A0A087YQZ6_POEFO Loading...

Gap junction protein

One gap junction consists of a cluster of closely packed pairs of transmembrane channels, the connexons, through which materials of low MW diffuse from one cell to a neighboring cell.

AlphaFold DB , UniProt , Accession A0A087YQZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 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
1R69.9Low82.7Confident159 Ų15982 Ų8260%0.642%0.415SS*.  0-65.60-68.7-163.7-178.8-169.40.7114.3L3 L4 T5 Y160 E232R1-L3 PolarHBondContact O-N 2.86Å; R1-L4 WeakPolarHBondContact O-CB 3.36Å; R1-L4 PolarHBondContact O-N 2.94Å; R1-T5 PolarHBondContact O-N 3.45Å; R1-T5 PolarHBondContact O-OG1 3.02Å; R1-Y160 PolarHBondContact NH2-OH 2.9Å; R1-E232 WeakPolarHBondContact CG-OE1 3.4Å; R1-E232 PolarHBondContact N-OE1 3.45Å; R1-E232 PolarHBondContact N-OE2 2.89Å
2I77.1Confident83.5Confident141 Ų14181.3 Ų81.372%0.72341%0.412SS*.Hα-helixtrans-57.9-46.6-178.3-61.4169.8000111.5L4 T5 V6I2-L4 VanDerWaalsContact C-N 3.31Å; I2-L4 PolarHBondContact O-N 2.92Å; I2-T5 PolarHBondContact O-N 2.69Å; I2-V6 HydrophobicContact CG2-CG2 4.18Å; I2-V6 WeakPolarHBondContact O-CG2 3.44Å; I2-V6 PolarHBondContact O-N 2.9Å
3L76.7Confident84.2Confident126 Ų12682.2 Ų82.266%0.6642%0.417SS*.Hα-helixtrans-57.3-41.2177.4-68171.9000113R1 V6 V7R1-L3 PolarHBondContact O-N 2.86Å; L3-V6 PolarHBondContact O-N 2.82Å; L3-V7 WeakPolarHBondContact O-CB 3.36Å; L3-V7 WeakPolarHBondContact O-CG2 3.21Å; L3-V7 PolarHBondContact O-N 2.04Å
4L74.9Confident84.7Confident49 Ų4977.4 Ų77.426%0.25739%0.393SS..Hα-helixtrans-63.3-44.5178.3-170166.8000110.9R1 I2 V7 V8 N229R1-L4 WeakPolarHBondContact O-CB 3.36Å; R1-L4 PolarHBondContact O-N 2.94Å; I2-L4 VanDerWaalsContact C-N 3.31Å; I2-L4 PolarHBondContact O-N 2.92Å; L4-V7 PolarHBondContact O-N 3.19Å; L4-V8 HydrophobicContact CD2-CG2 4.2Å; L4-V8 WeakPolarHBondContact O-CG2 3.35Å; L4-V8 PolarHBondContact O-N 3.43Å; L4-N229 WeakPolarHBondContact CD1-OD1 3.41Å; L4-N229 VanDerWaalsContact CG-OD1 3.24Å; L4-N229 WeakPolarHBondContact CG-OD1 2.99Å
5T83.3Confident85.2Confident81 Ų8173.1 Ų73.150%0.49737%0.372SS..Hα-helixtrans-65.4-44.2177.1-51.40000112R1 I2 V7 V8 I9R1-T5 PolarHBondContact O-N 3.45Å; R1-T5 PolarHBondContact O-OG1 3.02Å; I2-T5 PolarHBondContact O-N 2.69Å; T5-V7 VanDerWaalsContact C-N 3.29Å; T5-V7 PolarHBondContact O-N 2.89Å; T5-V8 PolarHBondContact O-N 3.41Å; T5-I9 HydrophobicContact CG2-CD1 4.04Å; T5-I9 VanDerWaalsContact O-CG1 3.32Å; T5-I9 WeakPolarHBondContact O-CG1 3.48Å; T5-I9 PolarHBondContact O-N 2.92Å
6V87.1Confident85.6Confident82 Ų8271.5 Ų71.550%0.49737%0.373SS..Hα-helixtrans-58.4-44176.9169.80000110.9I2 L3 I9 F10I2-V6 HydrophobicContact CG2-CG2 4.18Å; I2-V6 WeakPolarHBondContact O-CG2 3.44Å; I2-V6 PolarHBondContact O-N 2.9Å; L3-V6 PolarHBondContact O-N 2.82Å; V6-I9 PolarHBondContact O-N 2.79Å; V6-F10 WeakPolarHBondContact O-CB 3.42Å; V6-F10 PolarHBondContact O-N 2.78Å
7V84.9Confident86Confident38 Ų3873.8 Ų73.823%0.2339%0.385CS..Hα-helixtrans-68.4-37.7-178.9168.40000112.5L3 L4 T5 F10 R11 C225L3-V7 WeakPolarHBondContact O-CB 3.36Å; L3-V7 WeakPolarHBondContact O-CG2 3.21Å; L3-V7 PolarHBondContact O-N 2.04Å; L4-V7 PolarHBondContact O-N 3.19Å; T5-V7 VanDerWaalsContact C-N 3.29Å; T5-V7 PolarHBondContact O-N 2.89Å; V7-F10 PolarHBondContact O-N 3.36Å; V7-R11 WeakPolarHBondContact O-CG 3.09Å; V7-R11 PolarHBondContact O-N 3.24Å; V7-C225 HydrophobicContact CG1-CB 4.2Å; V7-C225 WeakPolarHBondContact CG1-SG 3.39Å
8V85.6Confident86.2Confident32 Ų3272.4 Ų72.419%0.19438%0.38CS..Hα-helixtrans-64.6-43.7173.5171.20000111L4 T5 R11 I12L4-V8 HydrophobicContact CD2-CG2 4.2Å; L4-V8 WeakPolarHBondContact O-CG2 3.35Å; L4-V8 PolarHBondContact O-N 3.43Å; T5-V8 PolarHBondContact O-N 3.41Å; V8-R11 PolarHBondContact O-N 2.79Å; V8-I12 HydrophobicContact CG1-CD1 4.05Å; V8-I12 WeakPolarHBondContact O-CG1 3.37Å; V8-I12 PolarHBondContact O-N 2.95Å
9I90.4Very high86.3Confident88 Ų8868.7 Ų68.745%0.45136%0.361SS..Hα-helixtrans-61.5-47.2176.5-67.2166.2000110.2T5 V6 R11 I12 L13T5-I9 HydrophobicContact CG2-CD1 4.04Å; T5-I9 VanDerWaalsContact O-CG1 3.32Å; T5-I9 WeakPolarHBondContact O-CG1 3.48Å; T5-I9 PolarHBondContact O-N 2.92Å; V6-I9 PolarHBondContact O-N 2.79Å; I9-R11 VanDerWaalsContact C-N 3.31Å; I9-R11 PolarHBondContact O-N 3.35Å; I9-I12 PolarHBondContact O-N 2.93Å; I9-I12 VanDerWaalsContact O-N 3.13Å; I9-L13 HydrophobicContact CG2-CD1 3.98Å; I9-L13 HydrophobicContact CG2-CG 4.29Å; I9-L13 WeakPolarHBondContact O-CG 3.48Å; I9-L13 PolarHBondContact O-N 2.98Å
10F90.4Very high86.3Confident92 Ų9272.3 Ų72.340%0.40438%0.376SS..Hα-helixtrans-56.6-44.6177.1179.3-115000112V6 V7 L13 I14 F217 V221V6-F10 WeakPolarHBondContact O-CB 3.42Å; V6-F10 PolarHBondContact O-N 2.78Å; V7-F10 PolarHBondContact O-N 3.36Å; F10-L13 PolarHBondContact O-N 3.29Å; F10-I14 HydrophobicContact CD1-CD1 3.55Å; F10-I14 HydrophobicContact CD2-CD1 3.9Å; F10-I14 HydrophobicContact CD2-CG1 4.3Å; F10-I14 HydrophobicContact CE1-CD1 3.16Å; F10-I14 HydrophobicContact CE1-CG1 4.42Å; F10-I14 HydrophobicContact CE2-CD1 3.54Å; F10-I14 HydrophobicContact CE2-CG1 4.03Å; F10-I14 HydrophobicContact CG-CD1 3.92Å; F10-I14 HydrophobicContact CZ-CD1 3.18Å; F10-I14 HydrophobicContact CZ-CG1 4.12Å; F10-I14 VanDerWaalsContact O-CG1 3.32Å; F10-I14 WeakPolarHBondContact O-CG1 3.18Å; F10-I14 PolarHBondContact O-N 3.28Å; F10-F217 HydrophobicContact CE1-CZ 4.07Å; F10-F217 HydrophobicContact CZ-CZ 4.01Å; F10-V221 HydrophobicContact CD1-CG1 4.45Å; F10-V221 HydrophobicContact CE1-CG2 4.34Å
11R89.7Confident86.5Confident14 Ų1473 Ų735%0.05338%0.383CS..Hα-helixtrans-59.3-47.5173.8-77.7-152.3-163.5169.420.6112.4V7 V8 I9 L13 I14 V15 E171 V221 S222 C225V7-R11 WeakPolarHBondContact O-CG 3.09Å; V7-R11 PolarHBondContact O-N 3.24Å; V8-R11 PolarHBondContact O-N 2.79Å; I9-R11 VanDerWaalsContact C-N 3.31Å; I9-R11 PolarHBondContact O-N 3.35Å; R11-L13 VanDerWaalsContact C-N 3.3Å; R11-L13 PolarHBondContact O-N 3.37Å; R11-I14 PolarHBondContact O-N 2.59Å; R11-V15 VanDerWaalsContact O-CG2 3.28Å; R11-V15 WeakPolarHBondContact O-CG2 3.39Å; R11-V15 PolarHBondContact O-N 2.93Å; R11-E171 IonicContact CZ-OE2 3.58Å; R11-E171 IonicContact NH1-OE2 3.58Å; R11-E171 IonicContact NH2-OE2 2.89Å; R11-E171 PolarHBondContact NH2-OE2 3.49Å; R11-V221 HydrophobicContact CG-CG1 4.24Å; R11-S222 PolarHBondContact NE-OG 3.46Å; R11-S222 PolarHBondContact NH1-OG 2.92Å; R11-S222 VanDerWaalsContact NH1-OG 3.12Å; R11-S222 VanDerWaalsContact NH2-CB 3.26Å; R11-S222 PolarHBondContact NH2-OG 3.39Å; R11-C225 PolarHBondContact NH2-SG 3.35Å; R11-C225 VanDerWaalsContact NH2-SG 3.41Å
12I92.1Very high87.6Confident74 Ų7466 Ų6638%0.37936%0.359SS..Hα-helixtrans-57.4-46.4178.2-67.4164.7000110.6V8 I9 I14 V15 A16 I60V8-I12 HydrophobicContact CG1-CD1 4.05Å; V8-I12 WeakPolarHBondContact O-CG1 3.37Å; V8-I12 PolarHBondContact O-N 2.95Å; I9-I12 PolarHBondContact O-N 2.93Å; I9-I12 VanDerWaalsContact O-N 3.13Å; I12-I14 PolarHBondContact O-N 3.44Å; I12-V15 PolarHBondContact O-N 3.32Å; I12-A16 WeakPolarHBondContact O-CB 3.36Å; I12-A16 PolarHBondContact O-N 2.89Å; I12-I60 HydrophobicContact CD1-CG2 4.32Å; I12-I60 HydrophobicContact CG1-CD1 4.2Å; I12-I60 HydrophobicContact CG1-CG2 3.88Å
13L92.6Very high88.3Confident92 Ų9259.9 Ų59.948%0.48233%0.326SS..Hα-helixtrans-61.7-45.3-179.7-70.4174.6000112.1I9 F10 R11 A16 I17I9-L13 HydrophobicContact CG2-CD1 3.98Å; I9-L13 HydrophobicContact CG2-CG 4.29Å; I9-L13 WeakPolarHBondContact O-CG 3.48Å; I9-L13 PolarHBondContact O-N 2.98Å; F10-L13 PolarHBondContact O-N 3.29Å; R11-L13 VanDerWaalsContact C-N 3.3Å; R11-L13 PolarHBondContact O-N 3.37Å; L13-A16 PolarHBondContact O-N 3.37Å; L13-I17 WeakPolarHBondContact O-CB 3.43Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.4Å; L13-I17 PolarHBondContact O-N 3.32Å
14I91.8Very high88.9Confident16 Ų1661.8 Ų61.88%0.08233%0.332CS..Hα-helixtrans-66.7-42.9179.4-65161.8000111F10 R11 I12 A16 I17 V18 G19 F214 F217 M218F10-I14 HydrophobicContact CD1-CD1 3.55Å; F10-I14 HydrophobicContact CD2-CD1 3.9Å; F10-I14 HydrophobicContact CD2-CG1 4.3Å; F10-I14 HydrophobicContact CE1-CD1 3.16Å; F10-I14 HydrophobicContact CE1-CG1 4.42Å; F10-I14 HydrophobicContact CE2-CD1 3.54Å; F10-I14 HydrophobicContact CE2-CG1 4.03Å; F10-I14 HydrophobicContact CG-CD1 3.92Å; F10-I14 HydrophobicContact CZ-CD1 3.18Å; F10-I14 HydrophobicContact CZ-CG1 4.12Å; F10-I14 VanDerWaalsContact O-CG1 3.32Å; F10-I14 WeakPolarHBondContact O-CG1 3.18Å; F10-I14 PolarHBondContact O-N 3.28Å; R11-I14 PolarHBondContact O-N 2.59Å; I12-I14 PolarHBondContact O-N 3.44Å; I14-A16 VanDerWaalsContact C-N 3.3Å; I14-A16 PolarHBondContact O-N 2.03Å; I14-I17 PolarHBondContact O-N 2.87Å; I14-V18 HydrophobicContact CG2-CB 4.19Å; I14-V18 HydrophobicContact CG2-CG2 4.02Å; I14-V18 WeakPolarHBondContact O-CA 3.07Å; I14-V18 WeakPolarHBondContact O-CB 3.44Å; I14-V18 PolarHBondContact O-N 3.01Å; I14-G19 PolarHBondContact O-N 3.38Å; I14-F214 HydrophobicContact CG2-CE2 3.4Å; I14-F214 HydrophobicContact CG2-CZ 3.84Å; I14-F217 HydrophobicContact CD1-CE1 3.57Å; I14-F217 HydrophobicContact CD1-CZ 3.99Å; I14-F217 HydrophobicContact CG2-CE1 4.29Å; I14-M218 HydrophobicContact CB-CE 3.63Å; I14-M218 HydrophobicContact CG2-CE 3.24Å; I14-M218 HydrophobicContact CG2-SD 4.16Å
15V92.3Very high89.6Confident13 Ų1360.6 Ų60.68%0.07933%0.326CS..Hα-helixtrans-60.2-42.7176.7175.20000111R11 I12 G19 W56 V57 I60 M218R11-V15 VanDerWaalsContact O-CG2 3.28Å; R11-V15 WeakPolarHBondContact O-CG2 3.39Å; R11-V15 PolarHBondContact O-N 2.93Å; I12-V15 PolarHBondContact O-N 3.32Å; V15-G19 WeakPolarHBondContact O-CA 3.41Å; V15-G19 PolarHBondContact O-N 2.94Å; V15-G19 VanDerWaalsContact O-N 3.12Å; V15-W56 HydrophobicContact CG2-CB 4.23Å; V15-W56 HydrophobicContact CG2-CE3 3.93Å; V15-V57 HydrophobicContact CG1-CG2 4.03Å; V15-I60 HydrophobicContact CB-CD1 4.17Å; V15-I60 HydrophobicContact CG1-CD1 4.45Å; V15-I60 HydrophobicContact CG2-CD1 3.79Å; V15-M218 HydrophobicContact CG2-CE 3.52Å
16A91.4Very high89.9Confident47 Ų4757.9 Ų57.939%0.38831%0.307SS..Hα-helixtrans-66.8-49.6179.100000112.1I12 L13 I14 E20I12-A16 WeakPolarHBondContact O-CB 3.36Å; I12-A16 PolarHBondContact O-N 2.89Å; L13-A16 PolarHBondContact O-N 3.37Å; I14-A16 VanDerWaalsContact C-N 3.3Å; I14-A16 PolarHBondContact O-N 2.03Å; A16-E20 VanDerWaalsContact O-CG 3.3Å; A16-E20 WeakPolarHBondContact O-CG 3.35Å
17I91.6Very high90Very high111 Ų11159 Ų5957%0.56931%0.307SS*.Hα-helixtrans-78.6-55.4-172.6-62.4166.9000111.3L13 I14 T21L13-I17 WeakPolarHBondContact O-CB 3.43Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.4Å; L13-I17 PolarHBondContact O-N 3.32Å; I14-I17 PolarHBondContact O-N 2.87Å; I17-T21 WeakPolarHBondContact O-CG2 3.22Å; I17-T21 PolarHBondContact O-OG1 3.27Å
18V90.1Very high90.3Very high48 Ų4862.3 Ų62.329%0.29133%0.327SS..Hα-helixtrans-82.1-30.6-172.6-173.50000110.5I14 T21 V22 F214I14-V18 HydrophobicContact CG2-CB 4.19Å; I14-V18 HydrophobicContact CG2-CG2 4.02Å; I14-V18 WeakPolarHBondContact O-CA 3.07Å; I14-V18 WeakPolarHBondContact O-CB 3.44Å; I14-V18 PolarHBondContact O-N 3.01Å; V18-T21 WeakPolarHBondContact CA-OG1 3.46Å; V18-T21 PolarHBondContact O-N 2.88Å; V18-T21 PolarHBondContact O-OG1 3.47Å; V18-T21 VanDerWaalsContact O-OG1 3.05Å; V18-V22 HydrophobicContact CG1-CG2 3.77Å; V18-V22 WeakPolarHBondContact O-CB 3.46Å; V18-V22 WeakPolarHBondContact O-CG2 3.32Å; V18-V22 PolarHBondContact O-N 3.39Å; V18-F214 HydrophobicContact CB-CD2 4.25Å; V18-F214 HydrophobicContact CB-CE2 3.43Å; V18-F214 VanDerWaalsContact CB-CE2 3.43Å; V18-F214 HydrophobicContact CB-CZ 3.69Å; V18-F214 HydrophobicContact CG1-CD2 3.53Å; V18-F214 HydrophobicContact CG1-CE1 4.47Å; V18-F214 HydrophobicContact CG1-CE2 3.23Å; V18-F214 HydrophobicContact CG1-CG 4.29Å; V18-F214 HydrophobicContact CG1-CZ 3.73Å; V18-F214 HydrophobicContact CG2-CE2 4.23Å
19G88.6Confident90.7Very high2 Ų265.8 Ų65.82%0.02134%0.343CS..Hα-helixtrans-66.7-41-179.900000113.3I14 V15 Y23I14-G19 PolarHBondContact O-N 3.38Å; V15-G19 WeakPolarHBondContact O-CA 3.41Å; V15-G19 PolarHBondContact O-N 2.94Å; V15-G19 VanDerWaalsContact O-N 3.12Å; G19-Y23 WeakPolarHBondContact O-CB 3.49Å; G19-Y23 WeakPolarHBondContact O-CD2 2.99Å; G19-Y23 PolarHBondContact O-N 2.88Å
20E86Confident90.9Very high140 Ų14061.9 Ų61.965%0.65432%0.323SS*.Hα-helixtrans-62-51.9173.9-70.3179.8-179.300110.1A16 V22 E24A16-E20 VanDerWaalsContact O-CG 3.3Å; A16-E20 WeakPolarHBondContact O-CG 3.35Å; E20-V22 PolarHBondContact O-N 3.26Å; E20-E24 WeakPolarHBondContact O-CB 3.46Å; E20-E24 PolarHBondContact O-N 3.41Å
21T90.3Very high91.2Very high87 Ų8762 Ų6253%0.53433%0.327SS..Hα-helixtrans-64.3-34.8-176.155.30000115.4I17 V18I17-T21 WeakPolarHBondContact O-CG2 3.22Å; I17-T21 PolarHBondContact O-OG1 3.27Å; V18-T21 WeakPolarHBondContact CA-OG1 3.46Å; V18-T21 PolarHBondContact O-N 2.88Å; V18-T21 PolarHBondContact O-OG1 3.47Å; V18-T21 VanDerWaalsContact O-OG1 3.05Å
22V91.9Very high91.5Very high14 Ų1461.7 Ų61.79%0.08533%0.326CS..Hα-helixtrans-88.8-24.7-175.1174.90000113.1V18 E20 E210 K211V18-V22 HydrophobicContact CG1-CG2 3.77Å; V18-V22 WeakPolarHBondContact O-CB 3.46Å; V18-V22 WeakPolarHBondContact O-CG2 3.32Å; V18-V22 PolarHBondContact O-N 3.39Å; E20-V22 PolarHBondContact O-N 3.26Å; V22-E210 HydrophobicContact CG1-CB 4.42Å; V22-K211 HydrophobicContact CG1-CG 3.76Å; V22-K211 PolarHBondContact O-NZ 2.92Å; V22-K211 VanDerWaalsContact O-NZ 3.12Å
23Y91.9Very high91.7Very high11 Ų1163.8 Ų63.84%0.04334%0.338CS..Hα-helixtrans-117.8-3-173.8-62.9-98.8000114.3G19 D25 E26 H52 I53 K211 F214G19-Y23 WeakPolarHBondContact O-CB 3.49Å; G19-Y23 WeakPolarHBondContact O-CD2 2.99Å; G19-Y23 PolarHBondContact O-N 2.88Å; Y23-D25 VanDerWaalsContact C-N 3.25Å; Y23-D25 PolarHBondContact O-N 3.35Å; Y23-E26 WeakPolarHBondContact O-CB 2.95Å; Y23-E26 VanDerWaalsContact O-CG 3.25Å; Y23-E26 WeakPolarHBondContact O-CG 3.14Å; Y23-E26 PolarHBondContact O-N 3.35Å; Y23-H52 HydrophobicContact CE1-CB 3.67Å; Y23-H52 AromaticContact CE1-CG 3.97Å; Y23-H52 AromaticContact CE1-ND1 3.66Å; Y23-I53 HydrophobicContact CD1-CG1 4.03Å; Y23-I53 HydrophobicContact CD2-CD1 3.5Å; Y23-I53 VanDerWaalsContact CD2-CD1 3.5Å; Y23-I53 HydrophobicContact CD2-CG1 3.22Å; Y23-I53 HydrophobicContact CE1-CG1 4.48Å; Y23-I53 HydrophobicContact CE2-CD1 3.62Å; Y23-I53 HydrophobicContact CE2-CG1 3.75Å; Y23-I53 HydrophobicContact CG-CD1 4.17Å; Y23-I53 HydrophobicContact CG-CG1 3.37Å; Y23-K211 HydrophobicContact CD1-CD 4.36Å; Y23-K211 HydrophobicContact CE1-CD 3.96Å; Y23-K211 HydrophobicContact CE1-CG 3.92Å; Y23-F214 AromaticContact CE2-CD1 3.58Å; Y23-F214 HydrophobicContact CE2-CD1 3.58Å; Y23-F214 AromaticContact CE2-CE1 3.81Å; Y23-F214 HydrophobicContact CE2-CE1 3.81Å
24E89.1Confident91.8Very high167 Ų16761.5 Ų61.578%0.7833%0.328SS*.THydrogen-bonded Turntrans-57-38.8175.6173.5178-164.200112.6E20E20-E24 WeakPolarHBondContact O-CB 3.46Å; E20-E24 PolarHBondContact O-N 3.41Å
