact O-N 3.37Å; M102-M104 VanDerWaalsContact C-N 3.34Å; M102-M104 PolarHBondContact O-N 3.41Å; M104-S107 PolarHBondContact O-OG 3.29Å; M104-I108 HydrophobicContact CG-CD1 4.15Å; M104-I108 WeakPolarHBondContact O-CD1 3.22Å; M104-I108 WeakPolarHBondContact O-CG1 3.36Å; M104-I108 PolarHBondContact O-N 3.19Å
105F83.6Confident85.1Confident27 Ų2758.9 Ų58.912%0.11834%0.341CS..Hα-helixtrans-77.7-28.5-178.7-62.8-48.5000113I14 L101 M102 S107 I108 F109 F143I14-F105 HydrophobicContact CD1-CD1 4.42Å; I14-F105 HydrophobicContact CD1-CE1 3.88Å; I14-F105 HydrophobicContact CD1-CZ 4.08Å; I14-F105 HydrophobicContact CG1-CZ 4.35Å; I14-F105 HydrophobicContact CG2-CD2 4.24Å; I14-F105 HydrophobicContact CG2-CE1 4.32Å; I14-F105 HydrophobicContact CG2-CE2 3.41Å; I14-F105 VanDerWaalsContact CG2-CE2 3.41Å; I14-F105 HydrophobicContact CG2-CZ 3.47Å; I14-F105 VanDerWaalsContact CG2-CZ 3.47Å; L101-F105 HydrophobicContact CB-CD2 4.32Å; L101-F105 HydrophobicContact CB-CE2 4.04Å; L101-F105 HydrophobicContact CD2-CE2 3.93Å; L101-F105 HydrophobicContact CD2-CZ 4.2Å; L101-F105 WeakPolarHBondContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CG 3.4Å; L101-F105 PolarHBondContact O-N 3.14Å; M102-F105 PolarHBondContact O-N 2.82Å; F105-S107 VanDerWaalsContact C-N 3.26Å; F105-S107 PolarHBondContact O-N 2.84Å; F105-I108 HydrophobicContact CD1-CD1 4.28Å; F105-I108 PolarHBondContact O-N 3.41Å; F105-F109 HydrophobicContact CB-CD2 4.26Å; F105-F109 HydrophobicContact CD1-CE2 4.32Å; F105-F109 WeakPolarHBondContact O-CD2 3.49Å; F105-F109 PolarHBondContact O-N 3.46Å; F105-F143 HydrophobicContact CB-CD1 4.04Å; F105-F143 HydrophobicContact CB-CE1 3.28Å; F105-F143 HydrophobicContact CB-CE2 3.95Å; F105-F143 HydrophobicContact CB-CZ 3.24Å; F105-F143 HydrophobicContact CD1-CZ 4.48Å; F105-F143 HydrophobicContact CD2-CE1 4.2Å; F105-F143 AromaticContact CD2-CZ 3.63Å; F105-F143 HydrophobicContact CD2-CZ 3.63Å; F105-F143 HydrophobicContact CG-CE1 4.07Å; F105-F143 HydrophobicContact CG-CE2 4.21Å; F105-F143 AromaticContact CG-CZ 3.55Å; F105-F143 HydrophobicContact CG-CZ 3.55Å
106N82.8Confident85.2Confident47 Ų4763.7 Ų63.725%0.25135%0.353SS..Hα-helixtrans-61.2-36.8175.1-166.324000111.5M102 D110 N132M102-N106 WeakPolarHBondContact O-CB 3.44Å; M102-N106 PolarHBondContact O-N 2.99Å; N106-D110 WeakPolarHBondContact O-CB 3.27Å; N106-D110 PolarHBondContact O-N 3.07Å; N106-N132 PolarHBondContact OD1-ND2 3.43Å
107S83Confident85.1Confident92 Ų9257.6 Ų57.664%0.64333%0.327SS*.Hα-helixtrans-74.8-29.1175.963.40000113.8G103 M104 F105G103-S107 PolarHBondContact O-N 3.35Å; M104-S107 PolarHBondContact O-OG 3.29Å; F105-S107 VanDerWaalsContact C-N 3.26Å; F105-S107 PolarHBondContact O-N 2.84Å
108I83.9Confident85.2Confident83 Ų8361.5 Ų61.543%0.42635%0.352SS..Hα-helixtrans-77.2-36.5-179.1-66.3168.1000111.8M104 F105M104-I108 HydrophobicContact CG-CD1 4.15Å; M104-I108 WeakPolarHBondContact O-CD1 3.22Å; M104-I108 WeakPolarHBondContact O-CG1 3.36Å; M104-I108 PolarHBondContact O-N 3.19Å; F105-I108 HydrophobicContact CD1-CD1 4.28Å; F105-I108 PolarHBondContact O-N 3.41Å
109F82.1Confident85.3Confident14 Ų1465.8 Ų65.86%0.06137%0.371CS..SBendtrans-107.117.1-175.1-64.9-78.1000113.6L10 I11 F105 G111 R112 V114 F143L10-F109 HydrophobicContact CD2-CZ 4.15Å; I11-F109 HydrophobicContact CG1-CZ 4.46Å; F105-F109 HydrophobicContact CB-CD2 4.26Å; F105-F109 HydrophobicContact CD1-CE2 4.32Å; F105-F109 WeakPolarHBondContact O-CD2 3.49Å; F105-F109 PolarHBondContact O-N 3.46Å; F109-G111 PolarHBondContact O-N 3.01Å; F109-R112 PolarHBondContact O-N 2.82Å; F109-V114 HydrophobicContact CD1-CG1 4.16Å; F109-F143 HydrophobicContact CB-CB 3.67Å; F109-F143 HydrophobicContact CB-CD2 4.24Å; F109-F143 HydrophobicContact CB-CG 3.99Å; F109-F143 HydrophobicContact CD1-CD2 4.45Å; F109-F143 HydrophobicContact CD2-CB 4.41Å; F109-F143 AromaticContact CD2-CD2 3.36Å; F109-F143 HydrophobicContact CD2-CD2 3.36Å; F109-F143 AromaticContact CD2-CE2 3.76Å; F109-F143 HydrophobicContact CD2-CE2 3.76Å; F109-F143 AromaticContact CD2-CG 3.85Å; F109-F143 HydrophobicContact CD2-CG 3.85Å; F109-F143 AromaticContact CE2-CD2 3.74Å; F109-F143 HydrophobicContact CE2-CD2 3.74Å; F109-F143 AromaticContact CE2-CE2 3.78Å; F109-F143 HydrophobicContact CE2-CE2 3.78Å; F109-F143 HydrophobicContact CG-CB 4.1Å; F109-F143 AromaticContact CG-CD2 3.78Å; F109-F143 HydrophobicContact CG-CD2 3.78Å; F109-F143 HydrophobicContact CG-CG 4.05Å; F109-F143 HydrophobicContact CZ-CD2 4.43Å
110D81.9Confident85.3Confident92 Ų9264.9 Ų64.949%0.49237%0.365SS..THydrogen-bonded Turntrans-61.4132.8-179.6-163.518.7000111.9N106 R112 N132N106-D110 WeakPolarHBondContact O-CB 3.27Å; N106-D110 PolarHBondContact O-N 3.07Å; D110-R112 PolarHBondContact O-N 3.29Å; D110-R112 VanDerWaalsContact O-N 3.09Å; D110-N132 PolarHBondContact OD1-ND2 3.26Å
111G81.3Confident85.3Confident29 Ų2962.2 Ų62.230%0.29934%0.343SS..THydrogen-bonded Turntrans66.54.2-179.200000115.6F109 N132F109-G111 PolarHBondContact O-N 3.01Å; G111-N132 WeakPolarHBondContact CA-O 3.42Å; G111-N132 PolarHBondContact N-O 2.86Å
112R84.6Confident85.3Confident137 Ų13766.4 Ų66.452%0.51737%0.365SS..  trans-100.5123.3-176-64.7-174.6-174.3-174.53.3112F109 D110 V114 L133F109-R112 PolarHBondContact O-N 2.82Å; D110-R112 PolarHBondContact O-N 3.29Å; D110-R112 VanDerWaalsContact O-N 3.09Å; R112-V114 PolarHBondContact O-N 3.42Å; R112-L133 VanDerWaalsContact C-CD2 3.42Å; R112-L133 WeakPolarHBondContact O-CD2 3.33Å