25D90.7Very high91.9Very high23 Ų2369.2 Ų69.212%0.12337%0.369CS..THydrogen-bonded Turntrans-94.710.9-177.968.1-2.9000113.6Y23 Q27 T28 M29 S206 R207Y23-D25 VanDerWaalsContact C-N 3.25Å; Y23-D25 PolarHBondContact O-N 3.35Å; D25-Q27 VanDerWaalsContact C-N 3.29Å; D25-Q27 PolarHBondContact O-N 2.88Å; D25-T28 WeakPolarHBondContact CA-OG1 3.4Å; D25-T28 PolarHBondContact O-N 3.22Å; D25-T28 PolarHBondContact O-OG1 3.28Å; D25-M29 HydrophobicContact CB-CB 4.49Å; D25-M29 HydrophobicContact CB-CG 3.83Å; D25-M29 WeakPolarHBondContact O-CB 3.14Å; D25-M29 PolarHBondContact O-N 2.03Å; D25-S206 PolarHBondContact OD1-OG 2.85Å; D25-R207 IonicContact OD1-NE 3.62Å; D25-R207 IonicContact OD2-CZ 3.85Å; D25-R207 IonicContact OD2-NE 3.95Å; D25-R207 PolarHBondContact OD2-NE 3.36Å; D25-R207 IonicContact OD2-NH2 2.95Å; D25-R207 PolarHBondContact OD2-NH2 3.39Å
26E89.9Confident92.1Very high25 Ų2571.9 Ų71.912%0.11738%0.381CS..THydrogen-bonded Turntrans-60.6-37.7-171.473174.9161.200113.1Y23 F30 Y44 S51Y23-E26 WeakPolarHBondContact O-CB 2.95Å; Y23-E26 VanDerWaalsContact O-CG 3.25Å; Y23-E26 WeakPolarHBondContact O-CG 3.14Å; Y23-E26 PolarHBondContact O-N 3.35Å; E26-F30 WeakPolarHBondContact O-CB 3.39Å; E26-Y44 HydrophobicContact CG-CE2 4.29Å; E26-Y44 WeakPolarHBondContact CG-OH 3.3Å; E26-Y44 PolarHBondContact OE1-OH 2.98Å; E26-Y44 PolarHBondContact OE2-OH 3.35Å; E26-S51 WeakPolarHBondContact OE1-CB 3.49Å; E26-S51 PolarHBondContact OE1-OG 3.24Å; E26-S51 WeakPolarHBondContact OE2-CB 3.33Å
27Q89.5Confident92.3Very high104 Ų10474.4 Ų74.449%0.48639%0.393SS..THydrogen-bonded Turntrans-88.5-33.5-178.6-170.2176.83.700112.2D25 Y44D25-Q27 VanDerWaalsContact C-N 3.29Å; D25-Q27 PolarHBondContact O-N 2.88Å; Q27-Y44 HydrophobicContact CB-CE1 4.43Å; Q27-Y44 HydrophobicContact CB-CE2 4.3Å; Q27-Y44 HydrophobicContact CG-CD1 4.28Å; Q27-Y44 HydrophobicContact CG-CE1 4.25Å; Q27-Y44 HydrophobicContact CG-CG 4.49Å
28T91.1Very high92.5Very high108 Ų10871.1 Ų71.166%0.66339%0.386SS*.THydrogen-bonded Turntrans-76.5-32.5-177.552.80000112.3D25D25-T28 WeakPolarHBondContact CA-OG1 3.4Å; D25-T28 PolarHBondContact O-N 3.22Å; D25-T28 PolarHBondContact O-OG1 3.28Å
29M92.6Very high92.8Very high105 Ų10568.9 Ų68.952%0.51737%0.373SS..SBendtrans-97.67.7179.7-65.3-70.7-173.800113.2D25 I31D25-M29 HydrophobicContact CB-CB 4.49Å; D25-M29 HydrophobicContact CB-CG 3.83Å; D25-M29 WeakPolarHBondContact O-CB 3.14Å; D25-M29 PolarHBondContact O-N 2.03Å; M29-I31 PolarHBondContact O-N 3.02Å
30F95.4Very high93.1Very high7 Ų771.7 Ų71.73%0.03139%0.387CS..  trans-84.8108.1169.7-174.6-93000109.8E26 C32 C43 Y44 A47 F48 C203 V205E26-F30 WeakPolarHBondContact O-CB 3.39Å; F30-C32 VanDerWaalsContact CE1-SG 3.58Å; F30-C43 HydrophobicContact CE1-CB 4.01Å; F30-C43 HydrophobicContact CZ-CB 4.35Å; F30-Y44 HydrophobicContact CB-CD2 3.9Å; F30-Y44 HydrophobicContact CD1-CD2 4.11Å; F30-Y44 HydrophobicContact CD1-CG 4.44Å; F30-Y44 HydrophobicContact CD2-CD2 4.13Å; F30-Y44 AromaticContact CG-CD2 3.79Å; F30-Y44 HydrophobicContact CG-CD2 3.79Å; F30-A47 HydrophobicContact CE2-CB 4.4Å; F30-A47 HydrophobicContact CZ-CB 4.34Å; F30-F48 HydrophobicContact CD2-CE2 4.31Å; F30-F48 HydrophobicContact CE2-CE2 4.11Å; F30-C203 HydrophobicContact CE1-CB 3.71Å; F30-C203 HydrophobicContact CE2-CB 3.91Å; F30-C203 HydrophobicContact CZ-CB 3.31Å; F30-V205 HydrophobicContact CD2-CG2 4.34Å; F30-V205 HydrophobicContact CE2-CG2 4.09Å
31I95.8Very high93.5Very high95 Ų9571.4 Ų71.449%0.48739%0.386SS..EExtended strand (participates in β ladder)trans-121.2124.4-170.7-59.5174.9000109.2M29 C203 Y204M29-I31 PolarHBondContact O-N 3.02Å; I31-C203 CarbonylContact O-C 3.54Å; I31-C203 WeakPolarHBondContact O-CA 3.46Å; I31-Y204 PolarHBondContact N-O 3.16Å; I31-Y204 PolarHBondContact O-N 3.25Å
32C96.8Very high93.8Very high6 Ų668.3 Ų68.34%0.04137%0.369CS..EExtended strand (participates in β ladder)trans-100.2146.2169.8-49.80000111.4F30 T34 N40 V201 E202 C203F30-C32 VanDerWaalsContact CE1-SG 3.58Å; C32-T34 HydrophobicContact CB-CG2 3.96Å; C32-T34 PolarHBondContact O-N 3.5Å; C32-N40 WeakPolarHBondContact CB-OD1 3.37Å; C32-N40 PolarHBondContact N-OD1 3.21Å; C32-V201 HydrophobicContact CB-CG2 4.12Å; C32-E202 CarbonylContact C-O 3.6Å; C32-E202 WeakPolarHBondContact CA-O 3.41Å; C32-C203 HydrophobicContact CB-CB 4.01Å; C32-C203 WeakPolarHBondContact CB-SG 3.09Å; C32-C203 WeakPolarHBondContact SG-CB 3.5Å; C32-C203 CovalentContact SG-SG 2.04Å; C32-C203 PolarHBondContact SG-SG 2.85Å
33N95.9Very high94Very high118 Ų11867.6 Ų67.663%0.63137%0.365SS*.SBendtrans-75.868.9178.3-170.410.7000111.5E202N33-E202 PolarHBondContact N-O 3.38Å
34T95.4Very high94.1Very high45 Ų4568 Ų6828%0.27637%0.367SS..  trans-159.6148.5-177.8-175.30000111.7C32 Q36 C39 V201C32-T34 HydrophobicContact CB-CG2 3.96Å; C32-T34 PolarHBondContact O-N 3.5Å; T34-Q36 VanDerWaalsContact C-N 3.35Å; T34-Q36 WeakPolarHBondContact OG1-CB 3.17Å; T34-Q36 PolarHBondContact OG1-N 2.95Å; T34-C39 HydrophobicContact CG2-CB 3.93Å; T34-V201 HydrophobicContact CG2-CG1 4.27Å
35L94.5Very high94.4Very high178 Ų17865 Ų6593%0.93236%0.356SS*.  trans-93.11.8173-61.2177.4000112.4P37L35-P37 WeakPolarHBondContact O-CD 3.32Å
36Q95.2Very high94.6Very high69 Ų6968 Ų6832%0.32237%0.368SS..  trans-72.2121.1-175.8-174.363.625.300111.1T34 C39 P196T34-Q36 VanDerWaalsContact C-N 3.35Å; T34-Q36 WeakPolarHBondContact OG1-CB 3.17Å; T34-Q36 PolarHBondContact OG1-N 2.95Å; Q36-C39 HydrophobicContact CB-CB 4.05Å; Q36-C39 HydrophobicContact CG-CB 4.25Å; Q36-C39 WeakPolarHBondContact O-CB 3.39Å; Q36-C39 PolarHBondContact O-N 3.12Å; Q36-P196 VanDerWaalsContact CG-O 3.3Å; Q36-P196 WeakPolarHBondContact CG-O 3.31Å
37P96.1Very high94.8Very high100 Ų10067.8 Ų67.865%0.64937%0.37SS*.THydrogen-bonded Turntrans-64.1139.1179.225.8-34.1000111.2L35 C39 P196L35-P37 WeakPolarHBondContact O-CD 3.32Å; P37-C39 PolarHBondContact O-N 3.2Å; P37-P196 WeakPolarHBondContact O-CG 3.36Å
38G95Very high95Very high42 Ų4264.1 Ų64.143%0.43335%0.352SS..THydrogen-bonded Turntrans78.1-11.3179.500000115.6Q41 A42G38-Q41 PolarHBondContact O-N 2.87Å; G38-A42 PolarHBondContact O-N 3.25Å; G38-A42 VanDerWaalsContact O-N 3.08Å
39C96.3Very high95Very high0 Ų063.2 Ų63.20%035%0.349CS..Hα-helixtrans-63.3-45.7179.6177.20000111.7T34 Q36 P37 Q41 A42 C43 C197T34-C39 HydrophobicContact CG2-CB 3.93Å; Q36-C39 HydrophobicContact CB-CB 4.05Å; Q36-C39 HydrophobicContact CG-CB 4.25Å; Q36-C39 WeakPolarHBondContact O-CB 3.39Å; Q36-C39 PolarHBondContact O-N 3.12Å; P37-C39 PolarHBondContact O-N 3.2Å; C39-Q41 VanDerWaalsContact C-N 3.31Å; C39-Q41 PolarHBondContact O-N 3.32Å; C39-A42 PolarHBondContact O-N 3.02Å; C39-C43 WeakPolarHBondContact O-CB 3.44Å; C39-C43 PolarHBondContact O-N 2.95Å; C39-C43 PolarHBondContact O-SG 3.24Å; C39-C43 VanDerWaalsContact O-SG 3.41Å; C39-C197 VanDerWaalsContact CA-SG 3.59Å; C39-C197 HydrophobicContact CB-CB 4.21Å; C39-C197 WeakPolarHBondContact CB-SG 3.18Å; C39-C197 WeakPolarHBondContact SG-CB 3.38Å; C39-C197 CovalentContact SG-SG 2.03Å; C39-C197 PolarHBondContact SG-SG 2.74Å
40N95.2Very high95Very high61 Ų6161.7 Ų61.733%0.32634%0.342SS..Hα-helixtrans-55.3-44.7177.3-66.22.3000112.3C32 Y44C32-N40 WeakPolarHBondContact CB-OD1 3.37Å; C32-N40 PolarHBondContact N-OD1 3.21Å; N40-Y44 VanDerWaalsContact O-CB 3.22Å; N40-Y44 WeakPolarHBondContact O-CB 3.13Å; N40-Y44 PolarHBondContact O-N 3.28Å
41Q94.9Very high94.9Very high135 Ų13561.5 Ų61.563%0.63134%0.341SS*.Hα-helixtrans-69.2-41-178.7-173.3171.5-17.900112G38 C39 D45G38-Q41 PolarHBondContact O-N 2.87Å; C39-Q41 VanDerWaalsContact C-N 3.31Å; C39-Q41 PolarHBondContact O-N 3.32Å; Q41-D45 PolarHBondContact O-N 3.05Å; Q41-D45 VanDerWaalsContact O-N 3.09Å
42A95.7Very high94.7Very high21 Ų2157.1 Ų57.117%0.17432%0.319CS..Hα-helixtrans-66.6-39.5176.800000112.4G38 C39 K46 R194 Y195G38-A42 PolarHBondContact O-N 3.25Å; G38-A42 VanDerWaalsContact O-N 3.08Å; C39-A42 PolarHBondContact O-N 3.02Å; A42-K46 PolarHBondContact O-N 2.86Å; A42-K46 VanDerWaalsContact O-N 3.09Å; A42-R194 HydrophobicContact CB-CG 4.13Å; A42-Y195 WeakPolarHBondContact CB-O 3.44Å
43C96.7Very high94.5Very high0 Ų058.2 Ų58.20%032%0.324CS..Hα-helixtrans-71-38.2176.7-71.20000112.5F30 C39 K46 A47 C192 C197F30-C43 HydrophobicContact CE1-CB 4.01Å; F30-C43 HydrophobicContact CZ-CB 4.35Å; C39-C43 WeakPolarHBondContact O-CB 3.44Å; C39-C43 PolarHBondContact O-N 2.95Å; C39-C43 PolarHBondContact O-SG 3.24Å; C39-C43 VanDerWaalsContact O-SG 3.41Å; C43-K46 PolarHBondContact O-N 3.35Å; C43-A47 VanDerWaalsContact O-CB 3.32Å; C43-A47 WeakPolarHBondContact O-CB 3.5Å; C43-A47 PolarHBondContact O-N 3.24Å; C43-C192 WeakPolarHBondContact CA-SG 3.16Å; C43-C192 HydrophobicContact CB-CB 3.7Å; C43-C192 WeakPolarHBondContact CB-SG 3.43Å; C43-C192 WeakPolarHBondContact SG-CB 3.36Å; C43-C192 CovalentContact SG-SG 2.03Å; C43-C192 PolarHBondContact SG-SG 2.93Å; C43-C197 PolarHBondContact SG-SG 3.32Å
44Y95.3Very high94.4Very high20 Ų2059.2 Ų59.28%0.07832%0.319CS..Hα-helixtrans-59.2-47.1173.3177.1-93.4000111.4E26 Q27 F30 N40 K46 A47 F48E26-Y44 HydrophobicContact CG-CE2 4.29Å; E26-Y44 WeakPolarHBondContact CG-OH 3.3Å; E26-Y44 PolarHBondContact OE1-OH 2.98Å; E26-Y44 PolarHBondContact OE2-OH 3.35Å; Q27-Y44 HydrophobicContact CB-CE1 4.43Å; Q27-Y44 HydrophobicContact CB-CE2 4.3Å; Q27-Y44 HydrophobicContact CG-CD1 4.28Å; Q27-Y44 HydrophobicContact CG-CE1 4.25Å; Q27-Y44 HydrophobicContact CG-CG 4.49Å; F30-Y44 HydrophobicContact CB-CD2 3.9Å; F30-Y44 HydrophobicContact CD1-CD2 4.11Å; F30-Y44 HydrophobicContact CD1-CG 4.44Å; F30-Y44 HydrophobicContact CD2-CD2 4.13Å; F30-Y44 AromaticContact CG-CD2 3.79Å; F30-Y44 HydrophobicContact CG-CD2 3.79Å; N40-Y44 VanDerWaalsContact O-CB 3.22Å; N40-Y44 WeakPolarHBondContact O-CB 3.13Å; N40-Y44 PolarHBondContact O-N 3.28Å; Y44-K46 VanDerWaalsContact C-N 3.3Å; Y44-K46 PolarHBondContact O-N 3.48Å; Y44-A47 PolarHBondContact O-N 2.96Å; Y44-F48 HydrophobicContact CD2-CD2 4.17Å; Y44-F48 HydrophobicContact CE2-CD2 4.03Å; Y44-F48 PolarHBondContact O-N 3.26Å
45D94.9Very high94.3Very high103 Ų10358 Ų5855%0.55131%0.309SS*.Hα-helixtrans-63.3-35177.2-170.267.5000112.4Q41 P49Q41-D45 PolarHBondContact O-N 3.05Å; Q41-D45 VanDerWaalsContact O-N 3.09Å; D45-P49 WeakPolarHBondContact O-CA 3.29Å
46K94.9Very high94.3Very high86 Ų8649.7 Ų49.737%0.37427%0.266SS..Hα-helixtrans-69.7-42.9173.6-171-174.5-179.9-164.90112.4A42 C43 Y44 F190 D193 R194A42-K46 PolarHBondContact O-N 2.86Å; A42-K46 VanDerWaalsContact O-N 3.09Å; C43-K46 PolarHBondContact O-N 3.35Å; Y44-K46 VanDerWaalsContact C-N 3.3Å; Y44-K46 PolarHBondContact O-N 3.48Å; K46-F190 HydrophobicContact CD-CZ 4.42Å; K46-F190 HydrophobicContact CG-CZ 4.33Å; K46-D193 IonicContact NZ-OD1 3.57Å; K46-D193 PolarHBondContact NZ-OD1 2.9Å; K46-R194 HydrophobicContact CD-CB 4.03Å; K46-R194 HydrophobicContact CD-CG 4.46Å
47A93.6Very high94.3Very high20 Ų2049.3 Ų49.317%0.16527%0.268CS..Hα-helixtrans-70.3-41.2-177.800000111.9F30 C43 Y44 F190F30-A47 HydrophobicContact CE2-CB 4.4Å; F30-A47 HydrophobicContact CZ-CB 4.34Å; C43-A47 VanDerWaalsContact O-CB 3.32Å; C43-A47 WeakPolarHBondContact O-CB 3.5Å; C43-A47 PolarHBondContact O-N 3.24Å; Y44-A47 PolarHBondContact O-N 2.96Å; A47-F190 HydrophobicContact CB-CD1 3.7Å; A47-F190 HydrophobicContact CB-CD2 3.98Å; A47-F190 HydrophobicContact CB-CE1 3.65Å; A47-F190 HydrophobicContact CB-CE2 3.94Å; A47-F190 HydrophobicContact CB-CG 3.86Å; A47-F190 HydrophobicContact CB-CZ 3.77Å
48F93.3Very high94.2Very high27 Ų2750 Ų5012%0.11826%0.26CS..  trans-132.370.7-174.3-55.4-69.1000110.7F30 Y44 I50 V186 V205F30-F48 HydrophobicContact CD2-CE2 4.31Å; F30-F48 HydrophobicContact CE2-CE2 4.11Å; Y44-F48 HydrophobicContact CD2-CD2 4.17Å; Y44-F48 HydrophobicContact CE2-CD2 4.03Å; Y44-F48 PolarHBondContact O-N 3.26Å; F48-I50 PolarHBondContact O-N 2.83Å; F48-I50 VanDerWaalsContact O-N 3.1Å; F48-V186 HydrophobicContact CE1-CG1 4.33Å; F48-V186 HydrophobicContact CZ-CG1 4.25Å; F48-V205 HydrophobicContact CE2-CG1 4.18Å; F48-V205 HydrophobicContact CE2-CG2 4.09Å; F48-V205 HydrophobicContact CZ-CG1 3.87Å; F48-V205 HydrophobicContact CZ-CG2 3.96Å
49P91.9Very high94.2Very high90 Ų9048.2 Ų48.258%0.58424%0.241SC*.SBendtrans-58.1-30.3-179.223.3-34.3000112.3D45D45-P49 WeakPolarHBondContact O-CA 3.29Å
50I92.8Very high94Very high72 Ų7249.7 Ų49.737%0.36925%0.249SC..SBendtrans-133.1122.8166.8-61.1174.2000106.8F48 R54 Y182F48-I50 PolarHBondContact O-N 2.83Å; F48-I50 VanDerWaalsContact O-N 3.1Å; I50-R54 HydrophobicContact CG2-CB 4.11Å; I50-Y182 VanDerWaalsContact O-CE1 3.31Å; I50-Y182 WeakPolarHBondContact O-CE1 3.36Å; I50-Y182 PolarHBondContact O-OH 3.3Å
51S92.5Very high94Very high3 Ų351 Ų512%0.02125%0.254CS..  trans-68.3150.8173.664.90000111.9E26 I53 R54 Y55E26-S51 WeakPolarHBondContact OE1-CB 3.49Å; E26-S51 PolarHBondContact OE1-OG 3.24Å; E26-S51 WeakPolarHBondContact OE2-CB 3.33Å; S51-I53 VanDerWaalsContact C-N 3.29Å; S51-I53 PolarHBondContact O-N 3.3Å; S51-R54 PolarHBondContact O-N 3.34Å; S51-R54 VanDerWaalsContact O-N 3.1Å; S51-R54 WeakPolarHBondContact OG-CG 3.42Å; S51-Y55 PolarHBondContact O-N 2.88Å
52H92.4Very high94Very high4 Ų448.4 Ų48.42%0.01925%0.245CC..Hα-helixtrans-56.2-42-174.8-59.990.7000112.3Y23 R54 Y55 W56 Y182Y23-H52 HydrophobicContact CE1-CB 3.67Å; Y23-H52 AromaticContact CE1-CG 3.97Å; Y23-H52 AromaticContact CE1-ND1 3.66Å; H52-R54 PolarHBondContact O-N 3.26Å; H52-Y55 WeakPolarHBondContact O-CB 3.22Å; H52-Y55 PolarHBondContact O-N 2.91Å; H52-W56 VanDerWaalsContact O-CG 3.3Å; H52-W56 PolarHBondContact O-N 2.8Å; H52-Y182 AromaticContact CD2-CD1 3.58Å; H52-Y182 AromaticContact CD2-CD2 3.9Å; H52-Y182 AromaticContact CD2-CE1 3.97Å; H52-Y182 AromaticContact CD2-CG 3.53Å; H52-Y182 AromaticContact CE1-CD1 3.99Å; H52-Y182 AromaticContact NE2-CD1 3.27Å; H52-Y182 VanDerWaalsContact NE2-CD1 3.27Å; H52-Y182 WeakPolarHBondContact NE2-CD1 3.47Å; H52-Y182 AromaticContact NE2-CE1 3.97Å; H52-Y182 AromaticContact NE2-CG 3.46Å
53I91.7Very high93.8Very high29 Ų2947.6 Ų47.615%0.14924%0.238CC..Hα-helixtrans-62.3-43.7178.2-66.1-53.3000112Y23 S51 Y55 W56 V57 F214Y23-I53 HydrophobicContact CD1-CG1 4.03Å; Y23-I53 HydrophobicContact CD2-CD1 3.5Å; Y23-I53 VanDerWaalsContact CD2-CD1 3.5Å; Y23-I53 HydrophobicContact CD2-CG1 3.22Å; Y23-I53 HydrophobicContact CE1-CG1 4.48Å; Y23-I53 HydrophobicContact CE2-CD1 3.62Å; Y23-I53 HydrophobicContact CE2-CG1 3.75Å; Y23-I53 HydrophobicContact CG-CD1 4.17Å; Y23-I53 HydrophobicContact CG-CG1 3.37Å; S51-I53 VanDerWaalsContact C-N 3.29Å; S51-I53 PolarHBondContact O-N 3.3Å; I53-Y55 VanDerWaalsContact C-N 3.31Å; I53-Y55 PolarHBondContact O-N 3.29Å; I53-W56 PolarHBondContact O-N 2.91Å; I53-W56 VanDerWaalsContact O-N 3.13Å; I53-V57 HydrophobicContact CG2-CG2 4.3Å; I53-V57 WeakPolarHBondContact O-CG2 3.4Å; I53-V57 PolarHBondContact O-N 2.94Å; I53-F214 HydrophobicContact CD1-CE1 3.86Å
54R93.6Very high93.6Very high139 Ų13949.2 Ų49.253%0.52525%0.249SC..Hα-helixtrans-61.7-42.4177-66.5-176.4-168.5160.96.4111I50 S51 H52 W56 V57 F58I50-R54 HydrophobicContact CG2-CB 4.11Å; S51-R54 PolarHBondContact O-N 3.34Å; S51-R54 VanDerWaalsContact O-N 3.1Å; S51-R54 WeakPolarHBondContact OG-CG 3.42Å; H52-R54 PolarHBondContact O-N 3.26Å; R54-W56 VanDerWaalsContact C-N 3.27Å; R54-W56 PolarHBondContact O-N 2.65Å; R54-V57 PolarHBondContact O-N 3.4Å; R54-F58 HydrophobicContact CB-CE2 4.3Å; R54-F58 WeakPolarHBondContact O-CD2 3.49Å; R54-F58 WeakPolarHBondContact O-CG 3.4Å; R54-F58 PolarHBondContact O-N 3.1Å
55Y94.9Very high93.5Very high18 Ų1851.2 Ų51.27%0.07126%0.263CS..Hα-helixtrans-55.6-44.7174.4-174.5-86.6000111.9S51 H52 I53 F58 Q59 F174 G177 Q178 L181 Y182S51-Y55 PolarHBondContact O-N 2.88Å; H52-Y55 WeakPolarHBondContact O-CB 3.22Å; H52-Y55 PolarHBondContact O-N 2.91Å; I53-Y55 VanDerWaalsContact C-N 3.31Å; I53-Y55 PolarHBondContact O-N 3.29Å; Y55-F58 PolarHBondContact O-N 3.32Å; Y55-Q59 WeakPolarHBondContact O-CB 3.28Å; Y55-Q59 PolarHBondContact O-N 3.4Å; Y55-F174 HydrophobicContact CD1-CD1 4.39Å; Y55-F174 HydrophobicContact CE1-CB 4.38Å; Y55-F174 AromaticContact CE1-CD1 3.75Å; Y55-F174 HydrophobicContact CE1-CD1 3.75Å; Y55-F174 HydrophobicContact CE2-CD1 4.13Å; Y55-F174 HydrophobicContact CE2-CE1 4.49Å; Y55-F174 AromaticContact CZ-CD1 3.59Å; Y55-F174 VanDerWaalsContact OH-C 3.31Å; Y55-F174 VanDerWaalsContact OH-CA 3.3Å; Y55-F174 WeakPolarHBondContact OH-CA 3.35Å; Y55-F174 PolarHBondContact OH-O 3.25Å; Y55-G177 WeakPolarHBondContact OH-CA 3.24Å; Y55-Q178 HydrophobicContact CE1-CB 3.88Å; Y55-Q178 PolarHBondContact OH-N 3.4Å; Y55-L181 HydrophobicContact CD2-CD1 4.29Å; Y55-L181 HydrophobicContact CE2-CD1 3.8Å; Y55-Y182 HydrophobicContact CD1-CE2 4.32Å; Y55-Y182 AromaticContact CD2-CE2 3.74Å; Y55-Y182 HydrophobicContact CD2-CE2 3.74Å; Y55-Y182 HydrophobicContact CE2-CE2 4.24Å; Y55-Y182 AromaticContact CG-CE2 3.77Å; Y55-Y182 HydrophobicContact CG-CE2 3.77Å
56W94.6Very high93.4Very high5 Ų546.9 Ų46.92%0.01924%0.241CC..Hα-helixtrans-73.6-35.8-175.3-67.724000111.8V15 H52 I53 R54 Q59 I60 F214 M218V15-W56 HydrophobicContact CG2-CB 4.23Å; V15-W56 HydrophobicContact CG2-CE3 3.93Å; H52-W56 VanDerWaalsContact O-CG 3.3Å; H52-W56 PolarHBondContact O-N 2.8Å; I53-W56 PolarHBondContact O-N 2.91Å; I53-W56 VanDerWaalsContact O-N 3.13Å; R54-W56 VanDerWaalsContact C-N 3.27Å; R54-W56 PolarHBondContact O-N 2.65Å; W56-Q59 WeakPolarHBondContact O-CB 3.44Å; W56-Q59 PolarHBondContact O-N 3.09Å; W56-I60 VanDerWaalsContact O-CG1 3.3Å; W56-I60 WeakPolarHBondContact O-CG1 3.27Å; W56-I60 PolarHBondContact O-N 3.16Å; W56-F214 AromaticContact CE3-CE1 3.97Å; W56-F214 HydrophobicContact CE3-CE1 3.97Å; W56-F214 HydrophobicContact CE3-CZ 4.38Å; W56-F214 AromaticContact CH2-CD1 3.44Å; W56-F214 HydrophobicContact CH2-CD1 3.44Å; W56-F214 VanDerWaalsContact CH2-CD1 3.44Å; W56-F214 AromaticContact CH2-CE1 3.57Å; W56-F214 HydrophobicContact CH2-CE1 3.57Å; W56-F214 HydrophobicContact CH2-CG 4.12Å; W56-F214 HydrophobicContact CH2-CZ 4.25Å; W56-F214 WeakPolarHBondContact CH2-O 3.29Å; W56-F214 AromaticContact CZ3-CD1 3.49Å; W56-F214 HydrophobicContact CZ3-CD1 3.49Å; W56-F214 VanDerWaalsContact CZ3-CD1 3.49Å; W56-F214 AromaticContact CZ3-CE1 3.06Å; W56-F214 HydrophobicContact CZ3-CE1 3.06Å; W56-F214 HydrophobicContact CZ3-CE2 4.24Å; W56-F214 HydrophobicContact CZ3-CG 4.31Å; W56-F214 AromaticContact CZ3-CZ 3.5Å; W56-F214 HydrophobicContact CZ3-CZ 3.5Å; W56-F214 VanDerWaalsContact CZ3-CZ 3.5Å; W56-M218 HydrophobicContact CE3-CB 4.15Å; W56-M218 HydrophobicContact CE3-CE 3.55Å; W56-M218 HydrophobicContact CE3-CG 4.02Å; W56-M218 HydrophobicContact CE3-SD 4.27Å; W56-M218 HydrophobicContact CH2-CB 3.11Å; W56-M218 HydrophobicContact CH2-CE 4.39Å; W56-M218 HydrophobicContact CH2-CG 3.31Å; W56-M218 HydrophobicContact CZ2-CB 3.53Å; W56-M218 HydrophobicContact CZ2-CG 4.21Å; W56-M218 HydrophobicContact CZ3-CB 3.45Å; W56-M218 VanDerWaalsContact CZ3-CB 3.45Å; W56-M218 HydrophobicContact CZ3-CE 3.31Å; W56-M218 HydrophobicContact CZ3-CG 3.17Å; W56-M218 HydrophobicContact CZ3-SD 3.91Å
57V94Very high93.1Very high60 Ų6044.4 Ų44.436%0.36423%0.234SC..Hα-helixtrans-61.8-48.1170.6171.20000110.4V15 I53 R54 Q59 I60 I61V15-V57 HydrophobicContact CG1-CG2 4.03Å; I53-V57 HydrophobicContact CG2-CG2 4.3Å; I53-V57 WeakPolarHBondContact O-CG2 3.4Å; I53-V57 PolarHBondContact O-N 2.94Å; R54-V57 PolarHBondContact O-N 3.4Å; V57-Q59 VanDerWaalsContact C-N 3.32Å; V57-Q59 PolarHBondContact O-N 3.09Å; V57-I60 PolarHBondContact O-N 3.01Å; V57-I61 HydrophobicContact CG1-CD1 3.77Å; V57-I61 HydrophobicContact CG1-CG1 4.48Å; V57-I61 VanDerWaalsContact O-CG1 3.31Å; V57-I61 WeakPolarHBondContact O-CG1 3.39Å; V57-I61 PolarHBondContact O-N 3.44Å
58F95Very high93Very high114 Ų11448.5 Ų48.550%0.525%0.252SS..Hα-helixtrans-61-40.9176.1-73.5-55000112.4R54 Y55 I61 L62R54-F58 HydrophobicContact CB-CE2 4.3Å; R54-F58 WeakPolarHBondContact O-CD2 3.49Å; R54-F58 WeakPolarHBondContact O-CG 3.4Å; R54-F58 PolarHBondContact O-N 3.1Å; Y55-F58 PolarHBondContact O-N 3.32Å; F58-I61 PolarHBondContact O-N 2.88Å; F58-L62 WeakPolarHBondContact O-CB 3.37Å; F58-L62 WeakPolarHBondContact O-CG 3.36Å; F58-L62 PolarHBondContact O-N 2.87Å
59Q94.4Very high92.9Very high5 Ų550.7 Ų50.72%0.02327%0.271CS..Hα-helixtrans-57-52173.4177.8-175.622.600111.1Y55 W56 V57 I61 L62 V63 F174Y55-Q59 WeakPolarHBondContact O-CB 3.28Å; Y55-Q59 PolarHBondContact O-N 3.4Å; W56-Q59 WeakPolarHBondContact O-CB 3.44Å; W56-Q59 PolarHBondContact O-N 3.09Å; V57-Q59 VanDerWaalsContact C-N 3.32Å; V57-Q59 PolarHBondContact O-N 3.09Å; Q59-I61 VanDerWaalsContact C-N 3.34Å; Q59-I61 PolarHBondContact O-N 3.08Å; Q59-L62 PolarHBondContact O-N 3.39Å; Q59-V63 HydrophobicContact CG-CG2 4.28Å; Q59-V63 WeakPolarHBondContact O-CB 3.48Å; Q59-V63 WeakPolarHBondContact O-CG2 3.15Å; Q59-V63 PolarHBondContact O-N 3.34Å; Q59-F174 HydrophobicContact CB-CB 4.26Å; Q59-F174 HydrophobicContact CB-CD1 3.69Å; Q59-F174 HydrophobicContact CB-CD2 4.15Å; Q59-F174 HydrophobicContact CB-CE1 3.99Å; Q59-F174 HydrophobicContact CB-CE2 4.43Å; Q59-F174 HydrophobicContact CB-CG 3.79Å; Q59-F174 HydrophobicContact CB-CZ 4.34Å; Q59-F174 HydrophobicContact CG-CB 3.69Å; Q59-F174 HydrophobicContact CG-CD1 4.08Å; Q59-F174 HydrophobicContact CG-CD2 3.92Å; Q59-F174 HydrophobicContact CG-CG 3.65Å
60I92.8Very high92.8Very high32 Ų3249.1 Ų49.116%0.16426%0.255CS..Hα-helixtrans-59.2-46.6-179.4-71.6167.1000110.6I12 V15 W56 V57 V63 C64I12-I60 HydrophobicContact CD1-CG2 4.32Å; I12-I60 HydrophobicContact CG1-CD1 4.2Å; I12-I60 HydrophobicContact CG1-CG2 3.88Å; V15-I60 HydrophobicContact CB-CD1 4.17Å; V15-I60 HydrophobicContact CG1-CD1 4.45Å; V15-I60 HydrophobicContact CG2-CD1 3.79Å; W56-I60 VanDerWaalsContact O-CG1 3.3Å; W56-I60 WeakPolarHBondContact O-CG1 3.27Å; W56-I60 PolarHBondContact O-N 3.16Å; V57-I60 PolarHBondContact O-N 3.01Å; I60-V63 PolarHBondContact O-N 3.38Å; I60-C64 VanDerWaalsContact O-CB 3.23Å; I60-C64 WeakPolarHBondContact O-CB 3.31Å; I60-C64 PolarHBondContact O-N 3.05Å; I60-C64 PolarHBondContact O-SG 2.92Å
61I94.1Very high92.6Very high87 Ų8750 Ų5045%0.44626%0.259SS..Hα-helixtrans-59.6-56.7180-68.1167.7000109.6V57 F58 Q59 V63 C64 T65V57-I61 HydrophobicContact CG1-CD1 3.77Å; V57-I61 HydrophobicContact CG1-CG1 4.48Å; V57-I61 VanDerWaalsContact O-CG1 3.31Å; V57-I61 WeakPolarHBondContact O-CG1 3.39Å; V57-I61 PolarHBondContact O-N 3.44Å; F58-I61 PolarHBondContact O-N 2.88Å; Q59-I61 VanDerWaalsContact C-N 3.34Å; Q59-I61 PolarHBondContact O-N 3.08Å; I61-V63 VanDerWaalsContact C-N 3.31Å; I61-V63 PolarHBondContact O-N 3.12Å; I61-C64 PolarHBondContact O-N 3.44Å; I61-C64 VanDerWaalsContact O-N 3.1Å; I61-T65 PolarHBondContact O-N 3.44Å; I61-T65 PolarHBondContact O-OG1 3.49Å
62L95Very high92.4Very high81 Ų8154.4 Ų54.442%0.42429%0.286SS..Hα-helixtrans-64.4-34-175.8-69.1-173.9000112.7F58 Q59 P66 L170 F174F58-L62 WeakPolarHBondContact O-CB 3.37Å; F58-L62 WeakPolarHBondContact O-CG 3.36Å; F58-L62 PolarHBondContact O-N 2.87Å; Q59-L62 PolarHBondContact O-N 3.39Å; L62-P66 WeakPolarHBondContact O-CD 3.28Å; L62-L170 HydrophobicContact CB-CD1 4.31Å; L62-L170 WeakPolarHBondContact O-CD1 3.3Å; L62-F174 HydrophobicContact CB-CE2 3.85Å; L62-F174 HydrophobicContact CB-CZ 4.19Å; L62-F174 HydrophobicContact CD1-CE2 3.82Å; L62-F174 HydrophobicContact CD1-CZ 3.51Å; L62-F174 HydrophobicContact CG-CE2 4.38Å; L62-F174 HydrophobicContact CG-CZ 4.25Å
63V92.4Very high92.2Very high5 Ų559.1 Ų59.13%0.0330%0.304CS..Hα-helixtrans-72.5-31.9175.81680000112.1Q59 I60 I61 P66 R167 L170 E171Q59-V63 HydrophobicContact CG-CG2 4.28Å; Q59-V63 WeakPolarHBondContact O-CB 3.48Å; Q59-V63 WeakPolarHBondContact O-CG2 3.15Å; Q59-V63 PolarHBondContact O-N 3.34Å; I60-V63 PolarHBondContact O-N 3.38Å; I61-V63 VanDerWaalsContact C-N 3.31Å; I61-V63 PolarHBondContact O-N 3.12Å; V63-P66 WeakPolarHBondContact O-CD 3.4Å; V63-R167 HydrophobicContact CG1-CG 3.95Å; V63-L170 HydrophobicContact CG2-CB 4.16Å; V63-E171 HydrophobicContact CG1-CG 3.85Å; V63-E171 VanDerWaalsContact CG1-OE1 3.29Å; V63-E171 WeakPolarHBondContact CG1-OE1 3.25Å; V63-E171 HydrophobicContact CG2-CG 3.79Å
64C91.6Very high91.9Very high34 Ų3460 Ų6023%0.2331%0.313CS..Hα-helixtrans-77.8-35.8177.8-71.40000112.7I60 I61 P66 S67 L68I60-C64 VanDerWaalsContact O-CB 3.23Å; I60-C64 WeakPolarHBondContact O-CB 3.31Å; I60-C64 PolarHBondContact O-N 3.05Å; I60-C64 PolarHBondContact O-SG 2.92Å; I61-C64 PolarHBondContact O-N 3.44Å; I61-C64 VanDerWaalsContact O-N 3.1Å; C64-P66 VanDerWaalsContact C-CD 3.49Å; C64-S67 WeakPolarHBondContact O-CB 3.47Å; C64-S67 PolarHBondContact O-N 3.35Å; C64-S67 VanDerWaalsContact O-N 3.08Å; C64-L68 PolarHBondContact O-N 3.48Å
65T93.9Very high91.6Very high61 Ų6157.4 Ų57.437%0.37431%0.312SS..Hα-helixtrans-49.7-48.1-175.8-58.90000114.1I61 S67 L68 C69I61-T65 PolarHBondContact O-N 3.44Å; I61-T65 PolarHBondContact O-OG1 3.49Å; T65-S67 VanDerWaalsContact C-N 3.28Å; T65-S67 PolarHBondContact O-N 3.16Å; T65-L68 PolarHBondContact O-N 3.4Å; T65-C69 WeakPolarHBondContact O-CB 3.33Å; T65-C69 PolarHBondContact O-N 2.89Å; T65-C69 PolarHBondContact O-SG 3.46Å
66P92Very high91.2Very high13 Ų1362.3 Ų62.38%0.08434%0.336CS..Hα-helixtrans-62.4-37.1-178.4-22.734.3000112.6L62 V63 C64 F70 Q163 F166 L170L62-P66 WeakPolarHBondContact O-CD 3.28Å; V63-P66 WeakPolarHBondContact O-CD 3.4Å; C64-P66 VanDerWaalsContact C-CD 3.49Å; P66-F70 WeakPolarHBondContact O-CB 3.35Å; P66-F70 PolarHBondContact O-N 2.81Å; P66-Q163 HydrophobicContact CB-CB 4.22Å; P66-Q163 PolarHBondContact O-OE1 3.33Å; P66-F166 HydrophobicContact CB-CD1 4.02Å; P66-F166 HydrophobicContact CG-CD1 3.42Å; P66-F166 VanDerWaalsContact CG-CD1 3.42Å; P66-F166 HydrophobicContact CG-CE1 3.69Å; P66-L170 HydrophobicContact CG-CD1 4.27Å
67S89.6Confident90.7Very high34 Ų3465.1 Ų65.124%0.23835%0.349CS..Hα-helixtrans-68.6-44.2178.7-55.20000110.8C64 T65 F70 I71C64-S67 WeakPolarHBondContact O-CB 3.47Å; C64-S67 PolarHBondContact O-N 3.35Å; C64-S67 VanDerWaalsContact O-N 3.08Å; T65-S67 VanDerWaalsContact C-N 3.28Å; T65-S67 PolarHBondContact O-N 3.16Å; S67-F70 PolarHBondContact O-N 2.81Å; S67-I71 WeakPolarHBondContact O-CB 3.22Å; S67-I71 WeakPolarHBondContact O-CD1 3.16Å; S67-I71 WeakPolarHBondContact O-CG1 3.02Å; S67-I71 PolarHBondContact O-N 3.31Å
68L90.9Very high90.1Very high105 Ų10564.6 Ų64.655%0.5535%0.348SS..Hα-helixtrans-64.1-46.4176.3-66.3176.2000111.3C64 T65 F70 I71 T72C64-L68 PolarHBondContact O-N 3.48Å; T65-L68 PolarHBondContact O-N 3.4Å; L68-F70 VanDerWaalsContact C-N 3.3Å; L68-F70 PolarHBondContact O-N 3.39Å; L68-I71 PolarHBondContact O-N 3.39Å; L68-T72 WeakPolarHBondContact O-CB 3.25Å; L68-T72 PolarHBondContact O-N 3.44Å; L68-T72 PolarHBondContact O-OG1 2.9Å; L68-T72 VanDerWaalsContact O-OG1 3.05Å
69C90.8Very high89.6Confident74 Ų7461.1 Ų61.150%0.534%0.34SS..Hα-helixtrans-57.3-43.2175.6-69.50000111.8T65 Y73T65-C69 WeakPolarHBondContact O-CB 3.33Å; T65-C69 PolarHBondContact O-N 2.89Å; T65-C69 PolarHBondContact O-SG 3.46Å; C69-Y73 WeakPolarHBondContact O-CB 3.32Å; C69-Y73 PolarHBondContact O-N 2.92Å
70F89.4Confident89Confident57 Ų5765.9 Ų65.925%0.2536%0.361CS..Hα-helixtrans-66.8-43.5177.3176.4-101.2000112.6P66 S67 L68 Y73 S74 F159 Y160 Q163P66-F70 WeakPolarHBondContact O-CB 3.35Å; P66-F70 PolarHBondContact O-N 2.81Å; S67-F70 PolarHBondContact O-N 2.81Å; L68-F70 VanDerWaalsContact C-N 3.3Å; L68-F70 PolarHBondContact O-N 3.39Å; F70-Y73 PolarHBondContact O-N 3.18Å; F70-S74 VanDerWaalsContact O-CB 3.29Å; F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 3.44Å; F70-S74 PolarHBondContact O-OG 2.97Å; F70-F159 HydrophobicContact CD2-CB 4.3Å; F70-F159 HydrophobicContact CE2-CB 4.3Å; F70-Y160 AromaticContact CE1-CD2 3.94Å; F70-Y160 HydrophobicContact CE1-CD2 3.94Å; F70-Y160 AromaticContact CZ-CD2 3.94Å; F70-Y160 HydrophobicContact CZ-CD2 3.94Å; F70-Y160 HydrophobicContact CZ-CG 4.34Å; F70-Q163 HydrophobicContact CB-CB 4.35Å; F70-Q163 HydrophobicContact CB-CG 3.91Å; F70-Q163 HydrophobicContact CD2-CG 4.03Å; F70-Q163 HydrophobicContact CG-CG 3.91Å
71I88.4Confident88.2Confident91 Ų9168 Ų6847%0.46737%0.37SS..Hα-helixtrans-60.2-52.7176.5-69.3163.7000109.3S67 L68 Y73 S74 V75S67-I71 WeakPolarHBondContact O-CB 3.22Å; S67-I71 WeakPolarHBondContact O-CD1 3.16Å; S67-I71 WeakPolarHBondContact O-CG1 3.02Å; S67-I71 PolarHBondContact O-N 3.31Å; L68-I71 PolarHBondContact O-N 3.39Å; I71-Y73 VanDerWaalsContact C-N 3.35Å; I71-Y73 PolarHBondContact O-N 2.96Å; I71-S74 PolarHBondContact O-N 2.95Å; I71-S74 VanDerWaalsContact O-N 3.11Å; I71-S74 PolarHBondContact O-OG 2.92Å; I71-V75 HydrophobicContact CG2-CG2 4.29Å; I71-V75 WeakPolarHBondContact O-CG2 3.4Å; I71-V75 PolarHBondContact O-N 3.41Å
72T89.3Confident87.4Confident95 Ų9572.4 Ų72.458%0.58338%0.381SS*.Hα-helixtrans-56.7-47.1177.6-60.30000111.7L68 S74 V75 H76L68-T72 WeakPolarHBondContact O-CB 3.25Å; L68-T72 PolarHBondContact O-N 3.44Å; L68-T72 PolarHBondContact O-OG1 2.9Å; L68-T72 VanDerWaalsContact O-OG1 3.05Å; T72-S74 PolarHBondContact O-N 2.57Å; T72-V75 PolarHBondContact O-N 2.93Å; T72-H76 VanDerWaalsContact O-CB 3.26Å; T72-H76 WeakPolarHBondContact O-CB 3.18Å; T72-H76 PolarHBondContact O-N 3.18Å
73Y87.8Confident86.6Confident103 Ų10373.9 Ų73.940%0.40439%0.389SS..Hα-helixtrans-58.7-46.1175.8173.6-99000111.8C69 F70 I71 Q77 F159C69-Y73 WeakPolarHBondContact O-CB 3.32Å; C69-Y73 PolarHBondContact O-N 2.92Å; F70-Y73 PolarHBondContact O-N 3.18Å; I71-Y73 VanDerWaalsContact C-N 3.35Å; I71-Y73 PolarHBondContact O-N 2.96Å; Y73-Q77 WeakPolarHBondContact O-CB 3.47Å; Y73-Q77 PolarHBondContact O-N 2.97Å; Y73-F159 HydrophobicContact CE1-CD2 4.24Å
74S86.5Confident85.7Confident47 Ų4782.4 Ų82.433%0.32942%0.421SS..Hα-helixtrans-65.6-40.5-17974.80000112.3F70 I71 T72 S78F70-S74 VanDerWaalsContact O-CB 3.29Å; F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 3.44Å; F70-S74 PolarHBondContact O-OG 2.97Å; I71-S74 PolarHBondContact O-N 2.95Å; I71-S74 VanDerWaalsContact O-N 3.11Å; I71-S74 PolarHBondContact O-OG 2.92Å; T72-S74 PolarHBondContact O-N 2.57Å; S74-S78 VanDerWaalsContact O-CB 3.3Å; S74-S78 WeakPolarHBondContact O-CB 3.47Å; S74-S78 PolarHBondContact O-N 3.21Å; S74-S78 PolarHBondContact O-OG 2.89Å
75V87.2Confident84.7Confident84 Ų8488.2 Ų88.251%0.50944%0.438SS..Hα-helixtrans-66.9-50.5177.2171.70000109.8I71 T72 Q77 S78 A79I71-V75 HydrophobicContact CG2-CG2 4.29Å; I71-V75 WeakPolarHBondContact O-CG2 3.4Å; I71-V75 PolarHBondContact O-N 3.41Å; T72-V75 PolarHBondContact O-N 2.93Å; V75-Q77 VanDerWaalsContact C-N 3.32Å; V75-Q77 PolarHBondContact O-N 3.31Å; V75-S78 PolarHBondContact O-N 2.95Å; V75-S78 VanDerWaalsContact O-N 3.08Å; V75-S78 PolarHBondContact O-OG 3.03Å; V75-A79 PolarHBondContact O-N 3.41Å