113V87.6Confident85.3Confident24 Ų2468.8 Ų68.815%0.14539%0.385CS..  trans-72.4117.5170178.30000108.9M4 L133 D140M4-V113 HydrophobicContact CE-CB 3.61Å; M4-V113 HydrophobicContact CE-CG1 3.72Å; M4-V113 WeakPolarHBondContact CE-O 3.43Å; M4-V113 HydrophobicContact SD-CG1 4.2Å; V113-L133 HydrophobicContact CG2-CD1 4.32Å; V113-L133 HydrophobicContact CG2-CD2 4.18Å; V113-D140 HydrophobicContact CB-CB 4.47Å; V113-D140 HydrophobicContact CG1-CB 3.73Å; V113-D140 HydrophobicContact CG2-CB 3.93Å; V113-D140 WeakPolarHBondContact CG2-OD2 3.48Å
114V86.1Confident85.2Confident0 Ų077.3 Ų77.30%041%0.405CS..  trans-97.1-29.9-175.1-61.60000112.7M4 T8 I11 F109 R112 C141 F143 L146M4-V114 VanDerWaalsContact O-O 3.07Å; T8-V114 PolarHBondContact OG1-O 3.33Å; I11-V114 HydrophobicContact CD1-CB 3.51Å; I11-V114 HydrophobicContact CD1-CG1 3.55Å; I11-V114 HydrophobicContact CD1-CG2 3.75Å; F109-V114 HydrophobicContact CD1-CG1 4.16Å; R112-V114 PolarHBondContact O-N 3.42Å; V114-C141 WeakPolarHBondContact CG2-O 3.49Å; V114-C141 PolarHBondContact N-O 3.25Å; V114-C141 VanDerWaalsContact N-O 3.14Å; V114-F143 HydrophobicContact CG1-CB 4.27Å; V114-L146 HydrophobicContact CG2-CD2 4.24Å
115A86.1Confident85.1Confident18 Ų1875.6 Ų75.615%0.14940%0.397CS..EExtended strand (participates in β ladder)trans-150.3160.3177.700000110.4C141 L146A115-C141 HydrophobicContact CB-CB 3.98Å; A115-C141 WeakPolarHBondContact O-CB 3.4Å; A115-C141 PolarHBondContact O-N 3.43Å; A115-L146 HydrophobicContact CB-CD2 4.37Å
116K87.9Confident85.2Confident130 Ų13076.1 Ų76.157%0.56540%0.4SS*.EExtended strand (participates in β ladder)trans-115.8122.5173-161.3165.4-168.5143.60109.3D137 T139 D140K116-D137 WeakPolarHBondContact CE-OD2 3.28Å; K116-D137 IonicContact NZ-OD2 2.7Å; K116-D137 PolarHBondContact NZ-OD2 3.38Å; K116-T139 CarbonylContact C-O 3.6Å; K116-T139 WeakPolarHBondContact CE-OG1 3.46Å; K116-D140 IonicContact NZ-OD1 3.97Å
117L86.3Confident85.3Confident32 Ų3276.7 Ų76.717%0.16842%0.417CS..  trans-79.3141.1-179.9-61.6173.6000109.5F119 P121 T139 C141 F145L117-F119 VanDerWaalsContact CB-O 3.32Å; L117-F119 WeakPolarHBondContact CB-O 3.39Å; L117-F119 PolarHBondContact O-N 3.34Å; L117-P121 HydrophobicContact CD1-CG 3.47Å; L117-P121 VanDerWaalsContact CD1-CG 3.47Å; L117-T139 PolarHBondContact N-O 3.18Å; L117-C141 HydrophobicContact CG-CB 4.18Å; L117-F145 HydrophobicContact CD1-CE1 4.08Å
118P87.3Confident85.3Confident128 Ų12875.2 Ų75.283%0.83140%0.402SS*.SBendtrans-74.70.1176.930.4-32.6000112.9
119F89.5Confident85.3Confident123 Ų12371.3 Ų71.354%0.53938%0.381SS..SBendtrans-141.5154.6177.960.1-92.3000109.6L117 P121L117-F119 VanDerWaalsContact CB-O 3.32Å; L117-F119 WeakPolarHBondContact CB-O 3.39Å; L117-F119 PolarHBondContact O-N 3.34Å; F119-P121 WeakPolarHBondContact O-CD 3.48Å
120V86.3Confident85.6Confident84 Ų8471.7 Ų71.751%0.50938%0.384SS..PPolyproline II helixtrans-78.1120.5169.1177.30000108.1T139V120-T139 HydrophobicContact CG2-CG2 3.71Å
121P87.1Confident85.6Confident4 Ų473.3 Ų73.33%0.02638%0.383CS..PPolyproline II helixtrans-56.2152176.9-25.536.8000111.7L117 F119 Q126 Y138L117-P121 HydrophobicContact CD1-CG 3.47Å; L117-P121 VanDerWaalsContact CD1-CG 3.47Å; F119-P121 WeakPolarHBondContact O-CD 3.48Å; P121-Q126 HydrophobicContact CB-CG 4.23Å; P121-Q126 VanDerWaalsContact O-CG 3.26Å; P121-Q126 WeakPolarHBondContact O-CG 3.19Å; P121-Q126 PolarHBondContact O-NE2 3.15Å; P121-Y138 WeakPolarHBondContact CD-O 3.31Å
122L87.2Confident85.7Confident131 Ų13175.2 Ų75.269%0.68639%0.386SS*.PPolyproline II helixtrans-59.9145.5173-63.5171.4000110.6Y124 I125 Q126L122-Y124 PolarHBondContact O-N 3.22Å; L122-I125 PolarHBondContact O-N 3.09Å; L122-Q126 PolarHBondContact O-N 3.39Å; L122-Q126 VanDerWaalsContact O-N 3.08Å
123S84.6Confident85.7Confident91 Ų9170 Ų7064%0.63637%0.368SS*.Hα-helixtrans-53.3-30.4-173.3-54.20000115.4I125 Q126S123-I125 VanDerWaalsContact C-N 3.29Å; S123-I125 PolarHBondContact O-N 2.96Å; S123-Q126 VanDerWaalsContact CA-CD 3.47Å
124Y83.8Confident85.2Confident226 Ų22676.1 Ų76.189%0.88640%0.399SS*.Hα-helixtrans-67.1-26.6175.3-60.2-67.5000114.2L122L122-Y124 PolarHBondContact O-N 3.22Å
125I85Confident84.9Confident75 Ų7578.5 Ų78.539%0.38542%0.424SS..Hα-helixtrans-103.2-18.3-176.9-54.7174.7000110.9L122 S123 G127 L128 S129 F145L122-I125 PolarHBondContact O-N 3.09Å; S123-I125 VanDerWaalsContact C-N 3.29Å; S123-I125 PolarHBondContact O-N 2.96Å; I125-G127 VanDerWaalsContact C-N 3.28Å; I125-G127 PolarHBondContact O-N 3.39Å; I125-L128 PolarHBondContact O-N 3.45Å; I125-S129 PolarHBondContact O-N 2.87Å; I125-S129 PolarHBondContact O-OG 2.79Å; I125-F145 HydrophobicContact CG2-CD2 4.3Å; I125-F145 HydrophobicContact CG2-CE2 3.41Å; I125-F145 VanDerWaalsContact CG2-CE2 3.41Å; I125-F145 HydrophobicContact CG2-CZ 3.75Å
126Q85Confident84.7Confident38 Ų3885 Ų8518%0.17845%0.451CS..Hα-helixtrans-50.1-46177.6-76.8173.1-1.700112.3P121 L122 S123 L128 S129 H130 Y138P121-Q126 HydrophobicContact CB-CG 4.23Å; P121-Q126 VanDerWaalsContact O-CG 3.26Å; P121-Q126 WeakPolarHBondContact O-CG 3.19Å; P121-Q126 PolarHBondContact O-NE2 3.15Å; L122-Q126 PolarHBondContact O-N 3.39Å; L122-Q126 VanDerWaalsContact O-N 3.08Å; S123-Q126 VanDerWaalsContact CA-CD 3.47Å; Q126-L128 PolarHBondContact O-N 2.97Å; Q126-L128 VanDerWaalsContact O-N 3.11Å; Q126-S129 VanDerWaalsContact CA-OG 3.3Å; Q126-S129 WeakPolarHBondContact CA-OG 3.45Å; Q126-S129 PolarHBondContact O-N 3.47Å; Q126-S129 PolarHBondContact O-OG 3.38Å; Q126-S129 VanDerWaalsContact O-OG 3.08Å; Q126-H130 WeakPolarHBondContact O-CB 3.4Å; Q126-H130 PolarHBondContact O-N 3.01Å; Q126-Y138 HydrophobicContact CB-CD1 4.29Å; Q126-Y138 HydrophobicContact CG-CD1 4.19Å
127G84.1Confident84.7Confident60 Ų6081.8 Ų81.862%0.61944%0.44SS*.Hα-helixtrans-60.5-24.9178.900000114.6I125 R131I125-G127 VanDerWaalsContact C-N 3.28Å; I125-G127 PolarHBondContact O-N 3.39Å; G127-R131 WeakPolarHBondContact O-CB 3.32Å; G127-R131 PolarHBondContact O-N 2.99Å
128L83.5Confident84.6Confident61 Ų6184.7 Ų84.732%0.31945%0.449SS..Hα-helixtrans-89.9-42.8174.7-173.264000111.8I125 Q126 H130 R131 S142 I144 F145 I148I125-L128 PolarHBondContact O-N 3.45Å; Q126-L128 PolarHBondContact O-N 2.97Å; Q126-L128 VanDerWaalsContact O-N 3.11Å; L128-H130 PolarHBondContact O-N 2.86Å; L128-R131 PolarHBondContact O-N 2.7Å; L128-S142 PolarHBondContact O-OG 3.21Å; L128-S142 VanDerWaalsContact O-OG 3.07Å; L128-I144 HydrophobicContact CD1-CG2 3.89Å; L128-F145 HydrophobicContact CD2-CD2 4.06Å; L128-F145 HydrophobicContact CG-CD2 4.08Å; L128-I148 HydrophobicContact CD1-CD1 4.44Å; L128-I148 HydrophobicContact CD2-CD1 4.49Å
129S84.8Confident84.6Confident0 Ų079.8 Ų79.80%042%0.417CS..Hα-helixtrans-63.1-30.5177.962.80000112.7I125 Q126 S142I125-S129 PolarHBondContact O-N 2.87Å; I125-S129 PolarHBondContact O-OG 2.79Å; Q126-S129 VanDerWaalsContact CA-OG 3.3Å; Q126-S129 WeakPolarHBondContact CA-OG 3.45Å; Q126-S129 PolarHBondContact O-N 3.47Å; Q126-S129 PolarHBondContact O-OG 3.38Å; Q126-S129 VanDerWaalsContact O-OG 3.08Å; S129-S142 VanDerWaalsContact O-CB 3.3Å; S129-S142 WeakPolarHBondContact O-CB 3.34Å; S129-S142 PolarHBondContact O-N 3.45Å; S129-S142 PolarHBondContact O-OG 3.37Å
130H87.1Confident84.5Confident23 Ų2375.2 Ų75.211%0.10640%0.399CS..THydrogen-bonded Turntrans-1032.9179.2-93.3-162.6000116Q126 L128 N132 L133 D137 Y138 D140Q126-H130 WeakPolarHBondContact O-CB 3.4Å; Q126-H130 PolarHBondContact O-N 3.01Å; L128-H130 PolarHBondContact O-N 2.86Å; H130-N132 PolarHBondContact O-N 3.49Å; H130-L133 WeakPolarHBondContact O-CB 3.45Å; H130-L133 PolarHBondContact O-N 3.39Å; H130-D137 PolarHBondContact CE1-O 2.77Å; H130-D137 PolarHBondContact NE2-O 3.17Å; H130-Y138 WeakPolarHBondContact CE1-CA 3.44Å; H130-Y138 AromaticContact CE1-CD1 3.56Å; H130-Y138 AromaticContact CE1-CG 3.85Å; H130-Y138 PolarHBondContact CE1-N 3.37Å; H130-Y138 AromaticContact ND1-CD1 3.12Å; H130-Y138 WeakPolarHBondContact ND1-CD1 3.29Å; H130-Y138 AromaticContact ND1-CE1 3.44Å; H130-Y138 WeakPolarHBondContact ND1-CE1 3.41Å; H130-Y138 AromaticContact ND1-CG 3.88Å; H130-Y138 VanDerWaalsContact NE2-CA 3.33Å; H130-Y138 WeakPolarHBondContact NE2-CA 3.5Å; H130-D140 PolarHBondContact CD2-O 3.32Å; H130-D140 PolarHBondContact NE2-O 2.87Å
131R83.4Confident84.6Confident126 Ų12671.3 Ų71.348%0.47538%0.375SS..THydrogen-bonded Turntrans-56.1132.1-178.3-168.3173175.9-162.3-0.5111.3G127 L128 L133 S142 I144G127-R131 WeakPolarHBondContact O-CB 3.32Å; G127-R131 PolarHBondContact O-N 2.99Å; L128-R131 PolarHBondContact O-N 2.7Å; R131-L133 PolarHBondContact O-N 3.46Å; R131-S142 WeakPolarHBondContact O-CB 3.09Å; R131-I144 HydrophobicContact CB-CD1 4.5Å; R131-I144 HydrophobicContact CG-CD1 4.16Å
132N81.8Confident84.8Confident69 Ų6971.2 Ų71.237%0.36937%0.374SS..THydrogen-bonded Turntrans62.414.6-179.2-84.760.5000115.1N106 D110 G111 H130N106-N132 PolarHBondContact OD1-ND2 3.43Å; D110-N132 PolarHBondContact OD1-ND2 3.26Å; G111-N132 WeakPolarHBondContact CA-O 3.42Å; G111-N132 PolarHBondContact N-O 2.86Å; H130-N132 PolarHBondContact O-N 3.49Å
133L84.8Confident84.8Confident26 Ų2665.3 Ų65.314%0.13634%0.343CS..  trans-94.7145.8170.3-63.2-175.5000111.2R112 V113 H130 R131 D140R112-L133 VanDerWaalsContact C-CD2 3.42Å; R112-L133 WeakPolarHBondContact O-CD2 3.33Å; V113-L133 HydrophobicContact CG2-CD1 4.32Å; V113-L133 HydrophobicContact CG2-CD2 4.18Å; H130-L133 WeakPolarHBondContact O-CB 3.45Å; H130-L133 PolarHBondContact O-N 3.39Å; R131-L133 PolarHBondContact O-N 3.46Å; L133-D140 HydrophobicContact CD1-CB 3.88Å
134L76.5Confident84.9Confident153 Ų15361.4 Ų61.480%0.80132%0.315SS*.  trans-99.6115.9173.4-65.7163.4000107.7
135G80.5Confident85.1Confident50 Ų5051.7 Ų51.752%0.51528%0.277SS..SBendtrans140.5165.2177.400000113.5
136E82.6Confident85.3Confident156 Ų15649.4 Ų49.473%0.72927%0.266SS*.SBendtrans-103.24.6-178.8-63.7-66.915400112.6Y138E136-Y138 VanDerWaalsContact O-CD2 3.26Å; E136-Y138 WeakPolarHBondContact O-CD2 3.05Å; E136-Y138 WeakPolarHBondContact O-CE2 3.49Å; E136-Y138 PolarHBondContact O-N 2.84Å; E136-Y138 PolarHBondContact OE2-OH 3.48Å
137D87.1Confident85.5Confident62 Ų6247.9 Ų47.933%0.33226%0.259SS..  trans-84.790.1-180-174.6-4.1000111.2K116 H130 T139 D140K116-D137 WeakPolarHBondContact CE-OD2 3.28Å; K116-D137 IonicContact NZ-OD2 2.7Å; K116-D137 PolarHBondContact NZ-OD2 3.38Å; H130-D137 PolarHBondContact CE1-O 2.77Å; H130-D137 PolarHBondContact NE2-O 3.17Å; D137-T139 PolarHBondContact O-N 2.97Å; D137-T139 WeakPolarHBondContact OD1-CB 3.33Å; D137-T139 PolarHBondContact OD1-N 3.4Å; D137-T139 PolarHBondContact OD1-OG1 2.86Å; D137-T139 PolarHBondContact OD2-OG1 3.12Å; D137-D140 WeakPolarHBondContact O-CB 3.49Å; D137-D140 PolarHBondContact O-N 3.3Å