76H86Confident83.5Confident121 Ų12192.5 Ų92.556%0.5645%0.448SS*.Hα-helixtrans-58.9-43.7177.2178.1-97.5000111.8T72 S78 A79 K80T72-H76 VanDerWaalsContact O-CB 3.26Å; T72-H76 WeakPolarHBondContact O-CB 3.18Å; T72-H76 PolarHBondContact O-N 3.18Å; H76-S78 VanDerWaalsContact C-N 3.3Å; H76-S78 PolarHBondContact O-N 3.45Å; H76-A79 PolarHBondContact O-N 3.23Å; H76-K80 WeakPolarHBondContact O-CB 3.29Å; H76-K80 PolarHBondContact O-N 3.12Å
77Q84.1Confident82.6Confident64 Ų6495.9 Ų95.930%0.29947%0.473SS..Hα-helixtrans-64.5-35.6176.8-176.456.168.300112.1Y73 V75 Q81Y73-Q77 WeakPolarHBondContact O-CB 3.47Å; Y73-Q77 PolarHBondContact O-N 2.97Å; V75-Q77 VanDerWaalsContact C-N 3.32Å; V75-Q77 PolarHBondContact O-N 3.31Å; Q77-Q81 WeakPolarHBondContact O-CG 3.42Å; Q77-Q81 PolarHBondContact O-N 2.71Å
78S80.9Confident82.1Confident49 Ų49101.2 Ų101.234%0.34349%0.492SS..Hα-helixtrans-70.6-39.7176.177.80000112.2S74 V75 H76 Q81 R82S74-S78 VanDerWaalsContact O-CB 3.3Å; S74-S78 WeakPolarHBondContact O-CB 3.47Å; S74-S78 PolarHBondContact O-N 3.21Å; S74-S78 PolarHBondContact O-OG 2.89Å; V75-S78 PolarHBondContact O-N 2.95Å; V75-S78 VanDerWaalsContact O-N 3.08Å; V75-S78 PolarHBondContact O-OG 3.03Å; H76-S78 VanDerWaalsContact C-N 3.3Å; H76-S78 PolarHBondContact O-N 3.45Å; S78-Q81 PolarHBondContact O-N 3.35Å; S78-R82 WeakPolarHBondContact O-CG 3.05Å; S78-R82 PolarHBondContact O-N 3.13Å
79A84Confident81.3Confident41 Ų41100.5 Ų100.534%0.33949%0.488SS..Hα-helixtrans-62.6-50.6174.900000111V75 H76 Q81 R82 D83V75-A79 PolarHBondContact O-N 3.41Å; H76-A79 PolarHBondContact O-N 3.23Å; A79-Q81 PolarHBondContact O-N 3.45Å; A79-Q81 VanDerWaalsContact O-N 3.15Å; A79-R82 WeakPolarHBondContact O-CA 3.12Å; A79-R82 WeakPolarHBondContact O-CB 3.43Å; A79-R82 PolarHBondContact O-N 2.89Å; A79-D83 PolarHBondContact O-N 3.34Å
80K81.3Confident80.1Confident105 Ų105103.7 Ų103.746%0.45749%0.491SS..Hα-helixtrans-58.4-32.1176.1-173.5170-175.2169.50113.4H76 R84H76-K80 WeakPolarHBondContact O-CB 3.29Å; H76-K80 PolarHBondContact O-N 3.12Å; K80-R84 PolarHBondContact O-N 3.06Å
81Q77.9Confident78.8Confident77 Ų77104.8 Ų104.836%0.3650%0.503SS..Hα-helixtrans-74.4-33.6173.9-77.8-171.632.800113Q77 S78 A79 R85Q77-Q81 WeakPolarHBondContact O-CG 3.42Å; Q77-Q81 PolarHBondContact O-N 2.71Å; S78-Q81 PolarHBondContact O-N 3.35Å; A79-Q81 PolarHBondContact O-N 3.45Å; A79-Q81 VanDerWaalsContact O-N 3.15Å; Q81-R85 PolarHBondContact O-N 3.1Å; Q81-R85 VanDerWaalsContact O-N 3.13Å
82R77.1Confident77.8Confident180 Ų180104.6 Ų104.668%0.67950%0.503SS*.Hα-helixtrans-64.7-44.7173.3-74.7178177.6163-0.9110.4S78 A79 R84 R85 Y86S78-R82 WeakPolarHBondContact O-CG 3.05Å; S78-R82 PolarHBondContact O-N 3.13Å; A79-R82 WeakPolarHBondContact O-CA 3.12Å; A79-R82 WeakPolarHBondContact O-CB 3.43Å; A79-R82 PolarHBondContact O-N 2.89Å; R82-R84 PolarHBondContact O-N 3.32Å; R82-R85 CarbonylContact O-C 3.6Å; R82-R85 WeakPolarHBondContact O-CA 3.36Å; R82-R85 WeakPolarHBondContact O-CB 3.4Å; R82-R85 PolarHBondContact O-N 3.32Å; R82-Y86 WeakPolarHBondContact O-CB 3.35Å; R82-Y86 PolarHBondContact O-N 3.26Å
83D77.4Confident76.5Confident111 Ų111105.6 Ų105.659%0.59450%0.502SS*.Hα-helixtrans-60.5-45.2178-65.9-9.3000112.1A79 R85 Y86 S87A79-D83 PolarHBondContact O-N 3.34Å; D83-R85 VanDerWaalsContact C-N 3.28Å; D83-R85 PolarHBondContact O-N 2.92Å; D83-Y86 PolarHBondContact O-N 2.87Å; D83-S87 VanDerWaalsContact O-CB 3.3Å; D83-S87 WeakPolarHBondContact O-CB 3.37Å; D83-S87 PolarHBondContact O-N 3.38Å
84R72.8Confident75.1Confident185 Ų185107.7 Ų107.770%0.69852%0.515SS*.Hα-helixtrans-61.8-34.9174.4-78-174.6173.8-178.1-2.6113K80 R82 F88K80-R84 PolarHBondContact O-N 3.06Å; R82-R84 PolarHBondContact O-N 3.32Å; R84-F88 WeakPolarHBondContact O-CB 3.42Å; R84-F88 PolarHBondContact O-N 2.99Å
85R72.2Confident73.7Confident156 Ų156113.7 Ų113.759%0.58954%0.536SS*.Hα-helixtrans-71.1-42175.2-107.7-159.2-171.6178.16.6111.7Q81 R82 D83 F88 L89Q81-R85 PolarHBondContact O-N 3.1Å; Q81-R85 VanDerWaalsContact O-N 3.13Å; R82-R85 CarbonylContact O-C 3.6Å; R82-R85 WeakPolarHBondContact O-CA 3.36Å; R82-R85 WeakPolarHBondContact O-CB 3.4Å; R82-R85 PolarHBondContact O-N 3.32Å; D83-R85 VanDerWaalsContact C-N 3.28Å; D83-R85 PolarHBondContact O-N 2.92Å; R85-F88 PolarHBondContact O-N 3.13Å; R85-L89 PolarHBondContact O-N 3.38Å
86Y68.2Low72.2Confident150 Ų150116.3 Ų116.359%0.58855%0.547SS*.Hα-helixtrans-67.2-44.9-179.6-165.5-101.1000111.1R82 D83 F88 L89 Y90R82-Y86 WeakPolarHBondContact O-CB 3.35Å; R82-Y86 PolarHBondContact O-N 3.26Å; D83-Y86 PolarHBondContact O-N 2.87Å; Y86-F88 VanDerWaalsContact C-N 3.26Å; Y86-F88 PolarHBondContact O-N 2.95Å; Y86-L89 PolarHBondContact O-N 3.49Å; Y86-Y90 AromaticContact CD1-CD2 3.94Å; Y86-Y90 HydrophobicContact CD1-CD2 3.94Å; Y86-Y90 HydrophobicContact CD1-CE2 4.29Å; Y86-Y90 AromaticContact CE1-CD2 3.46Å; Y86-Y90 HydrophobicContact CE1-CD2 3.46Å; Y86-Y90 VanDerWaalsContact CE1-CD2 3.46Å; Y86-Y90 AromaticContact CE1-CE2 3.4Å; Y86-Y90 HydrophobicContact CE1-CE2 3.4Å; Y86-Y90 VanDerWaalsContact CE1-CE2 3.4Å; Y86-Y90 AromaticContact CZ-CE2 3.84Å; Y86-Y90 PolarHBondContact O-N 2.94Å
87S73Confident70.7Confident85 Ų85120.9 Ų120.959%0.59456%0.561SS**Hα-helixtrans-61.3-30.6173.2176.90000113.2D83 P91D83-S87 VanDerWaalsContact O-CB 3.3Å; D83-S87 WeakPolarHBondContact O-CB 3.37Å; D83-S87 PolarHBondContact O-N 3.38Å; S87-P91 WeakPolarHBondContact O-CD 3.25Å
88F78.1Confident69.2Low146 Ų146120.9 Ų120.964%0.6458%0.577SS**Hα-helixtrans-75.3-31.6171.8-180-95.4000113.2R84 R85 Y86 P91 I92R84-F88 WeakPolarHBondContact O-CB 3.42Å; R84-F88 PolarHBondContact O-N 2.99Å; R85-F88 PolarHBondContact O-N 3.13Å; Y86-F88 VanDerWaalsContact C-N 3.26Å; Y86-F88 PolarHBondContact O-N 2.95Å; F88-P91 WeakPolarHBondContact O-CD 3.35Å; F88-I92 HydrophobicContact CE1-CD1 4.12Å
89L74.2Confident67.7Low90 Ų90122 Ų12247%0.47160%0.596SS.*Hα-helixtrans-80.3-28.3179.5-131.482.8000112.8R85 Y86 I92 M93R85-L89 PolarHBondContact O-N 3.38Å; Y86-L89 PolarHBondContact O-N 3.49Å; L89-I92 WeakPolarHBondContact O-CB 3.33Å; L89-I92 PolarHBondContact O-N 3.33Å; L89-M93 PolarHBondContact O-N 3.4Å; L89-M93 VanDerWaalsContact O-N 3.1Å
90Y65.5Low66Low141 Ų141131.1 Ų131.155%0.55362%0.622SS**Hα-helixtrans-54.4-46.5-177-135.3-97.1000113.9Y86 I92 M93 E94Y86-Y90 AromaticContact CD1-CD2 3.94Å; Y86-Y90 HydrophobicContact CD1-CD2 3.94Å; Y86-Y90 HydrophobicContact CD1-CE2 4.29Å; Y86-Y90 AromaticContact CE1-CD2 3.46Å; Y86-Y90 HydrophobicContact CE1-CD2 3.46Å; Y86-Y90 VanDerWaalsContact CE1-CD2 3.46Å; Y86-Y90 AromaticContact CE1-CE2 3.4Å; Y86-Y90 HydrophobicContact CE1-CE2 3.4Å; Y86-Y90 VanDerWaalsContact CE1-CE2 3.4Å; Y86-Y90 AromaticContact CZ-CE2 3.84Å; Y86-Y90 PolarHBondContact O-N 2.94Å; Y90-I92 VanDerWaalsContact C-N 3.27Å; Y90-I92 PolarHBondContact O-N 3.02Å; Y90-M93 PolarHBondContact O-N 3.39Å; Y90-E94 PolarHBondContact O-N 2.92Å; Y90-E94 VanDerWaalsContact O-N 3.13Å
91P63.8Low63.9Low79 Ų79133.7 Ų133.751%0.51364%0.641SS.*Hα-helixtrans-68.9-22.2177-16.730000113.9S87 F88S87-P91 WeakPolarHBondContact O-CD 3.25Å; F88-P91 WeakPolarHBondContact O-CD 3.35Å
92I65.6Low62.6Low88 Ų88133.8 Ų133.845%0.45166%0.663SS.*Hα-helixtrans-77.8-42.6178-60.5-178000109.6F88 L89 Y90 K95F88-I92 HydrophobicContact CE1-CD1 4.12Å; L89-I92 WeakPolarHBondContact O-CB 3.33Å; L89-I92 PolarHBondContact O-N 3.33Å; Y90-I92 VanDerWaalsContact C-N 3.27Å; Y90-I92 PolarHBondContact O-N 3.02Å; I92-K95 PolarHBondContact O-N 3.19Å
93M62.8Low60.8Low116 Ų116129.8 Ų129.857%0.57167%0.668SS**Hα-helixtrans-69.1-33.7177.6-68.3-170.267.200113L89 Y90 K95 D96L89-M93 PolarHBondContact O-N 3.4Å; L89-M93 VanDerWaalsContact O-N 3.1Å; Y90-M93 PolarHBondContact O-N 3.39Å; M93-K95 PolarHBondContact O-N 3.5Å; M93-D96 PolarHBondContact O-N 3.24Å
94E59.4Low59.3Low146 Ų146136.7 Ų136.768%0.68269%0.686SS**Hα-helixtrans-65.2-30.3175.5-161.3-176.214800112Y90 G98Y90-E94 PolarHBondContact O-N 2.92Å; Y90-E94 VanDerWaalsContact O-N 3.13Å; E94-G98 PolarHBondContact O-N 2.84Å
95K56.6Low57.6Low174 Ų174137.8 Ų137.876%0.75770%0.695SS**Hα-helixtrans-73.7-25.6-178.6-153.7175.6-176.8179.80113.6I92 M93I92-K95 PolarHBondContact O-N 3.19Å; M93-K95 PolarHBondContact O-N 3.5Å
96D56Low56.1Low139 Ų139137.6 Ų137.674%0.74371%0.706SS**Hα-helixtrans-88.4-18.8179.4-76.7-22.1000113.4M93M93-D96 PolarHBondContact O-N 3.24Å
97Y54.2Low54.7Low217 Ų217140.5 Ų140.585%0.85172%0.715SS**Hα-helixtrans-100-17.1176.9-96.5-95.2000114.4G99Y97-G99 PolarHBondContact O-N 3.35Å
98G52.2Low53Low63 Ų63142.9 Ų142.965%0.64972%0.721SS**  trans-95.833-174.600000116E94 R100E94-G98 PolarHBondContact O-N 2.84Å; G98-R100 PolarHBondContact O-N 2.86Å
99G50.3Low51.3Low72 Ų72141 Ų14174%0.74272%0.717SS**  trans-92.839.1-173.800000116.5Y97Y97-G99 PolarHBondContact O-N 3.35Å
100R47.8Very low49.8Very low234 Ų234143.8 Ų143.888%0.88373%0.732SS**SBendtrans-170.389.4162.3-137.3171179.7168.5-1.7111.1G98G98-R100 PolarHBondContact O-N 2.86Å
101D37.3Very low48.9Very low159 Ų159140.4 Ų140.485%0.8574%0.74SS**  170.3141.6122.9-108.1-37.1000111.7A103D101-A103 PolarHBondContact O-N 3.37Å
102G50.7Low47.6Very low79 Ų79143.9 Ų143.981%0.81475%0.753SS**  trans-66.2119-179.200000112.4
103A39.5Very low46.6Very low96 Ų96147 Ų14779%0.79377%0.77SS**  trans-147.1119.215800000110D101 K105D101-A103 PolarHBondContact O-N 3.37Å; A103-K105 PolarHBondContact O-N 2.88Å
104R45.1Very low45.1Very low256 Ų256147.6 Ų147.697%0.96678%0.779SS**  trans-48119.3-179.6-64.4165.4178.7161-2.1111.6
105K36.8Very low44.1Very low207 Ų207148.9 Ų148.990%0.979%0.786SS**  trans-99101.8163.8-160.1167.2-173.5172.40109.9A103A103-K105 PolarHBondContact O-N 2.88Å
106L40.3Very low42.9Very low153 Ų153149.7 Ų149.780%0.80179%0.792SS**  trans-51.8126.4172.7-170.868.4000110.9
107R39.8Very low41.5Very low211 Ų211146.5 Ų146.580%0.79679%0.792SS**  trans-105.3110.4171.5-153.4175.581.8-178.24.7108.2I109R107-I109 PolarHBondContact O-N 2.82Å
108N37.4Very low40.3Very low135 Ų135139.9 Ų139.972%0.72279%0.789SS**  trans-76.7118.5176.5-171.70.7000109.7
109I42.8Very low39Very low106 Ų106145 Ų14554%0.54480%0.802SS.*  trans-131.3117.3164.1-62.9176.7000106.1R107R107-I109 PolarHBondContact O-N 2.82Å
110N41.2Very low37.9Very low149 Ų149144.9 Ų144.980%0.79780%0.8SS**SBendtrans63.744.2164.6-57.3-7.2000118.2I112N110-I112 PolarHBondContact O-N 3.28Å; N110-I112 VanDerWaalsContact O-N 3.09Å
111G46.7Very low36.8Very low70 Ų70137.7 Ų137.772%0.72280%0.799SS**SBendtrans6721.3141.600000119.3
112I37.3Very low36.2Very low152 Ų152134.4 Ų134.478%0.77980%0.802SS**  trans-128120.4169.4-66.4176000109.3N110 V114N110-I112 PolarHBondContact O-N 3.28Å; N110-I112 VanDerWaalsContact O-N 3.09Å; I112-V114 HydrophobicContact CG2-CG2 4.07Å
113L44.9Very low35Very low154 Ų154134.5 Ų134.581%0.80680%0.803SS**  trans-96.1113.8178-167.681.7000108.5
114V30.3Very low34.2Very low127 Ų127139.4 Ų139.477%0.7781%0.807SS**  trans-128120166.7-179.60000109.3I112I112-V114 HydrophobicContact CG2-CG2 4.07Å
115Q39.2Very low33.1Very low174 Ų174136.1 Ų136.181%0.81380%0.803SS**  trans-107.1120.9175.1-171.3-179.92500107.1
116H30.5Very low32.7Very low191 Ų191134.1 Ų134.188%0.88480%0.796SS**  trans-138.7114.9162.2-115.721.9000110.2
117G28.3Very low32.4Very low72 Ų72132.4 Ų132.474%0.74279%0.794SS**  trans-94.7171.8163.700000110
118G27.8Very low31.5Very low77 Ų77128.5 Ų128.579%0.79479%0.789SS**  trans120.196.2162.900000114.9
119D26Very low30.7Very low172 Ų172126.4 Ų126.492%0.9278%0.784SS**  76.9138.8126.9-139.217.7000123.1
120G27.1Very low29.9Very low69 Ų69128.5 Ų128.571%0.71180%0.795SS**  trans64.2106.4139.700000122.5
121G24.8Very low29Very low83 Ų83129.5 Ų129.586%0.85680%0.796SS**  78.5115.4122.900000121.9
122G24.6Very low28.5Very low89 Ų89131.3 Ų131.392%0.91879%0.792SS**  trans79.8129.7130.500000120.8
123G23.9Very low28.1Very low81 Ų81133.9 Ų133.984%0.83580%0.798SS**  trans132.6133.3152.500000116.8
124K23.6Very low27.2Very low200 Ų200133.3 Ų133.387%0.8779%0.791SS**  trans-70.1162.6178.9-56.6161.8173.6176.70110.3
125E22.7Very low27.5Very low187 Ų187133.5 Ų133.587%0.87479%0.786SS**  -166.8167.155.2-71.3174.9156.200111.2
126E28Very low27.5Very low165 Ų165130.2 Ų130.277%0.77178%0.78SS**  trans-55.7169.8179.5-114.9-148.5108.900116.6D128E126-D128 PolarHBondContact OE1-N 2.83Å; E126-D128 VanDerWaalsContact OE1-N 3.08Å
127P33.2Very low27.4Very low116 Ų116127.5 Ų127.575%0.75377%0.772SS**  -151.6155.254.538.9-16000120.1
128D20.9Very low28.1Very low130 Ų130129 Ų12970%0.69578%0.777SS**  59.7146.2125.2-151.921.8000124.9E126E126-D128 PolarHBondContact OE1-N 2.83Å; E126-D128 VanDerWaalsContact OE1-N 3.08Å
129C21.1Very low28.6Very low91 Ų91129.9 Ų129.962%0.61577%0.769SS**  trans100.799.4150.1-940000122.2
130L25Very low28.9Very low149 Ų149133.8 Ų133.878%0.7877%0.771SS**  67.3104.2117.1-95.6143.7000121.4
131E23.8Very low29Very low171 Ų171133.4 Ų133.480%0.79977%0.767SS**  trans20.4133.4136.3-86.6-167.195.500124.3
132V34.9Very low29.8Very low107 Ų107138.3 Ų138.365%0.64877%0.772SS**  trans70.9114135-175.50000119.9
133K29.4Very low30.3Very low207 Ų207140 Ų14090%0.977%0.765SS**  trans-146.599.2139.8-161.1167-180173.80112.7
134E25.8Very low31Very low142 Ų142144.2 Ų144.266%0.66476%0.763SS**  trans7.6121.1146.7-68-84.7119.300121.4
135I36.5Very low31.7Very low131 Ų131137.2 Ų137.267%0.67275%0.747SS**  37.1153.9129.2-4.9172000119.8
136P39Very low32.3Very low104 Ų104137.3 Ų137.368%0.67575%0.745SS**  cis-154.3166.830.345.7-21.9000123.2
137N29.2Very low32.6Very low134 Ų134134 Ų13472%0.71774%0.74SS**  trans76.192.2147.5-63.2-26.6000119.1P139N137-P139 WeakPolarHBondContact O-CD 3.3Å
138A42.3Very low32.9Very low103 Ų103132 Ų13285%0.85173%0.729SS**  trans-71.6130.7136.900000109.7
139P38.4Very low33.6Very low97 Ų97133.2 Ų133.263%0.6373%0.728SS**  trans-130.4130141.329.8-14.9000112.4N137N137-P139 WeakPolarHBondContact O-CD 3.3Å
140R32.6Very low34.5Very low254 Ų254133.4 Ų133.496%0.95873%0.726SS**  44.4123.7128-55.5177.7-153.6-156.23.3117.8
141G29.4Very low35.3Very low60 Ų60136.3 Ų136.362%0.61973%0.727SS**  trans161.478.3148.400000115.7T143G141-T143 PolarHBondContact O-N 3.5Å
142L41.5Very low36.3Very low186 Ų186134.6 Ų134.697%0.97471%0.713SS**  trans-63.870.2152.3-9183.7000109.8
143T35.3Very low36.7Very low125 Ų125137.6 Ų137.677%0.76772%0.72SS**  trans-151.257.2173.748.80000111.2G141G141-T143 PolarHBondContact O-N 3.5Å
144H38.2Very low37.5Very low170 Ų170134.4 Ų134.479%0.78771%0.708SS**SBendtrans-132.533.9166-153.3-87.2000113.4
145G39Very low38.6Very low53 Ų53130.8 Ų130.855%0.54671%0.709SS.*SBendtrans-117.7-13.8178.600000116
146K34.2Very low39.7Very low188 Ų188130.5 Ų130.582%0.81771%0.708SS**SBendtrans-103.4-26.9-174-76.3-177.6176.11760114.7
147S34.8Very low41Very low97 Ų97128.3 Ų128.368%0.67869%0.694SS**Hα-helixtrans-75.6-32.5-176.5-169.70000113.6K149 R151S147-K149 VanDerWaalsContact C-N 3.35Å; S147-K149 PolarHBondContact O-N 3.01Å; S147-R151 PolarHBondContact O-N 3.35Å
148S39.4Very low43.2Very low74 Ų74131.2 Ų131.252%0.51770%0.696SS.*Hα-helixtrans-78.2-15.4178.6420000114
149K35.6Very low44.9Very low154 Ų154132.3 Ų132.367%0.6768%0.681SS**Hα-helixtrans-83.3-35.4172.7-104.7178.4175.2174.10112.6S147 R152S147-K149 VanDerWaalsContact C-N 3.35Å; S147-K149 PolarHBondContact O-N 3.01Å; K149-R152 WeakPolarHBondContact O-CB 3.27Å; K149-R152 PolarHBondContact O-N 2.84Å
150V40.9Very low47Very low96 Ų96130.3 Ų130.358%0.58266%0.661SS**Hα-helixtrans-68-36.1177.1175.40000111.5R152V150-R152 PolarHBondContact O-N 3.38Å; V150-R152 VanDerWaalsContact O-N 3.11Å
151R40.3Very low49.4Very low210 Ų210122.9 Ų122.979%0.79264%0.64SS**THydrogen-bonded Turntrans-65.5-13.8176.4-143.3175.7-172.7178.31.6114.2S147S147-R151 PolarHBondContact O-N 3.35Å
152R46.2Very low52.1Low135 Ų135125 Ų12551%0.50964%0.636SS.*THydrogen-bonded Turntrans-93.3-14.7-170.7-149.7171.7-175.4157.9-0113.8K149 V150K149-R152 WeakPolarHBondContact O-CB 3.27Å; K149-R152 PolarHBondContact O-N 2.84Å; V150-R152 PolarHBondContact O-N 3.38Å; V150-R152 VanDerWaalsContact O-N 3.11Å
153Q42.8Very low54.3Low169 Ų169117.3 Ų117.379%0.7960%0.595SS**THydrogen-bonded Turntrans-106.8-11.4-179-163.1157.6-2.100113.5G155Q153-G155 VanDerWaalsContact C-N 3.29Å
154E46.6Very low56.8Low141 Ų141113 Ų11366%0.65957%0.569SS**SBendtrans-81.8-7.7172.8-64.7-177.9139.800113.3I156E154-I156 VanDerWaalsContact C-N 3.28Å; E154-I156 PolarHBondContact O-N 3.49Å
155G47.8Very low59.2Low66 Ų66108.5 Ų108.568%0.6855%0.553SS**THydrogen-bonded Turntrans-79.711.9-17500000116.3Q153 S157Q153-G155 VanDerWaalsContact C-N 3.29Å; G155-S157 PolarHBondContact O-N 3.02Å
156I60Low61.7Low125 Ų125111.3 Ų111.364%0.64155%0.55SS**THydrogen-bonded Turntrans-79.12.2174-65.8173.7000111.9E154 Y160E154-I156 VanDerWaalsContact C-N 3.28Å; E154-I156 PolarHBondContact O-N 3.49Å; I156-Y160 WeakPolarHBondContact O-CB 3.39Å
157S66Low64.5Low57 Ų57103.4 Ų103.440%0.39952%0.515SS..SBendtrans-87.9-56-156.162.50000117.6G155 I161G155-S157 PolarHBondContact O-N 3.02Å; S157-I161 VanDerWaalsContact O-CB 3.31Å; S157-I161 WeakPolarHBondContact O-CB 3.34Å; S157-I161 WeakPolarHBondContact O-CD1 3.32Å; S157-I161 WeakPolarHBondContact O-CG1 3.5Å; S157-I161 PolarHBondContact O-N 3.43Å
158R75Confident67.1Low196 Ų19699.6 Ų99.674%0.7449%0.487SS*.Hα-helixtrans-86.3-54.2-160.8-62.7-176.7-175.4179.7-0.3115.1Y160 I161 I162R158-Y160 VanDerWaalsContact C-N 3.29Å; R158-Y160 PolarHBondContact O-N 3.43Å; R158-I161 PolarHBondContact O-N 3.43Å; R158-I161 VanDerWaalsContact O-N 3.12Å; R158-I162 VanDerWaalsContact O-CG1 3.27Å; R158-I162 WeakPolarHBondContact O-CG1 3.43Å; R158-I162 PolarHBondContact O-N 3.36Å
159F79.2Confident69.7Low126 Ų12698.8 Ų98.855%0.55349%0.485SS*.Hα-helixtrans-62.2-38.2-179.4-71.2-74.4000112.1F70 Y73 I162 Q163F70-F159 HydrophobicContact CD2-CB 4.3Å; F70-F159 HydrophobicContact CE2-CB 4.3Å; Y73-F159 HydrophobicContact CE1-CD2 4.24Å; F159-I162 PolarHBondContact O-N 3.18Å; F159-Q163 WeakPolarHBondContact O-CB 3.03Å; F159-Q163 WeakPolarHBondContact O-CG 3.25Å; F159-Q163 PolarHBondContact O-N 3.06Å
160Y82.1Confident72.6Confident54 Ų5493 Ų9321%0.21246%0.461CS..Hα-helixtrans-65.2-38.7173.9177.5-101.7000112.7R1 F70 I156 R158 Q163 V164R1-Y160 PolarHBondContact NH2-OH 2.9Å; F70-Y160 AromaticContact CE1-CD2 3.94Å; F70-Y160 HydrophobicContact CE1-CD2 3.94Å; F70-Y160 AromaticContact CZ-CD2 3.94Å; F70-Y160 HydrophobicContact CZ-CD2 3.94Å; F70-Y160 HydrophobicContact CZ-CG 4.34Å; I156-Y160 WeakPolarHBondContact O-CB 3.39Å; R158-Y160 VanDerWaalsContact C-N 3.29Å; R158-Y160 PolarHBondContact O-N 3.43Å; Y160-Q163 WeakPolarHBondContact O-CG 3.35Å; Y160-V164 HydrophobicContact CD2-CG2 4.28Å; Y160-V164 HydrophobicContact CE1-CG2 4.09Å; Y160-V164 HydrophobicContact CE2-CG2 3.81Å; Y160-V164 WeakPolarHBondContact O-CB 3.37Å; Y160-V164 WeakPolarHBondContact O-CG2 3.15Å; Y160-V164 PolarHBondContact O-N 2.87Å; Y160-V164 VanDerWaalsContact O-N 3.16Å
161I83.6Confident75.1Confident99 Ų9988.7 Ų88.751%0.50844%0.435SS..Hα-helixtrans-68-46.3174.9-71.5169.3000110S157 R158 Q163 V164 V165S157-I161 VanDerWaalsContact O-CB 3.31Å; S157-I161 WeakPolarHBondContact O-CB 3.34Å; S157-I161 WeakPolarHBondContact O-CD1 3.32Å; S157-I161 WeakPolarHBondContact O-CG1 3.5Å; S157-I161 PolarHBondContact O-N 3.43Å; R158-I161 PolarHBondContact O-N 3.43Å; R158-I161 VanDerWaalsContact O-N 3.12Å; I161-Q163 PolarHBondContact O-N 2.87Å; I161-V164 PolarHBondContact O-N 3.41Å; I161-V165 HydrophobicContact CG2-CG2 4.09Å; I161-V165 WeakPolarHBondContact O-CB 3.28Å; I161-V165 VanDerWaalsContact O-CG2 3.28Å; I161-V165 WeakPolarHBondContact O-CG2 3.38Å; I161-V165 PolarHBondContact O-N 3.38Å
162I84.9Confident77.7Confident105 Ų10582.2 Ų82.254%0.53842%0.415SS..Hα-helixtrans-59.3-49.5180-67.3164.9000110.7R158 F159 V164 V165 F166R158-I162 VanDerWaalsContact O-CG1 3.27Å; R158-I162 WeakPolarHBondContact O-CG1 3.43Å; R158-I162 PolarHBondContact O-N 3.36Å; F159-I162 PolarHBondContact O-N 3.18Å; I162-V164 VanDerWaalsContact C-N 3.32Å; I162-V164 PolarHBondContact O-N 3.4Å; I162-V165 PolarHBondContact O-N 2.97Å; I162-F166 VanDerWaalsContact O-CB 3.22Å; I162-F166 WeakPolarHBondContact O-CB 3.3Å; I162-F166 PolarHBondContact O-N 3.4Å
163Q88.8Confident80.1Confident24 Ų2477.8 Ų77.811%0.11241%0.412CS..Hα-helixtrans-64-35.9179.262.3120.437.300112.6P66 F70 F159 Y160 I161 R167P66-Q163 HydrophobicContact CB-CB 4.22Å; P66-Q163 PolarHBondContact O-OE1 3.33Å; F70-Q163 HydrophobicContact CB-CB 4.35Å; F70-Q163 HydrophobicContact CB-CG 3.91Å; F70-Q163 HydrophobicContact CD2-CG 4.03Å; F70-Q163 HydrophobicContact CG-CG 3.91Å; F159-Q163 WeakPolarHBondContact O-CB 3.03Å; F159-Q163 WeakPolarHBondContact O-CG 3.25Å; F159-Q163 PolarHBondContact O-N 3.06Å; Y160-Q163 WeakPolarHBondContact O-CG 3.35Å; I161-Q163 PolarHBondContact O-N 2.87Å; Q163-R167 WeakPolarHBondContact O-CB 3.34Å; Q163-R167 PolarHBondContact O-N 3.17Å
164V87.3Confident82.7Confident35 Ų3571.2 Ų71.221%0.21238%0.38CS..Hα-helixtrans-69.7-44.8176.8170.10000111.4Y160 I161 I162 R167 N168 L233Y160-V164 HydrophobicContact CD2-CG2 4.28Å; Y160-V164 HydrophobicContact CE1-CG2 4.09Å; Y160-V164 HydrophobicContact CE2-CG2 3.81Å; Y160-V164 WeakPolarHBondContact O-CB 3.37Å; Y160-V164 WeakPolarHBondContact O-CG2 3.15Å; Y160-V164 PolarHBondContact O-N 2.87Å; Y160-V164 VanDerWaalsContact O-N 3.16Å; I161-V164 PolarHBondContact O-N 3.41Å; I162-V164 VanDerWaalsContact C-N 3.32Å; I162-V164 PolarHBondContact O-N 3.4Å; V164-R167 PolarHBondContact O-N 3.44Å; V164-N168 WeakPolarHBondContact O-CB 3.23Å; V164-N168 PolarHBondContact O-N 3.07Å; V164-L233 HydrophobicContact CG1-CD1 3.89Å
165V88.4Confident85Confident75 Ų7565.9 Ų65.946%0.45536%0.356SS..Hα-helixtrans-63.3-46.9177.6170.30000110.3I161 I162 N168 A169I161-V165 HydrophobicContact CG2-CG2 4.09Å; I161-V165 WeakPolarHBondContact O-CB 3.28Å; I161-V165 VanDerWaalsContact O-CG2 3.28Å; I161-V165 WeakPolarHBondContact O-CG2 3.38Å; I161-V165 PolarHBondContact O-N 3.38Å; I162-V165 PolarHBondContact O-N 2.97Å; V165-N168 PolarHBondContact O-N 3.4Å; V165-A169 WeakPolarHBondContact O-CB 3.31Å; V165-A169 PolarHBondContact O-N 2.95Å
166F92Very high87.3Confident111 Ų11164.7 Ų64.749%0.48734%0.34SS..Hα-helixtrans-62.7-44.6178-176.7-106.9000111.7P66 I162 N168 A169 L170P66-F166 HydrophobicContact CB-CD1 4.02Å; P66-F166 HydrophobicContact CG-CD1 3.42Å; P66-F166 VanDerWaalsContact CG-CD1 3.42Å; P66-F166 HydrophobicContact CG-CE1 3.69Å; I162-F166 VanDerWaalsContact O-CB 3.22Å; I162-F166 WeakPolarHBondContact O-CB 3.3Å; I162-F166 PolarHBondContact O-N 3.4Å; F166-N168 VanDerWaalsContact C-N 3.32Å; F166-N168 PolarHBondContact O-N 3.31Å; F166-A169 PolarHBondContact O-N 3.36Å; F166-L170 HydrophobicContact CD1-CD1 3.93Å; F166-L170 HydrophobicContact CD1-CG 4.46Å; F166-L170 HydrophobicContact CE1-CD1 3.44Å; F166-L170 VanDerWaalsContact CE1-CD1 3.44Å; F166-L170 HydrophobicContact CE1-CG 4.12Å; F166-L170 HydrophobicContact CE2-CG 4.49Å; F166-L170 HydrophobicContact CZ-CD1 3.84Å; F166-L170 HydrophobicContact CZ-CD2 4.2Å; F166-L170 HydrophobicContact CZ-CG 4.12Å; F166-L170 WeakPolarHBondContact O-CG 3.29Å; F166-L170 PolarHBondContact O-N 2.93Å
167R91.7Very high89Confident22 Ų2259.6 Ų59.68%0.08332%0.319CS..Hα-helixtrans-57.6-44.4173.6-178.1-179.2178.8-72.7-16.9112V63 Q163 V164 L170 E171 N229V63-R167 HydrophobicContact CG1-CG 3.95Å; Q163-R167 WeakPolarHBondContact O-CB 3.34Å; Q163-R167 PolarHBondContact O-N 3.17Å; V164-R167 PolarHBondContact O-N 3.44Å; R167-L170 PolarHBondContact O-N 3.18Å; R167-E171 IonicContact CZ-OE1 3.57Å; R167-E171 IonicContact NH1-OE1 3.81Å; R167-E171 IonicContact NH2-OE1 2.87Å; R167-E171 PolarHBondContact NH2-OE1 2.81Å; R167-E171 WeakPolarHBondContact O-CG 3.19Å; R167-E171 PolarHBondContact O-N 3.02Å; R167-N229 PolarHBondContact NH1-ND2 2.88Å
168N91.2Very high90.4Very high18 Ų1856.9 Ų56.910%0.09630%0.3CS..Hα-helixtrans-67.5-39.6179.3-168.446.7000112V164 V165 F166 L170 E171 I172 L230V164-N168 WeakPolarHBondContact O-CB 3.23Å; V164-N168 PolarHBondContact O-N 3.07Å; V165-N168 PolarHBondContact O-N 3.4Å; F166-N168 VanDerWaalsContact C-N 3.32Å; F166-N168 PolarHBondContact O-N 3.31Å; N168-L170 VanDerWaalsContact C-N 3.33Å; N168-L170 PolarHBondContact O-N 3.22Å; N168-E171 PolarHBondContact O-N 2.92Å; N168-I172 VanDerWaalsContact O-CG1 3.29Å; N168-I172 WeakPolarHBondContact O-CG1 3.42Å; N168-I172 PolarHBondContact O-N 2.94Å; N168-L230 WeakPolarHBondContact ND2-CD2 3.5Å
169A93.9Very high91.4Very high56 Ų5653 Ų5346%0.46329%0.286SS..Hα-helixtrans-62.1-41.2174.800000111.6V165 F166 I172 G173V165-A169 WeakPolarHBondContact O-CB 3.31Å; V165-A169 PolarHBondContact O-N 2.95Å; F166-A169 PolarHBondContact O-N 3.36Å; A169-I172 PolarHBondContact O-N 2.69Å; A169-G173 PolarHBondContact O-N 2.75Å
170L95.1Very high92.2Very high34 Ų3454.7 Ų54.718%0.17829%0.293CS..Hα-helixtrans-63-47.7174-70.9177000111.9L62 V63 P66 F166 R167 N168 I172 G173 F174L62-L170 HydrophobicContact CB-CD1 4.31Å; L62-L170 WeakPolarHBondContact O-CD1 3.3Å; V63-L170 HydrophobicContact CG2-CB 4.16Å; P66-L170 HydrophobicContact CG-CD1 4.27Å; F166-L170 HydrophobicContact CD1-CD1 3.93Å; F166-L170 HydrophobicContact CD1-CG 4.46Å; F166-L170 HydrophobicContact CE1-CD1 3.44Å; F166-L170 VanDerWaalsContact CE1-CD1 3.44Å; F166-L170 HydrophobicContact CE1-CG 4.12Å; F166-L170 HydrophobicContact CE2-CG 4.49Å; F166-L170 HydrophobicContact CZ-CD1 3.84Å; F166-L170 HydrophobicContact CZ-CD2 4.2Å; F166-L170 HydrophobicContact CZ-CG 4.12Å; F166-L170 WeakPolarHBondContact O-CG 3.29Å; F166-L170 PolarHBondContact O-N 2.93Å; R167-L170 PolarHBondContact O-N 3.18Å; N168-L170 VanDerWaalsContact C-N 3.33Å; N168-L170 PolarHBondContact O-N 3.22Å; L170-I172 VanDerWaalsContact C-N 3.32Å; L170-I172 PolarHBondContact O-N 3.48Å; L170-G173 PolarHBondContact O-N 3.09Å; L170-F174 HydrophobicContact CB-CD2 4.49Å; L170-F174 VanDerWaalsContact O-CD2 3.24Å; L170-F174 WeakPolarHBondContact O-CD2 3.38Å; L170-F174 PolarHBondContact O-N 3.31Å
171E93.9Very high92.7Very high5 Ų557.4 Ų57.42%0.02331%0.311CS..Hα-helixtrans-57.9-44177.8-70.6-98.1-150.700112R11 V63 R167 N168 L175 V226R11-E171 IonicContact CZ-OE2 3.58Å; R11-E171 IonicContact NH1-OE2 3.58Å; R11-E171 IonicContact NH2-OE2 2.89Å; R11-E171 PolarHBondContact NH2-OE2 3.49Å; V63-E171 HydrophobicContact CG1-CG 3.85Å; V63-E171 VanDerWaalsContact CG1-OE1 3.29Å; V63-E171 WeakPolarHBondContact CG1-OE1 3.25Å; V63-E171 HydrophobicContact CG2-CG 3.79Å; R167-E171 IonicContact CZ-OE1 3.57Å; R167-E171 IonicContact NH1-OE1 3.81Å; R167-E171 IonicContact NH2-OE1 2.87Å; R167-E171 PolarHBondContact NH2-OE1 2.81Å; R167-E171 WeakPolarHBondContact O-CG 3.19Å; R167-E171 PolarHBondContact O-N 3.02Å; N168-E171 PolarHBondContact O-N 2.92Å; E171-L175 WeakPolarHBondContact O-CB 3.23Å; E171-L175 PolarHBondContact O-N 3.33Å; E171-V226 HydrophobicContact CB-CG2 3.9Å
172I95.6Very high93.1Very high73 Ų7354.2 Ų54.237%0.37429%0.293SS..Hα-helixtrans-65.6-44.5176.2-66164.5000110.8N168 A169 L170 F174 L175 A176 V226N168-I172 VanDerWaalsContact O-CG1 3.29Å; N168-I172 WeakPolarHBondContact O-CG1 3.42Å; N168-I172 PolarHBondContact O-N 2.94Å; A169-I172 PolarHBondContact O-N 2.69Å; L170-I172 VanDerWaalsContact C-N 3.32Å; L170-I172 PolarHBondContact O-N 3.48Å; I172-F174 PolarHBondContact O-N 2.89Å; I172-L175 PolarHBondContact O-N 3.43Å; I172-A176 WeakPolarHBondContact O-CB 3.24Å; I172-A176 PolarHBondContact O-N 2.86Å; I172-V226 HydrophobicContact CD1-CG1 4.43Å; I172-V226 HydrophobicContact CG1-CG1 3.72Å
173G96.9Very high93.5Very high43 Ų4350.3 Ų50.344%0.44328%0.278SS..Hα-helixtrans-60.6-44.8178.700000112.2A169 L170 A176 G177A169-G173 PolarHBondContact O-N 2.75Å; L170-G173 PolarHBondContact O-N 3.09Å; G173-A176 PolarHBondContact O-N 3.26Å; G173-G177 PolarHBondContact O-N 3.39Å
174F96Very high93.7Very high30 Ų3053.9 Ų53.913%0.13229%0.294CS..Hα-helixtrans-68.7-34.5175.3-83-74.4000112.8Y55 Q59 L62 L170 I172 Q178Y55-F174 HydrophobicContact CD1-CD1 4.39Å; Y55-F174 HydrophobicContact CE1-CB 4.38Å; Y55-F174 AromaticContact CE1-CD1 3.75Å; Y55-F174 HydrophobicContact CE1-CD1 3.75Å; Y55-F174 HydrophobicContact CE2-CD1 4.13Å; Y55-F174 HydrophobicContact CE2-CE1 4.49Å; Y55-F174 AromaticContact CZ-CD1 3.59Å; Y55-F174 VanDerWaalsContact OH-C 3.31Å; Y55-F174 VanDerWaalsContact OH-CA 3.3Å; Y55-F174 WeakPolarHBondContact OH-CA 3.35Å; Y55-F174 PolarHBondContact OH-O 3.25Å; Q59-F174 HydrophobicContact CB-CB 4.26Å; Q59-F174 HydrophobicContact CB-CD1 3.69Å; Q59-F174 HydrophobicContact CB-CD2 4.15Å; Q59-F174 HydrophobicContact CB-CE1 3.99Å; Q59-F174 HydrophobicContact CB-CE2 4.43Å; Q59-F174 HydrophobicContact CB-CG 3.79Å; Q59-F174 HydrophobicContact CB-CZ 4.34Å; Q59-F174 HydrophobicContact CG-CB 3.69Å; Q59-F174 HydrophobicContact CG-CD1 4.08Å; Q59-F174 HydrophobicContact CG-CD2 3.92Å; Q59-F174 HydrophobicContact CG-CG 3.65Å; L62-F174 HydrophobicContact CB-CE2 3.85Å; L62-F174 HydrophobicContact CB-CZ 4.19Å; L62-F174 HydrophobicContact CD1-CE2 3.82Å; L62-F174 HydrophobicContact CD1-CZ 3.51Å; L62-F174 HydrophobicContact CG-CE2 4.38Å; L62-F174 HydrophobicContact CG-CZ 4.25Å; L170-F174 HydrophobicContact CB-CD2 4.49Å; L170-F174 VanDerWaalsContact O-CD2 3.24Å; L170-F174 WeakPolarHBondContact O-CD2 3.38Å; L170-F174 PolarHBondContact O-N 3.31Å; I172-F174 PolarHBondContact O-N 2.89Å; F174-Q178 WeakPolarHBondContact O-CB 3.17Å; F174-Q178 PolarHBondContact O-N 3.46Å
175L95.6Very high94.1Very high29 Ų2956 Ų5615%0.15231%0.31CS..Hα-helixtrans-65.7-45.2174.6-17368.5000111.3E171 I172 Q178 Y179 F219 V226E171-L175 WeakPolarHBondContact O-CB 3.23Å; E171-L175 PolarHBondContact O-N 3.33Å; I172-L175 PolarHBondContact O-N 3.43Å; L175-Q178 PolarHBondContact O-N 2.93Å; L175-Y179 PolarHBondContact O-N 2.85Å; L175-F219 HydrophobicContact CD1-CD2 3.54Å; L175-F219 HydrophobicContact CD1-CE1 4.46Å; L175-F219 HydrophobicContact CD1-CE2 3.42Å; L175-F219 VanDerWaalsContact CD1-CE2 3.42Å; L175-F219 HydrophobicContact CD1-CG 4.14Å; L175-F219 HydrophobicContact CD1-CZ 3.92Å; L175-F219 HydrophobicContact CG-CD2 4.47Å; L175-F219 HydrophobicContact CG-CE2 3.87Å; L175-F219 HydrophobicContact CG-CZ 4.19Å; L175-V226 HydrophobicContact CD2-CG2 4.36Å
176A96.5Very high94.3Very high41 Ų4152.8 Ų52.834%0.33929%0.29SS..Hα-helixtrans-64.3-45.8175.500000111.4I172 G173 Q178 Y179 F180I172-A176 WeakPolarHBondContact O-CB 3.24Å; I172-A176 PolarHBondContact O-N 2.86Å; G173-A176 PolarHBondContact O-N 3.26Å; A176-Q178 VanDerWaalsContact C-N 3.29Å; A176-Q178 PolarHBondContact O-N 3.24Å; A176-Y179 WeakPolarHBondContact O-CB 3.43Å; A176-Y179 PolarHBondContact O-N 2.93Å; A176-Y179 VanDerWaalsContact O-N 3.16Å; A176-F180 HydrophobicContact CB-CD2 4.49Å; A176-F180 HydrophobicContact CB-CE2 4.44Å; A176-F180 WeakPolarHBondContact O-CD2 3.01Å; A176-F180 PolarHBondContact O-N 3.49Å