138Y84.6Confident85.7Confident92 Ų9247.9 Ų47.936%0.36124%0.244SC..THydrogen-bonded Turntrans-57.3-4.3178.5-63.8-79000116.2P121 Q126 H130 E136P121-Y138 WeakPolarHBondContact CD-O 3.31Å; Q126-Y138 HydrophobicContact CB-CD1 4.29Å; Q126-Y138 HydrophobicContact CG-CD1 4.19Å; H130-Y138 WeakPolarHBondContact CE1-CA 3.44Å; H130-Y138 AromaticContact CE1-CD1 3.56Å; H130-Y138 AromaticContact CE1-CG 3.85Å; H130-Y138 PolarHBondContact CE1-N 3.37Å; H130-Y138 AromaticContact ND1-CD1 3.12Å; H130-Y138 WeakPolarHBondContact ND1-CD1 3.29Å; H130-Y138 AromaticContact ND1-CE1 3.44Å; H130-Y138 WeakPolarHBondContact ND1-CE1 3.41Å; H130-Y138 AromaticContact ND1-CG 3.88Å; H130-Y138 VanDerWaalsContact NE2-CA 3.33Å; H130-Y138 WeakPolarHBondContact NE2-CA 3.5Å; E136-Y138 VanDerWaalsContact O-CD2 3.26Å; E136-Y138 WeakPolarHBondContact O-CD2 3.05Å; E136-Y138 WeakPolarHBondContact O-CE2 3.49Å; E136-Y138 PolarHBondContact O-N 2.84Å; E136-Y138 PolarHBondContact OE2-OH 3.48Å
139T87.6Confident85.9Confident25 Ų2548.9 Ų48.915%0.15325%0.249CC..THydrogen-bonded Turntrans-84-14170.166.50000113.1K116 L117 V120 D137K116-T139 CarbonylContact C-O 3.6Å; K116-T139 WeakPolarHBondContact CE-OG1 3.46Å; L117-T139 PolarHBondContact N-O 3.18Å; V120-T139 HydrophobicContact CG2-CG2 3.71Å; D137-T139 PolarHBondContact O-N 2.97Å; D137-T139 WeakPolarHBondContact OD1-CB 3.33Å; D137-T139 PolarHBondContact OD1-N 3.4Å; D137-T139 PolarHBondContact OD1-OG1 2.86Å; D137-T139 PolarHBondContact OD2-OG1 3.12Å
140D87.7Confident86.1Confident28 Ų2850 Ų5015%0.1526%0.257CS..EExtended strand (participates in β ladder)trans-71145.9175.6-68.3-19.7000111.6V113 K116 H130 L133 D137V113-D140 HydrophobicContact CB-CB 4.47Å; V113-D140 HydrophobicContact CG1-CB 3.73Å; V113-D140 HydrophobicContact CG2-CB 3.93Å; V113-D140 WeakPolarHBondContact CG2-OD2 3.48Å; K116-D140 IonicContact NZ-OD1 3.97Å; H130-D140 PolarHBondContact CD2-O 3.32Å; H130-D140 PolarHBondContact NE2-O 2.87Å; L133-D140 HydrophobicContact CD1-CB 3.88Å; D137-D140 WeakPolarHBondContact O-CB 3.49Å; D137-D140 PolarHBondContact O-N 3.3Å
141C88Confident86.1Confident1 Ų149 Ų491%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-119.6129.3-175.7-177.40000110.4V114 A115 L117V114-C141 WeakPolarHBondContact CG2-O 3.49Å; V114-C141 PolarHBondContact N-O 3.25Å; V114-C141 VanDerWaalsContact N-O 3.14Å; A115-C141 HydrophobicContact CB-CB 3.98Å; A115-C141 WeakPolarHBondContact O-CB 3.4Å; A115-C141 PolarHBondContact O-N 3.43Å; L117-C141 HydrophobicContact CG-CB 4.18Å
142S89.9Confident86Confident2 Ų246.9 Ų46.91%0.01425%0.248CC..  trans-78.6154.1175.474.30000111.4L128 S129 R131 I144 F145 L146L128-S142 PolarHBondContact O-OG 3.21Å; L128-S142 VanDerWaalsContact O-OG 3.07Å; S129-S142 VanDerWaalsContact O-CB 3.3Å; S129-S142 WeakPolarHBondContact O-CB 3.34Å; S129-S142 PolarHBondContact O-N 3.45Å; S129-S142 PolarHBondContact O-OG 3.37Å; R131-S142 WeakPolarHBondContact O-CB 3.09Å; S142-I144 PolarHBondContact O-N 2.92Å; S142-F145 PolarHBondContact O-N 3.01Å; S142-F145 PolarHBondContact OG-N 3.49Å; S142-L146 PolarHBondContact O-N 2.86Å
143F88.1Confident86.3Confident7 Ų746.6 Ų46.63%0.03125%0.252CS..Hα-helixtrans-50.9-46.1171.2167.8-89.5000111.6I11 M102 F105 F109 V114 F145 L146 Y147I11-F143 HydrophobicContact CB-CE2 4.45Å; I11-F143 HydrophobicContact CD1-CD2 3.66Å; I11-F143 HydrophobicContact CD1-CE2 4.35Å; I11-F143 HydrophobicContact CG1-CD2 3.56Å; I11-F143 HydrophobicContact CG1-CE2 3.75Å; I11-F143 HydrophobicContact CG2-CD2 4.27Å; I11-F143 HydrophobicContact CG2-CE2 4.12Å; M102-F143 HydrophobicContact SD-CE1 4.01Å; F105-F143 HydrophobicContact CB-CD1 4.04Å; F105-F143 HydrophobicContact CB-CE1 3.28Å; F105-F143 HydrophobicContact CB-CE2 3.95Å; F105-F143 HydrophobicContact CB-CZ 3.24Å; F105-F143 HydrophobicContact CD1-CZ 4.48Å; F105-F143 HydrophobicContact CD2-CE1 4.2Å; F105-F143 AromaticContact CD2-CZ 3.63Å; F105-F143 HydrophobicContact CD2-CZ 3.63Å; F105-F143 HydrophobicContact CG-CE1 4.07Å; F105-F143 HydrophobicContact CG-CE2 4.21Å; F105-F143 AromaticContact CG-CZ 3.55Å; F105-F143 HydrophobicContact CG-CZ 3.55Å; F109-F143 HydrophobicContact CB-CB 3.67Å; F109-F143 HydrophobicContact CB-CD2 4.24Å; F109-F143 HydrophobicContact CB-CG 3.99Å; F109-F143 HydrophobicContact CD1-CD2 4.45Å; F109-F143 HydrophobicContact CD2-CB 4.41Å; F109-F143 AromaticContact CD2-CD2 3.36Å; F109-F143 HydrophobicContact CD2-CD2 3.36Å; F109-F143 AromaticContact CD2-CE2 3.76Å; F109-F143 HydrophobicContact CD2-CE2 3.76Å; F109-F143 AromaticContact CD2-CG 3.85Å; F109-F143 HydrophobicContact CD2-CG 3.85Å; F109-F143 AromaticContact CE2-CD2 3.74Å; F109-F143 HydrophobicContact CE2-CD2 3.74Å; F109-F143 AromaticContact CE2-CE2 3.78Å; F109-F143 HydrophobicContact CE2-CE2 3.78Å; F109-F143 HydrophobicContact CG-CB 4.1Å; F109-F143 AromaticContact CG-CD2 3.78Å; F109-F143 HydrophobicContact CG-CD2 3.78Å; F109-F143 HydrophobicContact CG-CG 4.05Å; F109-F143 HydrophobicContact CZ-CD2 4.43Å; V114-F143 HydrophobicContact CG1-CB 4.27Å; F143-F145 VanDerWaalsContact C-N 3.32Å; F143-F145 PolarHBondContact O-N 2.87Å; F143-L146 PolarHBondContact O-N 3.31Å; F143-Y147 HydrophobicContact CE1-CD1 4.48Å; F143-Y147 HydrophobicContact CE1-CG 4.11Å; F143-Y147 AromaticContact CZ-CD2 3.97Å; F143-Y147 HydrophobicContact CZ-CD2 3.97Å; F143-Y147 AromaticContact CZ-CG 3.85Å; F143-Y147 HydrophobicContact CZ-CG 3.85Å; F143-Y147 WeakPolarHBondContact O-CB 3.16Å; F143-Y147 PolarHBondContact O-N 3.14Å