177G95.8Very high94.4Very high19 Ų1950.8 Ų50.820%0.19629%0.289CS..Hα-helixtrans-59.1-38.7177.400000112.6Y55 G173 Y179 F180 L181Y55-G177 WeakPolarHBondContact OH-CA 3.24Å; G173-G177 PolarHBondContact O-N 3.39Å; G177-Y179 VanDerWaalsContact C-N 3.34Å; G177-Y179 PolarHBondContact O-N 2.77Å; G177-F180 PolarHBondContact O-N 2.94Å; G177-L181 VanDerWaalsContact O-CB 3.25Å; G177-L181 WeakPolarHBondContact O-CB 2.95Å; G177-L181 WeakPolarHBondContact O-CG 3.29Å; G177-L181 PolarHBondContact O-N 3.41Å
178Q95.5Very high94.6Very high0 Ų051.3 Ų51.30%030%0.301CS..Hα-helixtrans-63.4-44.3176.7176.8175.8-1800110.7Y55 F174 L175 A176 Y182 G183 L215 F219Y55-Q178 HydrophobicContact CE1-CB 3.88Å; Y55-Q178 PolarHBondContact OH-N 3.4Å; F174-Q178 WeakPolarHBondContact O-CB 3.17Å; F174-Q178 PolarHBondContact O-N 3.46Å; L175-Q178 PolarHBondContact O-N 2.93Å; A176-Q178 VanDerWaalsContact C-N 3.29Å; A176-Q178 PolarHBondContact O-N 3.24Å; Q178-Y182 HydrophobicContact CG-CD2 4.16Å; Q178-Y182 WeakPolarHBondContact O-CB 3.22Å; Q178-Y182 PolarHBondContact O-N 2.94Å; Q178-G183 PolarHBondContact O-N 3.1Å; Q178-L215 PolarHBondContact NE2-O 3.32Å; Q178-F219 HydrophobicContact CG-CD2 4.38Å
179Y95.4Very high94.8Very high113 Ų11354.6 Ų54.644%0.44332%0.317SS..Hα-helixtrans-61.5-44.4177.1174.3-108.4000112.2L175 A176 G177 G183 F184L175-Y179 PolarHBondContact O-N 2.85Å; A176-Y179 WeakPolarHBondContact O-CB 3.43Å; A176-Y179 PolarHBondContact O-N 2.93Å; A176-Y179 VanDerWaalsContact O-N 3.16Å; G177-Y179 VanDerWaalsContact C-N 3.34Å; G177-Y179 PolarHBondContact O-N 2.77Å; Y179-G183 VanDerWaalsContact O-CA 3.28Å; Y179-G183 WeakPolarHBondContact O-CA 3.46Å; Y179-G183 PolarHBondContact O-N 3.32Å; Y179-F184 HydrophobicContact CD2-CD2 4.26Å; Y179-F184 HydrophobicContact CD2-CE1 4.22Å; Y179-F184 AromaticContact CD2-CE2 3.55Å; Y179-F184 HydrophobicContact CD2-CE2 3.55Å; Y179-F184 AromaticContact CD2-CZ 3.5Å; Y179-F184 HydrophobicContact CD2-CZ 3.5Å; Y179-F184 HydrophobicContact CE2-CD2 4.01Å; Y179-F184 AromaticContact CE2-CE2 3.29Å; Y179-F184 HydrophobicContact CE2-CE2 3.29Å; Y179-F184 AromaticContact CE2-CZ 3.72Å; Y179-F184 HydrophobicContact CE2-CZ 3.72Å
180F95.6Very high94.9Very high163 Ų16354.2 Ų54.272%0.71531%0.306SS*.Hα-helixtrans-76-32.8-178.8-73.2-65.4000114.3A176 G177A176-F180 HydrophobicContact CB-CD2 4.49Å; A176-F180 HydrophobicContact CB-CE2 4.44Å; A176-F180 WeakPolarHBondContact O-CD2 3.01Å; A176-F180 PolarHBondContact O-N 3.49Å; G177-F180 PolarHBondContact O-N 2.94Å
181L93.1Very high95Very high110 Ų11058.5 Ų58.558%0.57633%0.325SS*.Hα-helixtrans-83.9-39.4-178.8-73.2168.5000112.9Y55 G177Y55-L181 HydrophobicContact CD2-CD1 4.29Å; Y55-L181 HydrophobicContact CE2-CD1 3.8Å; G177-L181 VanDerWaalsContact O-CB 3.25Å; G177-L181 WeakPolarHBondContact O-CB 2.95Å; G177-L181 WeakPolarHBondContact O-CG 3.29Å; G177-L181 PolarHBondContact O-N 3.41Å
182Y92.3Very high95.1Very high32 Ų3258.2 Ų58.213%0.12532%0.323CS..Hα-helixtrans-120-17.1-168.6-53-65.1000113.8I50 H52 Y55 Q178I50-Y182 VanDerWaalsContact O-CE1 3.31Å; I50-Y182 WeakPolarHBondContact O-CE1 3.36Å; I50-Y182 PolarHBondContact O-OH 3.3Å; H52-Y182 AromaticContact CD2-CD1 3.58Å; H52-Y182 AromaticContact CD2-CD2 3.9Å; H52-Y182 AromaticContact CD2-CE1 3.97Å; H52-Y182 AromaticContact CD2-CG 3.53Å; H52-Y182 AromaticContact CE1-CD1 3.99Å; H52-Y182 AromaticContact NE2-CD1 3.27Å; H52-Y182 VanDerWaalsContact NE2-CD1 3.27Å; H52-Y182 WeakPolarHBondContact NE2-CD1 3.47Å; H52-Y182 AromaticContact NE2-CE1 3.97Å; H52-Y182 AromaticContact NE2-CG 3.46Å; Y55-Y182 HydrophobicContact CD1-CE2 4.32Å; Y55-Y182 AromaticContact CD2-CE2 3.74Å; Y55-Y182 HydrophobicContact CD2-CE2 3.74Å; Y55-Y182 HydrophobicContact CE2-CE2 4.24Å; Y55-Y182 AromaticContact CG-CE2 3.77Å; Y55-Y182 HydrophobicContact CG-CE2 3.77Å; Q178-Y182 HydrophobicContact CG-CD2 4.16Å; Q178-Y182 WeakPolarHBondContact O-CB 3.22Å; Q178-Y182 PolarHBondContact O-N 2.94Å
183G92.9Very high95.2Very high23 Ų2359.7 Ų59.724%0.23733%0.332CS..THydrogen-bonded Turntrans65.5-141.8-175.500000112.7Q178 Y179 L215Q178-G183 PolarHBondContact O-N 3.1Å; Y179-G183 VanDerWaalsContact O-CA 3.28Å; Y179-G183 WeakPolarHBondContact O-CA 3.46Å; Y179-G183 PolarHBondContact O-N 3.32Å; G183-L215 WeakPolarHBondContact O-CD2 3.46Å
184F93.3Very high95.1Very high100 Ų10064.2 Ų64.244%0.43934%0.336SS..THydrogen-bonded Turntrans-119.5-1.6-179.1-67-60.5000114.2Y179 T212 V216 F219Y179-F184 HydrophobicContact CD2-CD2 4.26Å; Y179-F184 HydrophobicContact CD2-CE1 4.22Å; Y179-F184 AromaticContact CD2-CE2 3.55Å; Y179-F184 HydrophobicContact CD2-CE2 3.55Å; Y179-F184 AromaticContact CD2-CZ 3.5Å; Y179-F184 HydrophobicContact CD2-CZ 3.5Å; Y179-F184 HydrophobicContact CE2-CD2 4.01Å; Y179-F184 AromaticContact CE2-CE2 3.29Å; Y179-F184 HydrophobicContact CE2-CE2 3.29Å; Y179-F184 AromaticContact CE2-CZ 3.72Å; Y179-F184 HydrophobicContact CE2-CZ 3.72Å; F184-T212 WeakPolarHBondContact O-CG2 3.3Å; F184-V216 WeakPolarHBondContact O-CG2 3.31Å; F184-F219 AromaticContact CE1-CD1 3.7Å; F184-F219 HydrophobicContact CE1-CD1 3.7Å; F184-F219 HydrophobicContact CE1-CD2 4.25Å; F184-F219 AromaticContact CE1-CE1 3.6Å; F184-F219 HydrophobicContact CE1-CE1 3.6Å; F184-F219 HydrophobicContact CE1-CE2 4.16Å; F184-F219 HydrophobicContact CE1-CG 4.03Å; F184-F219 AromaticContact CE1-CZ 3.84Å; F184-F219 HydrophobicContact CE1-CZ 3.84Å; F184-F219 HydrophobicContact CZ-CE1 4.01Å; F184-F219 HydrophobicContact CZ-CZ 4.06Å
185S94.3Very high95.1Very high79 Ų7972.5 Ų72.555%0.55237%0.367SS*.  trans-148134.7-176-171.70000110.4
186V94.4Very high95.1Very high7 Ų772.3 Ų72.34%0.04237%0.368CS..  trans-89.2120.9172.1-177.80000107.9F48 V205 K211 T212 L215F48-V186 HydrophobicContact CE1-CG1 4.33Å; F48-V186 HydrophobicContact CZ-CG1 4.25Å; V186-V205 HydrophobicContact CG1-CG1 3.91Å; V186-K211 HydrophobicContact CB-CB 4.48Å; V186-K211 HydrophobicContact CG2-CB 4.05Å; V186-T212 PolarHBondContact N-OG1 2.86Å; V186-L215 HydrophobicContact CG2-CD1 4.2Å
187P94.3Very high95.1Very high70 Ų7071 Ų7146%0.45536%0.356SS..  trans-67.2143.4179.229.5-34.8000110.2I189 V205P187-I189 VanDerWaalsContact C-N 3.31Å; P187-V205 WeakPolarHBondContact O-CB 3.42Å; P187-V205 WeakPolarHBondContact O-CG2 3.43Å
188G94.6Very high94.9Very high33 Ų3377.2 Ų77.234%0.3438%0.384SS..SBendtrans-74.6-22.8176.200000113.6V205G188-V205 PolarHBondContact O-N 3.1Å
189I96Very high94.8Very high86 Ų8685.3 Ų85.344%0.44142%0.419SS..EExtended strand (participates in β ladder)trans-130.4134.7-178.8-56.3172000108P187 E202 C203 Y204P187-I189 VanDerWaalsContact C-N 3.31Å; I189-E202 HydrophobicContact CG2-CB 4.2Å; I189-C203 CarbonylContact C-O 3.53Å; I189-C203 WeakPolarHBondContact CA-O 3.33Å; I189-Y204 HydrophobicContact CD1-CE1 4.21Å; I189-Y204 HydrophobicContact CG1-CD1 4.12Å; I189-Y204 HydrophobicContact CG1-CE1 4.08Å
190F95.9Very high94.8Very high49 Ų4986.2 Ų86.222%0.21543%0.428CS..EExtended strand (participates in β ladder)trans-124.5120.6177.8-179.5-98.6000109.8K46 A47 C192 C203K46-F190 HydrophobicContact CD-CZ 4.42Å; K46-F190 HydrophobicContact CG-CZ 4.33Å; A47-F190 HydrophobicContact CB-CD1 3.7Å; A47-F190 HydrophobicContact CB-CD2 3.98Å; A47-F190 HydrophobicContact CB-CE1 3.65Å; A47-F190 HydrophobicContact CB-CE2 3.94Å; A47-F190 HydrophobicContact CB-CG 3.86Å; A47-F190 HydrophobicContact CB-CZ 3.77Å; F190-C192 HydrophobicContact CD1-CB 4.02Å; F190-C192 HydrophobicContact CE1-CB 3.86Å; F190-C203 HydrophobicContact CB-CB 4.47Å; F190-C203 PolarHBondContact N-O 3.48Å; F190-C203 WeakPolarHBondContact O-CB 3.32Å; F190-C203 PolarHBondContact O-N 2.94Å
191E97Very high94.9Very high123 Ų12379.1 Ų79.158%0.57540%0.398SS*.EExtended strand (participates in β ladder)trans-84.9129176.9-66.5171.916600109.9
192C97.1Very high95.1Very high0 Ų078 Ų780%039%0.389CS..EExtended strand (participates in β ladder)trans-135.2132.6-171.7-177.50000113.2C43 F190 E200 V201C43-C192 WeakPolarHBondContact CA-SG 3.16Å; C43-C192 HydrophobicContact CB-CB 3.7Å; C43-C192 WeakPolarHBondContact CB-SG 3.43Å; C43-C192 WeakPolarHBondContact SG-CB 3.36Å; C43-C192 CovalentContact SG-SG 2.03Å; C43-C192 PolarHBondContact SG-SG 2.93Å; F190-C192 HydrophobicContact CD1-CB 4.02Å; F190-C192 HydrophobicContact CE1-CB 3.86Å; C192-E200 WeakPolarHBondContact O-CA 3.02Å; C192-V201 HydrophobicContact CB-CG2 4.22Å; C192-V201 PolarHBondContact N-O 3.35Å; C192-V201 PolarHBondContact O-N 2.98Å
193D96.4Very high95.3Very high103 Ų10376.4 Ų76.455%0.55138%0.383SS*.  trans-121.516.5177.567.9-17.2000112.6K46K46-D193 IonicContact NZ-OD1 3.57Å; K46-D193 PolarHBondContact NZ-OD1 2.9Å
194R96Very high95.5Very high139 Ų13980.4 Ų80.453%0.52539%0.392SS..  trans-72.9134.5-174.1-16668.7178.6-179.1-0.3110.8A42 K46 C197A42-R194 HydrophobicContact CB-CG 4.13Å; K46-R194 HydrophobicContact CD-CB 4.03Å; K46-R194 HydrophobicContact CD-CG 4.46Å; R194-C197 WeakPolarHBondContact O-CB 3.38Å; R194-C197 PolarHBondContact O-N 3.06Å; R194-C197 PolarHBondContact O-SG 2.94Å
195Y94.7Very high95.6Very high203 Ų20376.3 Ų76.380%0.79638%0.375SS*.THydrogen-bonded Turntrans-54.3133168-179-90.4000110.4A42A42-Y195 WeakPolarHBondContact CB-O 3.44Å
196P96.1Very high95.6Very high26 Ų2673.2 Ų73.217%0.16935%0.353CS..THydrogen-bonded Turncis-93.718.917.337.9-37.6000116.1Q36 P37 L198Q36-P196 VanDerWaalsContact CG-O 3.3Å; Q36-P196 WeakPolarHBondContact CG-O 3.31Å; P37-P196 WeakPolarHBondContact O-CG 3.36Å; P196-L198 PolarHBondContact O-N 3.19Å
197C96.1Very high95.5Very high13 Ų1377.7 Ų77.79%0.08837%0.369CS..  trans-69.7127176.9-46.40000110.5C39 C43 R194C39-C197 VanDerWaalsContact CA-SG 3.59Å; C39-C197 HydrophobicContact CB-CB 4.21Å; C39-C197 WeakPolarHBondContact CB-SG 3.18Å; C39-C197 WeakPolarHBondContact SG-CB 3.38Å; C39-C197 CovalentContact SG-SG 2.03Å; C39-C197 PolarHBondContact SG-SG 2.74Å; C43-C197 PolarHBondContact SG-SG 3.32Å; R194-C197 WeakPolarHBondContact O-CB 3.38Å; R194-C197 PolarHBondContact O-N 3.06Å; R194-C197 PolarHBondContact O-SG 2.94Å
198L92.1Very high95.6Very high149 Ų14976 Ų7678%0.7836%0.358SS*.SBendtrans-78.7-23.3-176.4-66.6174.8000113.5P196P196-L198 PolarHBondContact O-N 3.19Å
199K92.9Very high95.6Very high170 Ų17079.3 Ų79.374%0.73937%0.372SS*.SBendtrans-142.5169.8178.5-65.6-171178.8-177.60108.5V201K199-V201 PolarHBondContact O-N 3.37Å
200E96Very high95.5Very high133 Ų13379.3 Ų79.362%0.62137%0.37SS*.  trans-62.2128.3169.1-171.2164-157.500110.2C192C192-E200 WeakPolarHBondContact O-CA 3.02Å
201V96.9Very high95.5Very high14 Ų1477.3 Ų77.39%0.08536%0.361CS..EExtended strand (participates in β ladder)trans-124.8146.5-179-63.20000110.1C32 T34 C192 K199C32-V201 HydrophobicContact CB-CG2 4.12Å; T34-V201 HydrophobicContact CG2-CG1 4.27Å; C192-V201 HydrophobicContact CB-CG2 4.22Å; C192-V201 PolarHBondContact N-O 3.35Å; C192-V201 PolarHBondContact O-N 2.98Å; K199-V201 PolarHBondContact O-N 3.37Å
202E97.1Very high95.4Very high85 Ų8572.7 Ų72.740%0.39734%0.341SS..EExtended strand (participates in β ladder)trans-86.9126.3171.8-61.4175143.100109.4C32 N33 I189C32-E202 CarbonylContact C-O 3.6Å; C32-E202 WeakPolarHBondContact CA-O 3.41Å; N33-E202 PolarHBondContact N-O 3.38Å; I189-E202 HydrophobicContact CG2-CB 4.2Å
203C97.1Very high95.3Very high0 Ų077.7 Ų77.70%037%0.372CS..EExtended strand (participates in β ladder)trans-112.6132.6174.6-55.10000110.9F30 I31 C32 I189 F190F30-C203 HydrophobicContact CE1-CB 3.71Å; F30-C203 HydrophobicContact CE2-CB 3.91Å; F30-C203 HydrophobicContact CZ-CB 3.31Å; I31-C203 CarbonylContact O-C 3.54Å; I31-C203 WeakPolarHBondContact O-CA 3.46Å; C32-C203 HydrophobicContact CB-CB 4.01Å; C32-C203 WeakPolarHBondContact CB-SG 3.09Å; C32-C203 WeakPolarHBondContact SG-CB 3.5Å; C32-C203 CovalentContact SG-SG 2.04Å; C32-C203 PolarHBondContact SG-SG 2.85Å; I189-C203 CarbonylContact C-O 3.53Å; I189-C203 WeakPolarHBondContact CA-O 3.33Å; F190-C203 HydrophobicContact CB-CB 4.47Å; F190-C203 PolarHBondContact N-O 3.48Å; F190-C203 WeakPolarHBondContact O-CB 3.32Å; F190-C203 PolarHBondContact O-N 2.94Å
204Y96.5Very high95.2Very high107 Ų10773.5 Ų73.542%0.4235%0.349SS..EExtended strand (participates in β ladder)trans-96126.8-178.6-62.7-90.6000109.9I31 I189I31-Y204 PolarHBondContact N-O 3.16Å; I31-Y204 PolarHBondContact O-N 3.25Å; I189-Y204 HydrophobicContact CD1-CE1 4.21Å; I189-Y204 HydrophobicContact CG1-CD1 4.12Å; I189-Y204 HydrophobicContact CG1-CE1 4.08Å
205V95.4Very high95.1Very high14 Ų1466.9 Ų66.99%0.08532%0.324CS..PPolyproline II helixtrans-89133.5-179-178.80000109.8F30 F48 V186 P187 G188 P208F30-V205 HydrophobicContact CD2-CG2 4.34Å; F30-V205 HydrophobicContact CE2-CG2 4.09Å; F48-V205 HydrophobicContact CE2-CG1 4.18Å; F48-V205 HydrophobicContact CE2-CG2 4.09Å; F48-V205 HydrophobicContact CZ-CG1 3.87Å; F48-V205 HydrophobicContact CZ-CG2 3.96Å; V186-V205 HydrophobicContact CG1-CG1 3.91Å; P187-V205 WeakPolarHBondContact O-CB 3.42Å; P187-V205 WeakPolarHBondContact O-CG2 3.43Å; G188-V205 PolarHBondContact O-N 3.1Å; V205-P208 WeakPolarHBondContact O-CD 3.21Å
206S94.2Very high95.1Very high13 Ų1360.3 Ų60.39%0.09131%0.305CS..SBendtrans-65.8132.2175.3176.70000112.1D25 K211D25-S206 PolarHBondContact OD1-OG 2.85Å; S206-K211 WeakPolarHBondContact O-CD 3.23Å; S206-K211 WeakPolarHBondContact O-CE 3.36Å; S206-K211 PolarHBondContact O-NZ 2.9Å
207R94.1Very high95Very high102 Ų10263.4 Ų63.439%0.38532%0.316SS..SBendtrans47.353.3170.9-56.7158.3-176.8-93.34.7113.7D25 T209 E210 K211D25-R207 IonicContact OD1-NE 3.62Å; D25-R207 IonicContact OD2-CZ 3.85Å; D25-R207 IonicContact OD2-NE 3.95Å; D25-R207 PolarHBondContact OD2-NE 3.36Å; D25-R207 IonicContact OD2-NH2 2.95Å; D25-R207 PolarHBondContact OD2-NH2 3.39Å; R207-T209 VanDerWaalsContact C-N 3.27Å; R207-T209 PolarHBondContact O-N 2.9Å; R207-E210 HydrophobicContact CB-CB 4.06Å; R207-E210 HydrophobicContact CB-CG 4.21Å; R207-E210 VanDerWaalsContact CD-OE2 3.22Å; R207-E210 WeakPolarHBondContact CD-OE2 3.42Å; R207-E210 WeakPolarHBondContact CG-OE2 3.4Å; R207-E210 IonicContact CZ-OE2 3.65Å; R207-E210 IonicContact NE-OE2 2.59Å; R207-E210 IonicContact NH1-OE1 3.32Å; R207-E210 IonicContact NH1-OE2 2.93Å; R207-E210 PolarHBondContact NH1-OE2 3.23Å; R207-E210 PolarHBondContact O-N 3.31Å; R207-K211 WeakPolarHBondContact O-CB 3.24Å; R207-K211 WeakPolarHBondContact O-CG 3.12Å; R207-K211 PolarHBondContact O-N 3.07Å
208P95.4Very high94.8Very high33 Ų3363 Ų6321%0.21431%0.313CS..Hα-helixtrans-64.2-33.8-172.627.5-34.3000111.9V205 T212V205-P208 WeakPolarHBondContact O-CD 3.21Å; P208-T212 WeakPolarHBondContact O-CB 3.47Å; P208-T212 PolarHBondContact O-N 3.37Å; P208-T212 PolarHBondContact O-OG1 3.25Å
209T95.3Very high94.9Very high104 Ų10458.1 Ų58.164%0.63829%0.285SS*.Hα-helixtrans-69.5-46.8176.751.10000112.1R207 T212 V213R207-T209 VanDerWaalsContact C-N 3.27Å; R207-T209 PolarHBondContact O-N 2.9Å; T209-T212 PolarHBondContact O-N 3.3Å; T209-V213 WeakPolarHBondContact O-CG2 3.28Å; T209-V213 PolarHBondContact O-N 3.42Å