144I86.9Confident86.4Confident10 Ų1047.2 Ų47.25%0.05126%0.255CS..Hα-helixtrans-59.9-45.5-173.7-64.5173.3000110.3M102 L128 R131 S142 I148M102-I144 HydrophobicContact CE-CG2 4Å; L128-I144 HydrophobicContact CD1-CG2 3.89Å; R131-I144 HydrophobicContact CB-CD1 4.5Å; R131-I144 HydrophobicContact CG-CD1 4.16Å; S142-I144 PolarHBondContact O-N 2.92Å; I144-I148 HydrophobicContact CG2-CD1 3.7Å; I144-I148 HydrophobicContact CG2-CG1 4.49Å; I144-I148 WeakPolarHBondContact O-CB 3.17Å; I144-I148 WeakPolarHBondContact O-CG1 3.18Å; I144-I148 PolarHBondContact O-N 3.4Å
145F88.3Confident86.7Confident21 Ų2141.3 Ų41.39%0.09222%0.222CC..Hα-helixtrans-66.7-49.9-177.7-177.2-122.8000111.7L117 I125 L128 S142 F143 Y147 I148 L149L117-F145 HydrophobicContact CD1-CE1 4.08Å; I125-F145 HydrophobicContact CG2-CD2 4.3Å; I125-F145 HydrophobicContact CG2-CE2 3.41Å; I125-F145 VanDerWaalsContact CG2-CE2 3.41Å; I125-F145 HydrophobicContact CG2-CZ 3.75Å; L128-F145 HydrophobicContact CD2-CD2 4.06Å; L128-F145 HydrophobicContact CG-CD2 4.08Å; S142-F145 PolarHBondContact O-N 3.01Å; S142-F145 PolarHBondContact OG-N 3.49Å; F143-F145 VanDerWaalsContact C-N 3.32Å; F143-F145 PolarHBondContact O-N 2.87Å; F145-Y147 PolarHBondContact O-N 3.35Å; F145-I148 PolarHBondContact O-N 3.25Å; F145-L149 HydrophobicContact CD1-CD1 4.08Å; F145-L149 HydrophobicContact CD2-CD1 4.2Å; F145-L149 HydrophobicContact CD2-CG 4.3Å; F145-L149 HydrophobicContact CE1-CD1 3.6Å; F145-L149 HydrophobicContact CE2-CD1 3.73Å; F145-L149 HydrophobicContact CE2-CD2 4.42Å; F145-L149 HydrophobicContact CE2-CG 4.03Å; F145-L149 HydrophobicContact CG-CD1 4.37Å; F145-L149 HydrophobicContact CZ-CD1 3.42Å; F145-L149 VanDerWaalsContact CZ-CD1 3.42Å; F145-L149 HydrophobicContact CZ-CG 4.23Å; F145-L149 WeakPolarHBondContact O-CB 3.45Å; F145-L149 WeakPolarHBondContact O-CG 3.39Å; F145-L149 PolarHBondContact O-N 3.26Å
146L89.2Confident86.8Confident28 Ų2844.1 Ų44.115%0.14722%0.222CC..Hα-helixtrans-61.6-45.4179.1-171.561.9000111.3T8 I11 V114 A115 S142 F143 I148 L149 C150T8-L146 HydrophobicContact CG2-CD2 4.19Å; I11-L146 HydrophobicContact CB-CD2 4.3Å; I11-L146 HydrophobicContact CD1-CD2 4.23Å; I11-L146 HydrophobicContact CG2-CB 4.32Å; I11-L146 HydrophobicContact CG2-CD2 3.97Å; I11-L146 HydrophobicContact CG2-CG 4.05Å; V114-L146 HydrophobicContact CG2-CD2 4.24Å; A115-L146 HydrophobicContact CB-CD2 4.37Å; S142-L146 PolarHBondContact O-N 2.86Å; F143-L146 PolarHBondContact O-N 3.31Å; L146-I148 PolarHBondContact O-N 3.36Å; L146-L149 PolarHBondContact O-N 3.07Å; L146-C150 WeakPolarHBondContact O-CB 3.41Å; L146-C150 PolarHBondContact O-N 3.31Å; L146-C150 PolarHBondContact O-SG 2.79Å
147Y88.8Confident86.9Confident6 Ų641.2 Ų41.22%0.02421%0.211CC..Hα-helixtrans-62.3-44.5178.9173.8-96.6000112.5I14 T18 M102 F143 F145 T151I14-Y147 HydrophobicContact CG2-CD2 4.3Å; I14-Y147 HydrophobicContact CG2-CE2 3.98Å; T18-Y147 WeakPolarHBondContact CB-OH 3.25Å; T18-Y147 HydrophobicContact CG2-CE2 4.1Å; T18-Y147 WeakPolarHBondContact CG2-OH 3.1Å; T18-Y147 WeakPolarHBondContact OG1-CE2 3.37Å; T18-Y147 PolarHBondContact OG1-OH 3.31Å; M102-Y147 HydrophobicContact CE-CD1 3.27Å; M102-Y147 HydrophobicContact CE-CE1 3.68Å; M102-Y147 HydrophobicContact CE-CG 4.39Å; M102-Y147 HydrophobicContact CG-CE1 4.31Å; M102-Y147 HydrophobicContact SD-CD1 3.6Å; M102-Y147 HydrophobicContact SD-CE1 3.74Å; F143-Y147 HydrophobicContact CE1-CD1 4.48Å; F143-Y147 HydrophobicContact CE1-CG 4.11Å; F143-Y147 AromaticContact CZ-CD2 3.97Å; F143-Y147 HydrophobicContact CZ-CD2 3.97Å; F143-Y147 AromaticContact CZ-CG 3.85Å; F143-Y147 HydrophobicContact CZ-CG 3.85Å; F143-Y147 WeakPolarHBondContact O-CB 3.16Å; F143-Y147 PolarHBondContact O-N 3.14Å; F145-Y147 PolarHBondContact O-N 3.35Å; Y147-T151 WeakPolarHBondContact CE2-OG1 3.15Å; Y147-T151 WeakPolarHBondContact O-CB 3.21Å; Y147-T151 PolarHBondContact O-N 3.4Å; Y147-T151 PolarHBondContact O-OG1 3.22Å
148I87.4Confident86.7Confident59 Ų5939.2 Ų39.230%0.30320%0.2SC..Hα-helixtrans-63-47.8177.6-70.9169.6000110.3M102 L128 I144 F145 L146 T151 M152M102-I148 HydrophobicContact CE-CD1 3.86Å; M102-I148 HydrophobicContact CE-CG1 3.51Å; L128-I148 HydrophobicContact CD1-CD1 4.44Å; L128-I148 HydrophobicContact CD2-CD1 4.49Å; I144-I148 HydrophobicContact CG2-CD1 3.7Å; I144-I148 HydrophobicContact CG2-CG1 4.49Å; I144-I148 WeakPolarHBondContact O-CB 3.17Å; I144-I148 WeakPolarHBondContact O-CG1 3.18Å; I144-I148 PolarHBondContact O-N 3.4Å; F145-I148 PolarHBondContact O-N 3.25Å; L146-I148 PolarHBondContact O-N 3.36Å; I148-T151 PolarHBondContact O-N 3.03Å; I148-M152 HydrophobicContact CG2-CG 4.3Å; I148-M152 WeakPolarHBondContact O-CB 3.06Å; I148-M152 VanDerWaalsContact O-CG 3.29Å; I148-M152 WeakPolarHBondContact O-CG 3.26Å; I148-M152 PolarHBondContact O-N 2.93Å
149L88.2Confident86.4Confident82 Ų8236.7 Ų36.743%0.42919%0.192SC..Hα-helixtrans-60.2-48.9-180-77.2-178.5000111.8F145 L146 S153F145-L149 HydrophobicContact CD1-CD1 4.08Å; F145-L149 HydrophobicContact CD2-CD1 4.2Å; F145-L149 HydrophobicContact CD2-CG 4.3Å; F145-L149 HydrophobicContact CE1-CD1 3.6Å; F145-L149 HydrophobicContact CE2-CD1 3.73Å; F145-L149 HydrophobicContact CE2-CD2 4.42Å; F145-L149 HydrophobicContact CE2-CG 4.03Å; F145-L149 HydrophobicContact CG-CD1 4.37Å; F145-L149 HydrophobicContact CZ-CD1 3.42Å; F145-L149 VanDerWaalsContact CZ-CD1 3.42Å; F145-L149 HydrophobicContact CZ-CG 4.23Å; F145-L149 WeakPolarHBondContact O-CB 3.45Å; F145-L149 WeakPolarHBondContact O-CG 3.39Å; F145-L149 PolarHBondContact O-N 3.26Å; L146-L149 PolarHBondContact O-N 3.07Å; L149-S153 VanDerWaalsContact O-CB 3.25Å; L149-S153 WeakPolarHBondContact O-CB 3.46Å; L149-S153 PolarHBondContact O-N 3.26Å; L149-S153 PolarHBondContact O-OG 3.36Å
150C89Confident86Confident24 Ų2441.9 Ų41.916%0.16221%0.212CC..Hα-helixtrans-63.8-49.8178.8-680000111S15 L146 M152 S153 I154S15-C150 VanDerWaalsContact OG-CB 3.27Å; S15-C150 WeakPolarHBondContact OG-CB 2.94Å; L146-C150 WeakPolarHBondContact O-CB 3.41Å; L146-C150 PolarHBondContact O-N 3.31Å; L146-C150 PolarHBondContact O-SG 2.79Å; C150-M152 PolarHBondContact O-N 3.28Å; C150-S153 PolarHBondContact O-N 2.83Å; C150-I154 HydrophobicContact CB-CD1 4.16Å; C150-I154 VanDerWaalsContact O-CB 3.3Å; C150-I154 WeakPolarHBondContact O-CB 3.36Å; C150-I154 WeakPolarHBondContact O-CD1 3.13Å; C150-I154 VanDerWaalsContact O-CG1 3.22Å; C150-I154 WeakPolarHBondContact O-CG1 3.42Å; C150-I154 PolarHBondContact O-N 3.35Å
151T86.5Confident85.6Confident2 Ų247.9 Ų47.91%0.01224%0.241CC..Hα-helixtrans-61.3-44.2-177.4-55.70000111.6S15 F98 Y147 I148 R155S15-T151 WeakPolarHBondContact CB-OG1 3.33Å; F98-T151 HydrophobicContact CE2-CG2 4.31Å; F98-T151 HydrophobicContact CZ-CG2 3.89Å; Y147-T151 WeakPolarHBondContact CE2-OG1 3.15Å; Y147-T151 WeakPolarHBondContact O-CB 3.21Å; Y147-T151 PolarHBondContact O-N 3.4Å; Y147-T151 PolarHBondContact O-OG1 3.22Å; I148-T151 PolarHBondContact O-N 3.03Å; T151-R155 WeakPolarHBondContact O-CB 3.14Å; T151-R155 PolarHBondContact O-N 2.7Å
152M82.8Confident85.1Confident81 Ų8152.4 Ų52.440%0.39927%0.265SS..Hα-helixtrans-66.2-43.1178.1-70-61.2123.200111.9F98 I148 C150 Q156F98-M152 HydrophobicContact CE2-CE 4.46Å; I148-M152 HydrophobicContact CG2-CG 4.3Å; I148-M152 WeakPolarHBondContact O-CB 3.06Å; I148-M152 VanDerWaalsContact O-CG 3.29Å; I148-M152 WeakPolarHBondContact O-CG 3.26Å; I148-M152 PolarHBondContact O-N 2.93Å; C150-M152 PolarHBondContact O-N 3.28Å; M152-Q156 WeakPolarHBondContact O-CB 3.11Å; M152-Q156 VanDerWaalsContact O-CG 3.26Å; M152-Q156 WeakPolarHBondContact O-CG 3.3Å; M152-Q156 PolarHBondContact O-N 3.25Å; M152-Q156 VanDerWaalsContact O-N 3.12Å
153S86.8Confident84.3Confident64 Ų6454.7 Ų54.745%0.44829%0.289SS..Hα-helixtrans-65.5-48.9179.4-58.50000111.6L149 C150 N157L149-S153 VanDerWaalsContact O-CB 3.25Å; L149-S153 WeakPolarHBondContact O-CB 3.46Å; L149-S153 PolarHBondContact O-N 3.26Å; L149-S153 PolarHBondContact O-OG 3.36Å; C150-S153 PolarHBondContact O-N 2.83Å; S153-N157 PolarHBondContact O-N 2.58Å; S153-N157 PolarHBondContact O-ND2 3.43Å
154I87.5Confident83.4Confident39 Ų3955.8 Ų55.820%0.230%0.295CS..Hα-helixtrans-64.3-49-179.2-68.2159.9000110S15 V16 A19 C150 Q156 N157 I158S15-I154 VanDerWaalsContact OG-CD1 3.29Å; S15-I154 WeakPolarHBondContact OG-CD1 3.4Å; V16-I154 HydrophobicContact CG2-CD1 3.64Å; A19-I154 HydrophobicContact CB-CB 4.43Å; A19-I154 HydrophobicContact CB-CG2 3.88Å; C150-I154 HydrophobicContact CB-CD1 4.16Å; C150-I154 VanDerWaalsContact O-CB 3.3Å; C150-I154 WeakPolarHBondContact O-CB 3.36Å; C150-I154 WeakPolarHBondContact O-CD1 3.13Å; C150-I154 VanDerWaalsContact O-CG1 3.22Å; C150-I154 WeakPolarHBondContact O-CG1 3.42Å; C150-I154 PolarHBondContact O-N 3.35Å; I154-Q156 PolarHBondContact O-N 2.9Å; I154-N157 PolarHBondContact O-N 3.06Å; I154-N157 VanDerWaalsContact O-N 3.14Å; I154-I158 HydrophobicContact CG2-CD1 3.55Å; I154-I158 HydrophobicContact CG2-CG1 4.16Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 3.08Å
155R83.2Confident82.2Confident28 Ų2856.9 Ų56.911%0.10631%0.305CS..Hα-helixtrans-59.6-45.9-178.2-174.6179.6-176.7-172.32.5112.3A19 T151 N157 I158 Q159A19-R155 HydrophobicContact CB-CB 4.2Å; T151-R155 WeakPolarHBondContact O-CB 3.14Å; T151-R155 PolarHBondContact O-N 2.7Å; R155-N157 VanDerWaalsContact C-N 3.3Å; R155-N157 PolarHBondContact O-N 2.9Å; R155-I158 PolarHBondContact O-N 3.24Å; R155-Q159 VanDerWaalsContact O-CG 3.31Å; R155-Q159 WeakPolarHBondContact O-CG 3.39Å; R155-Q159 PolarHBondContact O-N 2.81Å
156Q81.6Confident81Confident110 Ų11058.9 Ų58.951%0.51432%0.321SS..Hα-helixtrans-62.6-38.1177.8-73.6-179.27.100112.1M152 I154 K160M152-Q156 WeakPolarHBondContact O-CB 3.11Å; M152-Q156 VanDerWaalsContact O-CG 3.26Å; M152-Q156 WeakPolarHBondContact O-CG 3.3Å; M152-Q156 PolarHBondContact O-N 3.25Å; M152-Q156 VanDerWaalsContact O-N 3.12Å; I154-Q156 PolarHBondContact O-N 2.9Å; Q156-K160 VanDerWaalsContact O-CG 3.32Å; Q156-K160 WeakPolarHBondContact O-CG 3.48Å; Q156-K160 PolarHBondContact O-N 3.46Å; Q156-K160 VanDerWaalsContact O-N 3.09Å
157N85.1Confident79.3Confident95 Ų9560 Ų6051%0.50833%0.331SS..Hα-helixtrans-70-41177.3-75.8-53.6000112.1S153 I154 R155 Q159 K160 M161S153-N157 PolarHBondContact O-N 2.58Å; S153-N157 PolarHBondContact O-ND2 3.43Å; I154-N157 PolarHBondContact O-N 3.06Å; I154-N157 VanDerWaalsContact O-N 3.14Å; R155-N157 VanDerWaalsContact C-N 3.3Å; R155-N157 PolarHBondContact O-N 2.9Å; N157-Q159 VanDerWaalsContact C-N 3.34Å; N157-Q159 PolarHBondContact O-N 2.78Å; N157-K160 PolarHBondContact O-N 3.08Å; N157-M161 WeakPolarHBondContact O-CB 3.44Å; N157-M161 PolarHBondContact O-N 2.93Å