210E94.1Very high95Very high86 Ų8652.2 Ų52.240%0.40227%0.268SS..Hα-helixtrans-61.4-46.9177.1-57.6-179.2173.600110.8V22 R207 T212 V213 F214V22-E210 HydrophobicContact CG1-CB 4.42Å; R207-E210 HydrophobicContact CB-CB 4.06Å; R207-E210 HydrophobicContact CB-CG 4.21Å; R207-E210 VanDerWaalsContact CD-OE2 3.22Å; R207-E210 WeakPolarHBondContact CD-OE2 3.42Å; R207-E210 WeakPolarHBondContact CG-OE2 3.4Å; R207-E210 IonicContact CZ-OE2 3.65Å; R207-E210 IonicContact NE-OE2 2.59Å; R207-E210 IonicContact NH1-OE1 3.32Å; R207-E210 IonicContact NH1-OE2 2.93Å; R207-E210 PolarHBondContact NH1-OE2 3.23Å; R207-E210 PolarHBondContact O-N 3.31Å; E210-T212 VanDerWaalsContact C-N 3.32Å; E210-T212 PolarHBondContact O-N 3.08Å; E210-V213 PolarHBondContact O-N 3.12Å; E210-F214 WeakPolarHBondContact O-CB 3.43Å; E210-F214 PolarHBondContact O-N 3.18Å
211K94.5Very high94.8Very high6 Ų646.9 Ų46.93%0.02625%0.245CC..Hα-helixtrans-60-40.9175.5-71.6-179.9171.267.60111.7V22 Y23 V186 S206 R207 F214 L215V22-K211 HydrophobicContact CG1-CG 3.76Å; V22-K211 PolarHBondContact O-NZ 2.92Å; V22-K211 VanDerWaalsContact O-NZ 3.12Å; Y23-K211 HydrophobicContact CD1-CD 4.36Å; Y23-K211 HydrophobicContact CE1-CD 3.96Å; Y23-K211 HydrophobicContact CE1-CG 3.92Å; V186-K211 HydrophobicContact CB-CB 4.48Å; V186-K211 HydrophobicContact CG2-CB 4.05Å; S206-K211 WeakPolarHBondContact O-CD 3.23Å; S206-K211 WeakPolarHBondContact O-CE 3.36Å; S206-K211 PolarHBondContact O-NZ 2.9Å; R207-K211 WeakPolarHBondContact O-CB 3.24Å; R207-K211 WeakPolarHBondContact O-CG 3.12Å; R207-K211 PolarHBondContact O-N 3.07Å; K211-F214 PolarHBondContact O-N 3.49Å; K211-L215 WeakPolarHBondContact O-CB 3.15Å; K211-L215 PolarHBondContact O-N 3.21Å
212T95.4Very high94.5Very high26 Ų2646.3 Ų46.316%0.1624%0.241CC..Hα-helixtrans-65.6-48177.3-64.80000112.1F184 V186 P208 T209 E210 F214 L215 V216F184-T212 WeakPolarHBondContact O-CG2 3.3Å; V186-T212 PolarHBondContact N-OG1 2.86Å; P208-T212 WeakPolarHBondContact O-CB 3.47Å; P208-T212 PolarHBondContact O-N 3.37Å; P208-T212 PolarHBondContact O-OG1 3.25Å; T209-T212 PolarHBondContact O-N 3.3Å; E210-T212 VanDerWaalsContact C-N 3.32Å; E210-T212 PolarHBondContact O-N 3.08Å; T212-F214 VanDerWaalsContact C-N 3.29Å; T212-F214 PolarHBondContact O-N 3.24Å; T212-L215 PolarHBondContact O-N 2.86Å; T212-V216 HydrophobicContact CG2-CG2 4.49Å; T212-V216 WeakPolarHBondContact O-CG2 3.34Å; T212-V216 PolarHBondContact O-N 3.27Å
213V94.9Very high94.3Very high106 Ų10643.1 Ų43.164%0.64223%0.231SC*.Hα-helixtrans-58.8-45177.2169.70000110.3T209 E210 V216 F217T209-V213 WeakPolarHBondContact O-CG2 3.28Å; T209-V213 PolarHBondContact O-N 3.42Å; E210-V213 PolarHBondContact O-N 3.12Å; V213-V216 PolarHBondContact O-N 3.41Å; V213-F217 VanDerWaalsContact O-CB 3.29Å; V213-F217 WeakPolarHBondContact O-CB 3.22Å; V213-F217 PolarHBondContact O-N 3.36Å
214F93.7Very high94.1Very high14 Ų1448.1 Ų48.16%0.06126%0.257CS..Hα-helixtrans-64.4-43.9178.7-169.9-121000112.5I14 V18 Y23 I53 W56 E210 K211 T212 F217 M218I14-F214 HydrophobicContact CG2-CE2 3.4Å; I14-F214 HydrophobicContact CG2-CZ 3.84Å; V18-F214 HydrophobicContact CB-CD2 4.25Å; V18-F214 HydrophobicContact CB-CE2 3.43Å; V18-F214 VanDerWaalsContact CB-CE2 3.43Å; V18-F214 HydrophobicContact CB-CZ 3.69Å; V18-F214 HydrophobicContact CG1-CD2 3.53Å; V18-F214 HydrophobicContact CG1-CE1 4.47Å; V18-F214 HydrophobicContact CG1-CE2 3.23Å; V18-F214 HydrophobicContact CG1-CG 4.29Å; V18-F214 HydrophobicContact CG1-CZ 3.73Å; V18-F214 HydrophobicContact CG2-CE2 4.23Å; Y23-F214 AromaticContact CE2-CD1 3.58Å; Y23-F214 HydrophobicContact CE2-CD1 3.58Å; Y23-F214 AromaticContact CE2-CE1 3.81Å; Y23-F214 HydrophobicContact CE2-CE1 3.81Å; I53-F214 HydrophobicContact CD1-CE1 3.86Å; W56-F214 AromaticContact CE3-CE1 3.97Å; W56-F214 HydrophobicContact CE3-CE1 3.97Å; W56-F214 HydrophobicContact CE3-CZ 4.38Å; W56-F214 AromaticContact CH2-CD1 3.44Å; W56-F214 HydrophobicContact CH2-CD1 3.44Å; W56-F214 VanDerWaalsContact CH2-CD1 3.44Å; W56-F214 AromaticContact CH2-CE1 3.57Å; W56-F214 HydrophobicContact CH2-CE1 3.57Å; W56-F214 HydrophobicContact CH2-CG 4.12Å; W56-F214 HydrophobicContact CH2-CZ 4.25Å; W56-F214 WeakPolarHBondContact CH2-O 3.29Å; W56-F214 AromaticContact CZ3-CD1 3.49Å; W56-F214 HydrophobicContact CZ3-CD1 3.49Å; W56-F214 VanDerWaalsContact CZ3-CD1 3.49Å; W56-F214 AromaticContact CZ3-CE1 3.06Å; W56-F214 HydrophobicContact CZ3-CE1 3.06Å; W56-F214 HydrophobicContact CZ3-CE2 4.24Å; W56-F214 HydrophobicContact CZ3-CG 4.31Å; W56-F214 AromaticContact CZ3-CZ 3.5Å; W56-F214 HydrophobicContact CZ3-CZ 3.5Å; W56-F214 VanDerWaalsContact CZ3-CZ 3.5Å; E210-F214 WeakPolarHBondContact O-CB 3.43Å; E210-F214 PolarHBondContact O-N 3.18Å; K211-F214 PolarHBondContact O-N 3.49Å; T212-F214 VanDerWaalsContact C-N 3.29Å; T212-F214 PolarHBondContact O-N 3.24Å; F214-F217 PolarHBondContact O-N 2.89Å; F214-M218 HydrophobicContact CE2-CE 4.14Å; F214-M218 HydrophobicContact CE2-CG 4.39Å; F214-M218 HydrophobicContact CZ-CE 3.84Å; F214-M218 WeakPolarHBondContact O-CB 3.39Å; F214-M218 PolarHBondContact O-N 2.83Å
215L93.9Very high93.7Very high0 Ų043.4 Ų43.40%024%0.239CC..Hα-helixtrans-57.6-50.3176.2-176164.3000111.3Q178 G183 V186 K211 T212 M218 F219Q178-L215 PolarHBondContact NE2-O 3.32Å; G183-L215 WeakPolarHBondContact O-CD2 3.46Å; V186-L215 HydrophobicContact CG2-CD1 4.2Å; K211-L215 WeakPolarHBondContact O-CB 3.15Å; K211-L215 PolarHBondContact O-N 3.21Å; T212-L215 PolarHBondContact O-N 2.86Å; L215-M218 PolarHBondContact O-N 2.84Å; L215-F219 WeakPolarHBondContact O-CB 3.49Å; L215-F219 PolarHBondContact O-N 2.86Å
216V95.1Very high93.5Very high66 Ų6643.2 Ų43.240%0.424%0.239SC..Hα-helixtrans-64.6-44179.9172.70000111.1F184 T212 V213 M218 F219 A220F184-V216 WeakPolarHBondContact O-CG2 3.31Å; T212-V216 HydrophobicContact CG2-CG2 4.49Å; T212-V216 WeakPolarHBondContact O-CG2 3.34Å; T212-V216 PolarHBondContact O-N 3.27Å; V213-V216 PolarHBondContact O-N 3.41Å; V216-M218 VanDerWaalsContact C-N 3.3Å; V216-M218 PolarHBondContact O-N 2.85Å; V216-F219 PolarHBondContact O-N 3.12Å; V216-A220 WeakPolarHBondContact O-CB 3.46Å; V216-A220 PolarHBondContact O-N 3.3Å
217F93.7Very high93.3Very high91 Ų9147.1 Ų47.140%0.39926%0.261SS..Hα-helixtrans-56.8-46177.7172-107.9000111.5F10 I14 V213 F214 A220 V221F10-F217 HydrophobicContact CE1-CZ 4.07Å; F10-F217 HydrophobicContact CZ-CZ 4.01Å; I14-F217 HydrophobicContact CD1-CE1 3.57Å; I14-F217 HydrophobicContact CD1-CZ 3.99Å; I14-F217 HydrophobicContact CG2-CE1 4.29Å; V213-F217 VanDerWaalsContact O-CB 3.29Å; V213-F217 WeakPolarHBondContact O-CB 3.22Å; V213-F217 PolarHBondContact O-N 3.36Å; F214-F217 PolarHBondContact O-N 2.89Å; F217-A220 PolarHBondContact O-N 2.83Å; F217-V221 HydrophobicContact CD2-CG2 4.34Å; F217-V221 HydrophobicContact CE1-CG2 4.25Å; F217-V221 HydrophobicContact CE2-CG2 3.92Å; F217-V221 HydrophobicContact CZ-CG2 3.86Å; F217-V221 WeakPolarHBondContact O-CG2 3.15Å; F217-V221 PolarHBondContact O-N 3.31Å
218M92.5Very high93Very high4 Ų446.4 Ų46.42%0.0227%0.265CS..Hα-helixtrans-76.4-31.4-178.4-75.8-88-128.500113.1I14 V15 W56 F214 L215 V216 S222I14-M218 HydrophobicContact CB-CE 3.63Å; I14-M218 HydrophobicContact CG2-CE 3.24Å; I14-M218 HydrophobicContact CG2-SD 4.16Å; V15-M218 HydrophobicContact CG2-CE 3.52Å; W56-M218 HydrophobicContact CE3-CB 4.15Å; W56-M218 HydrophobicContact CE3-CE 3.55Å; W56-M218 HydrophobicContact CE3-CG 4.02Å; W56-M218 HydrophobicContact CE3-SD 4.27Å; W56-M218 HydrophobicContact CH2-CB 3.11Å; W56-M218 HydrophobicContact CH2-CE 4.39Å; W56-M218 HydrophobicContact CH2-CG 3.31Å; W56-M218 HydrophobicContact CZ2-CB 3.53Å; W56-M218 HydrophobicContact CZ2-CG 4.21Å; W56-M218 HydrophobicContact CZ3-CB 3.45Å; W56-M218 VanDerWaalsContact CZ3-CB 3.45Å; W56-M218 HydrophobicContact CZ3-CE 3.31Å; W56-M218 HydrophobicContact CZ3-CG 3.17Å; W56-M218 HydrophobicContact CZ3-SD 3.91Å; F214-M218 HydrophobicContact CE2-CE 4.14Å; F214-M218 HydrophobicContact CE2-CG 4.39Å; F214-M218 HydrophobicContact CZ-CE 3.84Å; F214-M218 WeakPolarHBondContact O-CB 3.39Å; F214-M218 PolarHBondContact O-N 2.83Å; L215-M218 PolarHBondContact O-N 2.84Å; V216-M218 VanDerWaalsContact C-N 3.3Å; V216-M218 PolarHBondContact O-N 2.85Å; M218-S222 WeakPolarHBondContact O-CB 3.21Å; M218-S222 PolarHBondContact O-N 3.35Å; M218-S222 PolarHBondContact O-OG 3Å
219F94.8Very high92.5Very high46 Ų4645.7 Ų45.720%0.20226%0.259CS..Hα-helixtrans-60.2-46.2167.5-173.1-90.1000111.2L175 Q178 F184 L215 V216 S222 G223L175-F219 HydrophobicContact CD1-CD2 3.54Å; L175-F219 HydrophobicContact CD1-CE1 4.46Å; L175-F219 HydrophobicContact CD1-CE2 3.42Å; L175-F219 VanDerWaalsContact CD1-CE2 3.42Å; L175-F219 HydrophobicContact CD1-CG 4.14Å; L175-F219 HydrophobicContact CD1-CZ 3.92Å; L175-F219 HydrophobicContact CG-CD2 4.47Å; L175-F219 HydrophobicContact CG-CE2 3.87Å; L175-F219 HydrophobicContact CG-CZ 4.19Å; Q178-F219 HydrophobicContact CG-CD2 4.38Å; F184-F219 AromaticContact CE1-CD1 3.7Å; F184-F219 HydrophobicContact CE1-CD1 3.7Å; F184-F219 HydrophobicContact CE1-CD2 4.25Å; F184-F219 AromaticContact CE1-CE1 3.6Å; F184-F219 HydrophobicContact CE1-CE1 3.6Å; F184-F219 HydrophobicContact CE1-CE2 4.16Å; F184-F219 HydrophobicContact CE1-CG 4.03Å; F184-F219 AromaticContact CE1-CZ 3.84Å; F184-F219 HydrophobicContact CE1-CZ 3.84Å; F184-F219 HydrophobicContact CZ-CE1 4.01Å; F184-F219 HydrophobicContact CZ-CZ 4.06Å; L215-F219 WeakPolarHBondContact O-CB 3.49Å; L215-F219 PolarHBondContact O-N 2.86Å; V216-F219 PolarHBondContact O-N 3.12Å; F219-S222 PolarHBondContact O-N 2.88Å; F219-G223 PolarHBondContact O-N 3.24Å
220A94Very high92.1Very high47 Ų4744.3 Ų44.339%0.38825%0.247SC..Hα-helixtrans-64.4-49.4179.600000112V216 F217 S222 G223 I224V216-A220 WeakPolarHBondContact O-CB 3.46Å; V216-A220 PolarHBondContact O-N 3.3Å; F217-A220 PolarHBondContact O-N 2.83Å; A220-S222 PolarHBondContact O-N 3.05Å; A220-G223 PolarHBondContact O-N 3.42Å; A220-I224 VanDerWaalsContact O-CG1 3.28Å; A220-I224 WeakPolarHBondContact O-CG1 3.46Å; A220-I224 PolarHBondContact O-N 3.37Å
221V91.6Very high91.8Very high21 Ų2142.8 Ų42.813%0.12725%0.25CC..Hα-helixtrans-55.5-46.3173.7171.30000109.2F10 R11 F217 I224 C225F10-V221 HydrophobicContact CD1-CG1 4.45Å; F10-V221 HydrophobicContact CE1-CG2 4.34Å; R11-V221 HydrophobicContact CG-CG1 4.24Å; F217-V221 HydrophobicContact CD2-CG2 4.34Å; F217-V221 HydrophobicContact CE1-CG2 4.25Å; F217-V221 HydrophobicContact CE2-CG2 3.92Å; F217-V221 HydrophobicContact CZ-CG2 3.86Å; F217-V221 WeakPolarHBondContact O-CG2 3.15Å; F217-V221 PolarHBondContact O-N 3.31Å; V221-I224 PolarHBondContact O-N 3.49Å; V221-C225 PolarHBondContact O-N 3.46Å; V221-C225 PolarHBondContact O-SG 2.9Å
222S91.7Very high91.3Very high2 Ų245.2 Ų45.21%0.01426%0.261CS..Hα-helixtrans-63.7-42.8-179.8-59.50000114R11 M218 F219 A220 C225 V226R11-S222 PolarHBondContact NE-OG 3.46Å; R11-S222 PolarHBondContact NH1-OG 2.92Å; R11-S222 VanDerWaalsContact NH1-OG 3.12Å; R11-S222 VanDerWaalsContact NH2-CB 3.26Å; R11-S222 PolarHBondContact NH2-OG 3.39Å; M218-S222 WeakPolarHBondContact O-CB 3.21Å; M218-S222 PolarHBondContact O-N 3.35Å; M218-S222 PolarHBondContact O-OG 3Å; F219-S222 PolarHBondContact O-N 2.88Å; A220-S222 PolarHBondContact O-N 3.05Å; S222-C225 VanDerWaalsContact O-CB 3.25Å; S222-C225 WeakPolarHBondContact O-CB 3.44Å; S222-C225 PolarHBondContact O-N 2.86Å; S222-V226 WeakPolarHBondContact O-CG2 3.43Å; S222-V226 PolarHBondContact O-N 2.98Å
223G93.4Very high90.5Very high18 Ų1846.9 Ų46.919%0.18627%0.269CS..Hα-helixtrans-60.2-46.317400000111.7F219 A220 C225 V226 V227F219-G223 PolarHBondContact O-N 3.24Å; A220-G223 PolarHBondContact O-N 3.42Å; G223-C225 VanDerWaalsContact C-N 3.3Å; G223-C225 PolarHBondContact O-N 2.94Å; G223-V226 PolarHBondContact O-N 3.21Å; G223-V227 WeakPolarHBondContact O-CG2 3.4Å; G223-V227 PolarHBondContact O-N 3.23Å
224I91.2Very high89.9Confident104 Ų10446.6 Ų46.653%0.53326%0.264SS..Hα-helixtrans-60.3-41.8175.3-65.3165000110.4A220 V221 V226 V227 L228A220-I224 VanDerWaalsContact O-CG1 3.28Å; A220-I224 WeakPolarHBondContact O-CG1 3.46Å; A220-I224 PolarHBondContact O-N 3.37Å; V221-I224 PolarHBondContact O-N 3.49Å; I224-V226 PolarHBondContact O-N 3.39Å; I224-V227 PolarHBondContact O-N 2.73Å; I224-L228 HydrophobicContact CG2-CD1 3.78Å; I224-L228 HydrophobicContact CG2-CG 4.19Å; I224-L228 WeakPolarHBondContact O-CB 3.44Å; I224-L228 VanDerWaalsContact O-CG 3.27Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.11Å
225C88.4Confident89.4Confident8 Ų850.8 Ų50.85%0.05428%0.283CS..Hα-helixtrans-56-50.6174.8-55.80000111.2V7 R11 V221 S222 G223 L228 N229V7-C225 HydrophobicContact CG1-CB 4.2Å; V7-C225 WeakPolarHBondContact CG1-SG 3.39Å; R11-C225 PolarHBondContact NH2-SG 3.35Å; R11-C225 VanDerWaalsContact NH2-SG 3.41Å; V221-C225 PolarHBondContact O-N 3.46Å; V221-C225 PolarHBondContact O-SG 2.9Å; S222-C225 VanDerWaalsContact O-CB 3.25Å; S222-C225 WeakPolarHBondContact O-CB 3.44Å; S222-C225 PolarHBondContact O-N 2.86Å; G223-C225 VanDerWaalsContact C-N 3.3Å; G223-C225 PolarHBondContact O-N 2.94Å; C225-L228 PolarHBondContact O-N 2.84Å; C225-N229 VanDerWaalsContact O-CB 3.23Å; C225-N229 WeakPolarHBondContact O-CB 3.08Å; C225-N229 PolarHBondContact O-N 3.38Å; C225-N229 PolarHBondContact O-ND2 3.3Å
226V90.7Very high88.4Confident11 Ų1154.2 Ų54.27%0.06730%0.301CS..Hα-helixtrans-62.6-45.8-177.4168.50000110.2E171 I172 L175 S222 G223 I224 N229 L230E171-V226 HydrophobicContact CB-CG2 3.9Å; I172-V226 HydrophobicContact CD1-CG1 4.43Å; I172-V226 HydrophobicContact CG1-CG1 3.72Å; L175-V226 HydrophobicContact CD2-CG2 4.36Å; S222-V226 WeakPolarHBondContact O-CG2 3.43Å; S222-V226 PolarHBondContact O-N 2.98Å; G223-V226 PolarHBondContact O-N 3.21Å; I224-V226 PolarHBondContact O-N 3.39Å; V226-N229 PolarHBondContact O-N 3.38Å; V226-L230 HydrophobicContact CG1-CD1 3.9Å; V226-L230 HydrophobicContact CG1-CG 4.41Å; V226-L230 WeakPolarHBondContact O-CB 3.31Å; V226-L230 VanDerWaalsContact O-CG 3.31Å; V226-L230 WeakPolarHBondContact O-CG 3.12Å; V226-L230 PolarHBondContact O-N 3.03Å
227V90.8Very high87.4Confident94 Ų9452 Ų5257%0.5729%0.291SS*.Hα-helixtrans-62-46.3177.9172.50000111.2G223 I224 N229 L230 A231G223-V227 WeakPolarHBondContact O-CG2 3.4Å; G223-V227 PolarHBondContact O-N 3.23Å; I224-V227 PolarHBondContact O-N 2.73Å; V227-N229 VanDerWaalsContact C-N 3.34Å; V227-N229 PolarHBondContact O-N 3.45Å; V227-L230 PolarHBondContact O-N 2.9Å; V227-A231 WeakPolarHBondContact O-CB 3.3Å; V227-A231 PolarHBondContact O-N 3.44Å
228L87.8Confident86.2Confident88 Ų8854.7 Ų54.746%0.46130%0.299SS..Hα-helixtrans-64.8-38.5177.1-69.1176.2000111.9I224 C225 A231 E232I224-L228 HydrophobicContact CG2-CD1 3.78Å; I224-L228 HydrophobicContact CG2-CG 4.19Å; I224-L228 WeakPolarHBondContact O-CB 3.44Å; I224-L228 VanDerWaalsContact O-CG 3.27Å; I224-L228 WeakPolarHBondContact O-CG 3.38Å; I224-L228 PolarHBondContact O-N 3.11Å; C225-L228 PolarHBondContact O-N 2.84Å; L228-A231 PolarHBondContact O-N 3.46Å; L228-E232 WeakPolarHBondContact O-CB 3.26Å; L228-E232 PolarHBondContact O-N 3.39Å
229N85.3Confident85.2Confident17 Ų1762.5 Ų62.59%0.09133%0.328CS..Hα-helixtrans-64.1-42.4175.1-73.8-28.2000111.5L4 R167 C225 V226 V227 L233L4-N229 WeakPolarHBondContact CD1-OD1 3.41Å; L4-N229 VanDerWaalsContact CG-OD1 3.24Å; L4-N229 WeakPolarHBondContact CG-OD1 2.99Å; R167-N229 PolarHBondContact NH1-ND2 2.88Å; C225-N229 VanDerWaalsContact O-CB 3.23Å; C225-N229 WeakPolarHBondContact O-CB 3.08Å; C225-N229 PolarHBondContact O-N 3.38Å; C225-N229 PolarHBondContact O-ND2 3.3Å; V226-N229 PolarHBondContact O-N 3.38Å; V227-N229 VanDerWaalsContact C-N 3.34Å; V227-N229 PolarHBondContact O-N 3.45Å; N229-L233 VanDerWaalsContact O-CB 3.25Å; N229-L233 WeakPolarHBondContact O-CB 3.27Å; N229-L233 PolarHBondContact O-N 2.87Å