158I82.7Confident77.9Confident19 Ų1971 Ų7110%0.09737%0.372CS..Hα-helixtrans-58.3-46.7173-70.6172.3000110.4A19 L20 E23 I154 R155 K160 M161 L162A19-I158 HydrophobicContact CB-CD1 4.3Å; L20-I158 HydrophobicContact CD2-CD1 3.95Å; L20-I158 HydrophobicContact CG-CD1 4.4Å; E23-I158 HydrophobicContact CG-CG2 4.17Å; I154-I158 HydrophobicContact CG2-CD1 3.55Å; I154-I158 HydrophobicContact CG2-CG1 4.16Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 3.08Å; R155-I158 PolarHBondContact O-N 3.24Å; I158-K160 VanDerWaalsContact C-N 3.32Å; I158-K160 PolarHBondContact O-N 3.39Å; I158-M161 PolarHBondContact O-N 3.49Å; I158-L162 HydrophobicContact CG2-CD1 3.58Å; I158-L162 HydrophobicContact CG2-CG 4.25Å; I158-L162 WeakPolarHBondContact O-CB 3.44Å; I158-L162 WeakPolarHBondContact O-CG 3.12Å; I158-L162 PolarHBondContact O-N 3.49Å
159Q78.6Confident76.1Confident39 Ų3969.2 Ų69.218%0.18237%0.366CS..Hα-helixtrans-63.2-36.9179.5-73.5177.5-10.800113.2E23 R155 N157 G163 L164 A165E23-Q159 WeakPolarHBondContact OE2-CG 3.49Å; E23-Q159 PolarHBondContact OE2-NE2 2.93Å; R155-Q159 VanDerWaalsContact O-CG 3.31Å; R155-Q159 WeakPolarHBondContact O-CG 3.39Å; R155-Q159 PolarHBondContact O-N 2.81Å; N157-Q159 VanDerWaalsContact C-N 3.34Å; N157-Q159 PolarHBondContact O-N 2.78Å; Q159-G163 PolarHBondContact O-N 3.31Å; Q159-L164 PolarHBondContact O-N 3.36Å; Q159-A165 PolarHBondContact O-N 3Å
160K80.6Confident74.5Confident135 Ų13565.8 Ų65.859%0.58735%0.35SS*.Hα-helixtrans-66.9-47173.7-73.7171.8-175.5172.40111.1Q156 N157 I158 L162 G163 A165Q156-K160 VanDerWaalsContact O-CG 3.32Å; Q156-K160 WeakPolarHBondContact O-CG 3.48Å; Q156-K160 PolarHBondContact O-N 3.46Å; Q156-K160 VanDerWaalsContact O-N 3.09Å; N157-K160 PolarHBondContact O-N 3.08Å; I158-K160 VanDerWaalsContact C-N 3.32Å; I158-K160 PolarHBondContact O-N 3.39Å; K160-L162 VanDerWaalsContact C-N 3.33Å; K160-L162 PolarHBondContact O-N 3.09Å; K160-G163 PolarHBondContact O-N 2.96Å; K160-G163 VanDerWaalsContact O-N 3.16Å; K160-A165 HydrophobicContact CG-CB 4.41Å
161M78.8Confident72.9Confident153 Ų15366.9 Ų66.975%0.75436%0.356SS*.Hα-helixtrans-62.4-38.4-179.8-175.5173.657.700112.2N157 I158 G163N157-M161 WeakPolarHBondContact O-CB 3.44Å; N157-M161 PolarHBondContact O-N 2.93Å; I158-M161 PolarHBondContact O-N 3.49Å; M161-G163 VanDerWaalsContact C-N 3.3Å; M161-G163 PolarHBondContact O-N 3.31Å
162L76.8Confident71.4Confident96 Ų9674.2 Ų74.250%0.50339%0.388SS..THydrogen-bonded Turntrans-81.6-2.6178.4-64174.6000113.8E23 I158 K160 L164E23-L162 HydrophobicContact CG-CD1 4.23Å; I158-L162 HydrophobicContact CG2-CD1 3.58Å; I158-L162 HydrophobicContact CG2-CG 4.25Å; I158-L162 WeakPolarHBondContact O-CB 3.44Å; I158-L162 WeakPolarHBondContact O-CG 3.12Å; I158-L162 PolarHBondContact O-N 3.49Å; K160-L162 VanDerWaalsContact C-N 3.33Å; K160-L162 PolarHBondContact O-N 3.09Å; L162-L164 HydrophobicContact CB-CB 4.3Å; L162-L164 HydrophobicContact CB-CD1 3.54Å; L162-L164 HydrophobicContact CB-CG 3.67Å; L162-L164 HydrophobicContact CD1-CD1 3.71Å; L162-L164 HydrophobicContact CG-CD1 4.27Å; L162-L164 PolarHBondContact O-N 3.49Å
163G72.8Confident69.9Low51 Ų5172.8 Ų72.853%0.52638%0.38SS..THydrogen-bonded Turntrans64.817.7-175.400000113.8Q159 K160 M161Q159-G163 PolarHBondContact O-N 3.31Å; K160-G163 PolarHBondContact O-N 2.96Å; K160-G163 VanDerWaalsContact O-N 3.16Å; M161-G163 VanDerWaalsContact C-N 3.3Å; M161-G163 PolarHBondContact O-N 3.31Å
164L69.2Low68.2Low30 Ų3071.1 Ų71.116%0.15737%0.37CS..  trans-89.6-12.2-178.4-65.1175.6000112.1E23 Y31 Q159 L162E23-L164 VanDerWaalsContact OE1-CD1 3.27Å; E23-L164 WeakPolarHBondContact OE1-CD1 3.45Å; Y31-L164 HydrophobicContact CD1-CD2 4.16Å; Y31-L164 HydrophobicContact CD2-CD1 4Å; Y31-L164 HydrophobicContact CD2-CD2 3.92Å; Y31-L164 HydrophobicContact CD2-CG 4.49Å; Y31-L164 HydrophobicContact CE1-CD2 3.98Å; Y31-L164 HydrophobicContact CE2-CB 4.1Å; Y31-L164 HydrophobicContact CE2-CD1 3.57Å; Y31-L164 HydrophobicContact CE2-CD2 3.81Å; Y31-L164 HydrophobicContact CE2-CG 4.01Å; Y31-L164 HydrophobicContact CG-CD2 4.16Å; Y31-L164 WeakPolarHBondContact OH-CB 3.33Å; Y31-L164 PolarHBondContact OH-O 3.01Å; Q159-L164 PolarHBondContact O-N 3.36Å; L162-L164 HydrophobicContact CB-CB 4.3Å; L162-L164 HydrophobicContact CB-CD1 3.54Å; L162-L164 HydrophobicContact CB-CG 3.67Å; L162-L164 HydrophobicContact CD1-CD1 3.71Å; L162-L164 HydrophobicContact CG-CD1 4.27Å; L162-L164 PolarHBondContact O-N 3.49Å
165A63.1Low66.4Low32 Ų3272 Ų7226%0.26439%0.389SS..SBendtrans-53.8141.9173.500000111.6Q159 K160 S167Q159-A165 PolarHBondContact O-N 3Å; K160-A165 HydrophobicContact CG-CB 4.41Å; A165-S167 PolarHBondContact O-N 3.44Å
166P61.5Low64.3Low64 Ų6473.1 Ų73.142%0.41641%0.41SS..PPolyproline II helixtrans-53.5131.7170.2-17.928.1000110
167S55.3Low62.4Low52 Ų5278 Ų7836%0.36443%0.429SS..PPolyproline II helixtrans-63.2143.3177.371.40000109.8A165 A169 A170 T171A165-S167 PolarHBondContact O-N 3.44Å; S167-A169 PolarHBondContact O-N 3.24Å; S167-A169 VanDerWaalsContact O-N 3.13Å; S167-A170 WeakPolarHBondContact O-CB 3.26Å; S167-A170 PolarHBondContact O-N 3.02Å; S167-A170 VanDerWaalsContact OG-CB 3.31Å; S167-A170 WeakPolarHBondContact OG-CB 3.45Å; S167-A170 PolarHBondContact OG-N 3.25Å; S167-T171 PolarHBondContact O-N 3.37Å; S167-T171 PolarHBondContact O-OG1 2.86Å
168R57.8Low60.2Low235 Ų23580 Ų8089%0.88744%0.44SS*.Hα-helixtrans-53.1-36.7179.8-71.6-178.1171.7-175-2.6112.4T171 K172R168-T171 PolarHBondContact O-N 3.28Å; R168-K172 PolarHBondContact O-N 3.49Å
169A51.1Low58.2Low22 Ų2280.5 Ų80.518%0.18245%0.449CS..Hα-helixtrans-67-40.2176.400000112.8S167 K172 Q173S167-A169 PolarHBondContact O-N 3.24Å; S167-A169 VanDerWaalsContact O-N 3.13Å; A169-K172 PolarHBondContact O-N 3.11Å; A169-Q173 PolarHBondContact O-N 2.92Å
170A53.2Low56Low11 Ų1183.1 Ų83.19%0.09147%0.47CS..Hα-helixtrans-68.4-35174.800000112.1V43 N80 S167 Q173 A174V43-A170 HydrophobicContact CG1-CB 4.33Å; N80-A170 PolarHBondContact ND2-O 3.24Å; N80-A170 VanDerWaalsContact ND2-O 3.13Å; S167-A170 WeakPolarHBondContact O-CB 3.26Å; S167-A170 PolarHBondContact O-N 3.02Å; S167-A170 VanDerWaalsContact OG-CB 3.31Å; S167-A170 WeakPolarHBondContact OG-CB 3.45Å; S167-A170 PolarHBondContact OG-N 3.25Å; A170-Q173 PolarHBondContact O-N 3.19Å; A170-A174 WeakPolarHBondContact O-CB 3.19Å; A170-A174 PolarHBondContact O-N 3.05Å
171T56.5Low53.6Low46 Ų4682 Ų8228%0.28248%0.476SS..Hα-helixtrans-67.9-38.5175.7-50.40000112S167 R168 Q173 A174 P180S167-T171 PolarHBondContact O-N 3.37Å; S167-T171 PolarHBondContact O-OG1 2.86Å; R168-T171 PolarHBondContact O-N 3.28Å; T171-Q173 PolarHBondContact O-N 3.24Å; T171-A174 PolarHBondContact O-N 2.88Å; T171-P180 HydrophobicContact CG2-CG 4.44Å
172K55Low51.6Low157 Ų15779.2 Ų79.268%0.68347%0.469SS*.Hα-helixtrans-64.2-25.9178.6-162.6175.5-179-176.90113.1R168 A169R168-K172 PolarHBondContact O-N 3.49Å; A169-K172 PolarHBondContact O-N 3.11Å
173Q51.3Low49.7Very low50 Ų5083.6 Ų83.623%0.23449%0.487CS..Hα-helixtrans-104.4-13.3-179.7-72.5164.5-16.800113.4S47 L76 A169 A170 T171 G175S47-Q173 PolarHBondContact OG-OE1 2.77Å; L76-Q173 VanDerWaalsContact CD2-CD 3.48Å; A169-Q173 PolarHBondContact O-N 2.92Å; A170-Q173 PolarHBondContact O-N 3.19Å; T171-Q173 PolarHBondContact O-N 3.24Å; Q173-G175 PolarHBondContact O-N 3.01Å
174A51.3Low47.8Very low29 Ų2985.2 Ų85.224%0.2450%0.496CS..  trans-80.268.5171.800000109.5N80 A170 T171 G176N80-A174 WeakPolarHBondContact ND2-CA 3.22Å; N80-A174 WeakPolarHBondContact ND2-CB 3.3Å; N80-A174 PolarHBondContact ND2-N 2.78Å; A170-A174 WeakPolarHBondContact O-CB 3.19Å; A170-A174 PolarHBondContact O-N 3.05Å; T171-A174 PolarHBondContact O-N 2.88Å; A174-G176 PolarHBondContact O-N 2.68Å
175G48Very low46.4Very low58 Ų5887.5 Ų87.560%0.59852%0.519SS*.  trans-68.670.6170.400000111.5Q173Q173-G175 PolarHBondContact O-N 3.01Å
176G39.8Very low44.9Very low52 Ų5295.3 Ų95.354%0.53655%0.547SS..SBendtrans-156.2132.5-179.400000113A174 L178 G179A174-G176 PolarHBondContact O-N 2.68Å; G176-L178 PolarHBondContact O-N 3.48Å; G176-G179 PolarHBondContact O-N 3.2Å; G176-G179 VanDerWaalsContact O-N 3.09Å
177F41.2Very low43.8Very low211 Ų211101.6 Ų101.693%0.92557%0.568SS**THydrogen-bonded Turntrans26.3-31.8167.7-158.4-110.5000122.3
178L39.9Very low42.8Very low139 Ų139107.9 Ų107.973%0.72861%0.612SS**THydrogen-bonded Turntrans-125.54178.4-66.8172000113.4M91 G176M91-L178 HydrophobicContact CE-CD1 4.5Å; G176-L178 PolarHBondContact O-N 3.48Å
179G39.4Very low42.1Very low28 Ų28101.6 Ų101.629%0.28960%0.598SS.*SBendtrans-87.4151.5168.800000111.4G176G176-G179 PolarHBondContact O-N 3.2Å; G176-G179 VanDerWaalsContact O-N 3.09Å
180P33.3Very low41.6Very low95 Ų95105.7 Ų105.762%0.61762%0.62SS**PPolyproline II helixtrans-54.2141.3164.324.3-30.5000108.2T171T171-P180 HydrophobicContact CG2-CG 4.44Å
181P30.2Very low41Very low110 Ų110111 Ų11171%0.71465%0.65SS**PPolyproline II helixtrans-52.4140.9-175.620.9-31.7000109.2Q183P181-Q183 PolarHBondContact O-N 3.44Å
182P37.1Very low40.1Very low96 Ų96114.8 Ų114.862%0.62367%0.671SS**PPolyproline II helixtrans-52.6120.1174.821.3-30000107A184P182-A184 PolarHBondContact O-N 3.48Å
183Q35.9Very low39.1Very low188 Ų188112.2 Ų112.288%0.87967%0.67SS**  trans-57.8101.7167.8-95.8175.5-13.500105.3P181 A185P181-Q183 PolarHBondContact O-N 3.44Å; Q183-A185 VanDerWaalsContact C-N 3.25Å; Q183-A185 PolarHBondContact O-N 3.28Å
184A34Very low38.3Very low85 Ų85116.3 Ų116.370%0.70270%0.7SS**  trans-55.4102.416400000104.5P182 K186P182-A184 PolarHBondContact O-N 3.48Å; A184-K186 PolarHBondContact O-N 3.09Å
185A38.5Very low37.4Very low77 Ų77122.6 Ų122.664%0.63673%0.732SS**  trans-56.8100.9162.600000104.1Q183 F187Q183-A185 VanDerWaalsContact C-N 3.25Å; Q183-A185 PolarHBondContact O-N 3.28Å; A185-F187 PolarHBondContact O-N 2.72Å
186K32.9Very low36.6Very low197 Ų197127.5 Ų127.586%0.85774%0.743SS**  trans-60.395.9168.6-74.8-175.6176.2-176.20104.9A184 S188A184-K186 PolarHBondContact O-N 3.09Å; K186-S188 VanDerWaalsContact C-N 3.27Å; K186-S188 PolarHBondContact O-N 2.98Å
187F38.7Very low36.3Very low195 Ų195133.8 Ų133.886%0.85576%0.76SS**  trans-74.896.8150.6-81.8-83.4000104.8A185A185-F187 PolarHBondContact O-N 2.72Å
188S34.3Very low35.8Very low185 Ų185126.8 Ų126.8100%1.29475%0.745SS**  trans-148.40156.7-155.10000108.4K186K186-S188 VanDerWaalsContact C-N 3.27Å; K186-S188 PolarHBondContact O-N 2.98Å

Retrieved 188 of 188 residues in 38.7 ms (Link to these results)

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