230L86.6Confident84Confident75 Ų7568 Ų6839%0.39335%0.352SS..Hα-helixtrans-66.2-40.7174.5-75.9171.1000111.6N168 V226 V227 L233 N234N168-L230 WeakPolarHBondContact ND2-CD2 3.5Å; V226-L230 HydrophobicContact CG1-CD1 3.9Å; V226-L230 HydrophobicContact CG1-CG 4.41Å; V226-L230 WeakPolarHBondContact O-CB 3.31Å; V226-L230 VanDerWaalsContact O-CG 3.31Å; V226-L230 WeakPolarHBondContact O-CG 3.12Å; V226-L230 PolarHBondContact O-N 3.03Å; V227-L230 PolarHBondContact O-N 2.9Å; L230-L233 PolarHBondContact O-N 2.97Å; L230-N234 WeakPolarHBondContact O-CB 3.21Å; L230-N234 PolarHBondContact O-N 2.93Å
231A87.3Confident82.7Confident54 Ų5470.7 Ų70.745%0.44636%0.358SS..Hα-helixtrans-64.9-44.6176.500000111.4V227 L228 N234 H235V227-A231 WeakPolarHBondContact O-CB 3.3Å; V227-A231 PolarHBondContact O-N 3.44Å; L228-A231 PolarHBondContact O-N 3.46Å; A231-N234 PolarHBondContact O-N 3.37Å; A231-H235 VanDerWaalsContact O-CB 3.3Å; A231-H235 WeakPolarHBondContact O-CB 3.41Å; A231-H235 PolarHBondContact O-N 3.07Å
232E84.4Confident81.8Confident57 Ų5775 Ų7527%0.26638%0.376SS..Hα-helixtrans-61.4-45.9174.2-172.3171.3173.300110.2R1 L228 H235 L236R1-E232 WeakPolarHBondContact CG-OE1 3.4Å; R1-E232 PolarHBondContact N-OE1 3.45Å; R1-E232 PolarHBondContact N-OE2 2.89Å; L228-E232 WeakPolarHBondContact O-CB 3.26Å; L228-E232 PolarHBondContact O-N 3.39Å; E232-H235 PolarHBondContact O-N 2.98Å; E232-L236 HydrophobicContact CG-CD1 4.03Å; E232-L236 WeakPolarHBondContact O-CB 3.49Å; E232-L236 VanDerWaalsContact O-CD1 3.31Å; E232-L236 WeakPolarHBondContact O-CD1 3.5Å; E232-L236 PolarHBondContact O-N 3.11Å
233L79.8Confident80.9Confident62 Ų6277.4 Ų77.433%0.32540%0.395SS..Hα-helixtrans-65.6-40.5178.6-173.965.4000112.5V164 N229 L230 G237V164-L233 HydrophobicContact CG1-CD1 3.89Å; N229-L233 VanDerWaalsContact O-CB 3.25Å; N229-L233 WeakPolarHBondContact O-CB 3.27Å; N229-L233 PolarHBondContact O-N 2.87Å; L230-L233 PolarHBondContact O-N 2.97Å; L233-G237 WeakPolarHBondContact O-CA 3.29Å; L233-G237 PolarHBondContact O-N 3.28Å
234N81.1Confident79.8Confident100 Ų10079.3 Ų79.354%0.53541%0.409SS..Hα-helixtrans-69-44.2178.7-168.928.8000110.2L230 A231 W238L230-N234 WeakPolarHBondContact O-CB 3.21Å; L230-N234 PolarHBondContact O-N 2.93Å; A231-N234 PolarHBondContact O-N 3.37Å; N234-W238 WeakPolarHBondContact O-CB 3.36Å; N234-W238 PolarHBondContact O-N 3.18Å
235H82.7Confident79Confident102 Ų10278.4 Ų78.447%0.47241%0.405SS..Hα-helixtrans-64.9-44.9177.8-177.8-105.8000112.4A231 E232 R239A231-H235 VanDerWaalsContact O-CB 3.3Å; A231-H235 WeakPolarHBondContact O-CB 3.41Å; A231-H235 PolarHBondContact O-N 3.07Å; E232-H235 PolarHBondContact O-N 2.98Å; H235-R239 VanDerWaalsContact CE1-CZ 3.46Å; H235-R239 PolarHBondContact CE1-NE 3.01Å; H235-R239 VanDerWaalsContact CE1-NE 3.33Å; H235-R239 PolarHBondContact CE1-NH2 3.08Å; H235-R239 VanDerWaalsContact CE1-NH2 3.31Å; H235-R239 PolarHBondContact NE2-NE 3.31Å; H235-R239 PolarHBondContact NE2-NH2 3.41Å; H235-R239 WeakPolarHBondContact O-CG 3.38Å; H235-R239 PolarHBondContact O-N 3.38Å
236L74.2Confident78.4Confident72 Ų7285.9 Ų85.938%0.37743%0.432SS..Hα-helixtrans-71.7-43.9176.6-89.668.2000111.9E232 R239 K240E232-L236 HydrophobicContact CG-CD1 4.03Å; E232-L236 WeakPolarHBondContact O-CB 3.49Å; E232-L236 VanDerWaalsContact O-CD1 3.31Å; E232-L236 WeakPolarHBondContact O-CD1 3.5Å; E232-L236 PolarHBondContact O-N 3.11Å; L236-R239 PolarHBondContact O-N 2.89Å; L236-K240 WeakPolarHBondContact O-CB 3.3Å; L236-K240 VanDerWaalsContact O-CG 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.1Å; L236-K240 PolarHBondContact O-N 2.97Å
237G72.6Confident77.7Confident18 Ų1887.4 Ų87.419%0.18645%0.45CS..Hα-helixtrans-60.5-48.6179.700000110.9L233 R239 K240 I241L233-G237 WeakPolarHBondContact O-CA 3.29Å; L233-G237 PolarHBondContact O-N 3.28Å; G237-R239 VanDerWaalsContact C-N 3.35Å; G237-R239 PolarHBondContact O-N 3.33Å; G237-K240 PolarHBondContact O-N 3.27Å; G237-I241 WeakPolarHBondContact O-CB 3.33Å; G237-I241 WeakPolarHBondContact O-CD1 3.47Å; G237-I241 WeakPolarHBondContact O-CG1 3.26Å; G237-I241 PolarHBondContact O-N 2.97Å
238W68.6Low76.9Confident148 Ų14886.9 Ų86.956%0.56145%0.447SS*.Hα-helixtrans-61.3-40.6178.1-163-62.5000112.3N234 K242N234-W238 WeakPolarHBondContact O-CB 3.36Å; N234-W238 PolarHBondContact O-N 3.18Å; W238-K242 VanDerWaalsContact CD1-CD 3.49Å; W238-K242 VanDerWaalsContact O-CB 3.24Å; W238-K242 WeakPolarHBondContact O-CB 3.45Å; W238-K242 WeakPolarHBondContact O-CG 3.46Å; W238-K242 PolarHBondContact O-N 3.36Å
239R71.6Confident76.4Confident169 Ų16988.2 Ų88.264%0.63845%0.451SS*.Hα-helixtrans-64.9-43.4174.8-74.2-176-175.4-152.81112.1H235 L236 G237 A243H235-R239 VanDerWaalsContact CE1-CZ 3.46Å; H235-R239 PolarHBondContact CE1-NE 3.01Å; H235-R239 VanDerWaalsContact CE1-NE 3.33Å; H235-R239 PolarHBondContact CE1-NH2 3.08Å; H235-R239 VanDerWaalsContact CE1-NH2 3.31Å; H235-R239 PolarHBondContact NE2-NE 3.31Å; H235-R239 PolarHBondContact NE2-NH2 3.41Å; H235-R239 WeakPolarHBondContact O-CG 3.38Å; H235-R239 PolarHBondContact O-N 3.38Å; L236-R239 PolarHBondContact O-N 2.89Å; G237-R239 VanDerWaalsContact C-N 3.35Å; G237-R239 PolarHBondContact O-N 3.33Å; R239-A243 WeakPolarHBondContact O-CB 3.41Å; R239-A243 PolarHBondContact O-N 2.68Å
240K69.5Low75.8Confident161 Ų16190.2 Ų90.270%0.747%0.469SS*.Hα-helixtrans-72.3-40.2-179.5-68.6-71.3-175.61790112.3L236 G237 A243 A244L236-K240 WeakPolarHBondContact O-CB 3.3Å; L236-K240 VanDerWaalsContact O-CG 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.1Å; L236-K240 PolarHBondContact O-N 2.97Å; G237-K240 PolarHBondContact O-N 3.27Å; K240-A243 PolarHBondContact O-N 3.07Å; K240-A244 WeakPolarHBondContact O-CB 3.44Å; K240-A244 PolarHBondContact O-N 3.03Å
241I66.8Low75.3Confident103 Ų10395.4 Ų95.453%0.52848%0.484SS..Hα-helixtrans-64.7-46.9175.2-68.7164.2000109.8G237 A243 A244 I245G237-I241 WeakPolarHBondContact O-CB 3.33Å; G237-I241 WeakPolarHBondContact O-CD1 3.47Å; G237-I241 WeakPolarHBondContact O-CG1 3.26Å; G237-I241 PolarHBondContact O-N 2.97Å; I241-A243 VanDerWaalsContact C-N 3.28Å; I241-A243 PolarHBondContact O-N 3.37Å; I241-A244 PolarHBondContact O-N 3.06Å; I241-I245 HydrophobicContact CG2-CD1 3.55Å; I241-I245 HydrophobicContact CG2-CG1 4.21Å; I241-I245 WeakPolarHBondContact O-CB 3.23Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.35Å; I241-I245 PolarHBondContact O-N 3.48Å
242K73.8Confident74.7Confident112 Ų112102 Ų10249%0.48750%0.497SS..Hα-helixtrans-59.2-37173-82.9-174.8164.9157.20112.8W238 R246W238-K242 VanDerWaalsContact CD1-CD 3.49Å; W238-K242 VanDerWaalsContact O-CB 3.24Å; W238-K242 WeakPolarHBondContact O-CB 3.45Å; W238-K242 WeakPolarHBondContact O-CG 3.46Å; W238-K242 PolarHBondContact O-N 3.36Å; K242-R246 WeakPolarHBondContact O-CB 3.45Å; K242-R246 VanDerWaalsContact O-CG 3.3Å; K242-R246 WeakPolarHBondContact O-CG 3.49Å; K242-R246 PolarHBondContact O-N 2.92Å; K242-R246 PolarHBondContact O-NE 3.28Å; K242-R246 VanDerWaalsContact O-NE 3.12Å
243A71.9Confident74.5Confident52 Ų52106.9 Ų106.943%0.4352%0.518SS..Hα-helixtrans-70-42.6175.800000112R239 K240 I241 R246 G247R239-A243 WeakPolarHBondContact O-CB 3.41Å; R239-A243 PolarHBondContact O-N 2.68Å; K240-A243 PolarHBondContact O-N 3.07Å; I241-A243 VanDerWaalsContact C-N 3.28Å; I241-A243 PolarHBondContact O-N 3.37Å; A243-R246 PolarHBondContact O-N 3.15Å; A243-G247 PolarHBondContact O-N 2.83Å
244A70.2Confident74.4Confident58 Ų58106.5 Ų106.548%0.47952%0.52SS..Hα-helixtrans-65-44.8177.400000112.2K240 I241 G247 V248K240-A244 WeakPolarHBondContact O-CB 3.44Å; K240-A244 PolarHBondContact O-N 3.03Å; I241-A244 PolarHBondContact O-N 3.06Å; A244-G247 PolarHBondContact O-N 2.88Å; A244-V248 WeakPolarHBondContact O-CG2 3.4Å; A244-V248 PolarHBondContact O-N 3.11Å
245I74.4Confident74.3Confident86 Ų86106.4 Ų106.444%0.44152%0.519SS..Hα-helixtrans-62.7-44.6177.6-67.1170.2000110.6I241 G247 V248 Q249I241-I245 HydrophobicContact CG2-CD1 3.55Å; I241-I245 HydrophobicContact CG2-CG1 4.21Å; I241-I245 WeakPolarHBondContact O-CB 3.23Å; I241-I245 VanDerWaalsContact O-CG1 3.26Å; I241-I245 WeakPolarHBondContact O-CG1 3.35Å; I241-I245 PolarHBondContact O-N 3.48Å; I245-G247 VanDerWaalsContact C-N 3.31Å; I245-G247 PolarHBondContact O-N 3.49Å; I245-V248 PolarHBondContact O-N 3.13Å; I245-Q249 HydrophobicContact CG2-CG 4.38Å; I245-Q249 WeakPolarHBondContact O-CB 3.48Å; I245-Q249 WeakPolarHBondContact O-CG 3.21Å; I245-Q249 PolarHBondContact O-N 2.98Å
246R76.6Confident73.8Confident164 Ų164105.7 Ų105.762%0.61952%0.524SS*.Hα-helixtrans-60.7-40.1174.6-77.4-176.5-71.9-172.52.2112.1K242 A243 Q249 A250K242-R246 WeakPolarHBondContact O-CB 3.45Å; K242-R246 VanDerWaalsContact O-CG 3.3Å; K242-R246 WeakPolarHBondContact O-CG 3.49Å; K242-R246 PolarHBondContact O-N 2.92Å; K242-R246 PolarHBondContact O-NE 3.28Å; K242-R246 VanDerWaalsContact O-NE 3.12Å; A243-R246 PolarHBondContact O-N 3.15Å; R246-Q249 PolarHBondContact O-N 3.26Å; R246-A250 WeakPolarHBondContact O-CB 3.44Å; R246-A250 PolarHBondContact O-N 3.15Å
247G75.9Confident74Confident43 Ų43107.4 Ų107.444%0.44353%0.53SS..Hα-helixtrans-62.7-44174.400000113.1A243 A244 I245 A250 R251A243-G247 PolarHBondContact O-N 2.83Å; A244-G247 PolarHBondContact O-N 2.88Å; I245-G247 VanDerWaalsContact C-N 3.31Å; I245-G247 PolarHBondContact O-N 3.49Å; G247-A250 PolarHBondContact O-N 3.1Å; G247-R251 WeakPolarHBondContact O-CB 3.47Å; G247-R251 PolarHBondContact O-N 2.99Å
248V74.9Confident74.2Confident84 Ų84111.3 Ų111.351%0.50955%0.546SS..Hα-helixtrans-67.4-40.6176.9173.60000111.5A244 I245 R251 R252A244-V248 WeakPolarHBondContact O-CG2 3.4Å; A244-V248 PolarHBondContact O-N 3.11Å; I245-V248 PolarHBondContact O-N 3.13Å; V248-R251 PolarHBondContact O-N 3.29Å; V248-R252 WeakPolarHBondContact O-CB 3.41Å; V248-R252 PolarHBondContact O-N 3.42Å
249Q75.6Confident74.4Confident115 Ų115112.9 Ų112.954%0.53755%0.552SS.*Hα-helixtrans-64.1-43.2175.5-76.6179.7-20.900111.9I245 R246 R251 R252 K253I245-Q249 HydrophobicContact CG2-CG 4.38Å; I245-Q249 WeakPolarHBondContact O-CB 3.48Å; I245-Q249 WeakPolarHBondContact O-CG 3.21Å; I245-Q249 PolarHBondContact O-N 2.98Å; R246-Q249 PolarHBondContact O-N 3.26Å; Q249-R251 VanDerWaalsContact C-N 3.34Å; Q249-R251 PolarHBondContact O-N 3.03Å; Q249-R252 PolarHBondContact O-N 2.95Å; Q249-K253 WeakPolarHBondContact O-CG 3.46Å; Q249-K253 PolarHBondContact O-N 3.5Å
250A74.1Confident74.7Confident59 Ų59111.7 Ų111.749%0.48855%0.551SS.*Hα-helixtrans-62.1-41.5174.600000111.7R246 G247 K253 S254R246-A250 WeakPolarHBondContact O-CB 3.44Å; R246-A250 PolarHBondContact O-N 3.15Å; G247-A250 PolarHBondContact O-N 3.1Å; A250-K253 PolarHBondContact O-N 3.05Å; A250-S254 PolarHBondContact O-N 3.42Å; A250-S254 PolarHBondContact O-OG 2.85Å
251R75.4Confident74.9Confident185 Ų185111.1 Ų111.170%0.69855%0.549SS*.Hα-helixtrans-67.7-37.9177-148.9-171.6-155.4-129.26.8112.8G247 V248 Q249 S254 I255G247-R251 WeakPolarHBondContact O-CB 3.47Å; G247-R251 PolarHBondContact O-N 2.99Å; V248-R251 PolarHBondContact O-N 3.29Å; Q249-R251 VanDerWaalsContact C-N 3.34Å; Q249-R251 PolarHBondContact O-N 3.03Å; R251-S254 WeakPolarHBondContact CA-OG 3.5Å; R251-S254 PolarHBondContact O-OG 3.24Å; R251-I255 HydrophobicContact CG-CD1 4.46Å; R251-I255 WeakPolarHBondContact O-CD1 3.48Å; R251-I255 VanDerWaalsContact O-CG1 3.23Å; R251-I255 WeakPolarHBondContact O-CG1 3.36Å; R251-I255 PolarHBondContact O-N 3.33Å; R251-I255 VanDerWaalsContact O-N 3.07Å
252R75.8Confident75.2Confident192 Ų192110.9 Ų110.973%0.72555%0.549SS*.Hα-helixtrans-65.2-43.6173.1-82.8-172.2176-164.8-0.2111.3V248 Q249 I255 C256V248-R252 WeakPolarHBondContact O-CB 3.41Å; V248-R252 PolarHBondContact O-N 3.42Å; Q249-R252 PolarHBondContact O-N 2.95Å; R252-I255 PolarHBondContact O-N 3.03Å; R252-C256 WeakPolarHBondContact O-CB 3.48Å; R252-C256 PolarHBondContact O-N 3.11Å
253K79.3Confident74.9Confident159 Ų159111.5 Ų111.569%0.69156%0.555SS**Hα-helixtrans-60.5-44.9175-77.8-173.8177.1-172.10111.7Q249 A250 I255 C256 E257Q249-K253 WeakPolarHBondContact O-CG 3.46Å; Q249-K253 PolarHBondContact O-N 3.5Å; A250-K253 PolarHBondContact O-N 3.05Å; K253-I255 PolarHBondContact O-N 3.35Å; K253-C256 PolarHBondContact O-N 3.34Å; K253-E257 WeakPolarHBondContact O-CG 3.42Å; K253-E257 PolarHBondContact O-N 3.23Å
254S77.8Confident74.6Confident55 Ų55111.8 Ų111.839%0.38556%0.557SS.*Hα-helixtrans-64-40178.366.10000112.8A250 R251 I258A250-S254 PolarHBondContact O-N 3.42Å; A250-S254 PolarHBondContact O-OG 2.85Å; R251-S254 WeakPolarHBondContact CA-OG 3.5Å; R251-S254 PolarHBondContact O-OG 3.24Å; S254-I258 WeakPolarHBondContact O-CD1 3.43Å; S254-I258 WeakPolarHBondContact O-CG1 3.49Å; S254-I258 PolarHBondContact O-N 3.31Å
255I78.2Confident74.3Confident97 Ų97115.8 Ų115.850%0.49757%0.565SS.*Hα-helixtrans-66.8-37.5177.4-68.2166.5000111.2R251 R252 K253 R259R251-I255 HydrophobicContact CG-CD1 4.46Å; R251-I255 WeakPolarHBondContact O-CD1 3.48Å; R251-I255 VanDerWaalsContact O-CG1 3.23Å; R251-I255 WeakPolarHBondContact O-CG1 3.36Å; R251-I255 PolarHBondContact O-N 3.33Å; R251-I255 VanDerWaalsContact O-N 3.07Å; R252-I255 PolarHBondContact O-N 3.03Å; K253-I255 PolarHBondContact O-N 3.35Å; I255-R259 PolarHBondContact O-N 2.92Å; I255-R259 VanDerWaalsContact O-N 3.07Å
256C72.3Confident73.8Confident87 Ų87119 Ų11959%0.58858%0.583SS**Hα-helixtrans-69.9-40.5178-157.40000112.1R252 K253 R259 K260R252-C256 WeakPolarHBondContact O-CB 3.48Å; R252-C256 PolarHBondContact O-N 3.11Å; K253-C256 PolarHBondContact O-N 3.34Å; C256-R259 PolarHBondContact O-N 3.04Å; C256-K260 WeakPolarHBondContact O-CB 3.3Å; C256-K260 PolarHBondContact O-N 3.1Å
257E79Confident72.7Confident108 Ų108115.4 Ų115.451%0.50558%0.583SS.*Hα-helixtrans-62.4-41.3173-78.6-65137.100112.6K253 K260 K261K253-E257 WeakPolarHBondContact O-CG 3.42Å; K253-E257 PolarHBondContact O-N 3.23Å; E257-K260 PolarHBondContact O-N 3.04Å; E257-K261 PolarHBondContact O-N 2.82Å
258I77.4Confident71.7Confident100 Ų100119.9 Ų119.951%0.51359%0.592SS.*Hα-helixtrans-61.2-49.6174.8-69.3163.2000110.1S254 K260 K261 D262S254-I258 WeakPolarHBondContact O-CD1 3.43Å; S254-I258 WeakPolarHBondContact O-CG1 3.49Å; S254-I258 PolarHBondContact O-N 3.31Å; I258-K260 VanDerWaalsContact C-N 3.27Å; I258-K260 PolarHBondContact O-N 3.39Å; I258-K261 PolarHBondContact O-N 3.23Å; I258-K261 VanDerWaalsContact O-N 3.1Å; I258-D262 PolarHBondContact O-N 3.39Å
259R73Confident70.6Confident181 Ų181120.8 Ų120.868%0.68360%0.6SS**Hα-helixtrans-61.8-33.4179.4-167.7176.5-173.5168.32.3113.1I255 C256 M263I255-R259 PolarHBondContact O-N 2.92Å; I255-R259 VanDerWaalsContact O-N 3.07Å; C256-R259 PolarHBondContact O-N 3.04Å; R259-M263 WeakPolarHBondContact O-CG 3.47Å; R259-M263 PolarHBondContact O-N 3.3Å; R259-M263 VanDerWaalsContact O-N 3.15Å
260K76.7Confident69.1Low145 Ų145120.9 Ų120.963%0.6361%0.61SS**Hα-helixtrans-69.2-39.7175.5-171.6179.4176.8-176.60111.8C256 E257 I258 A264C256-K260 WeakPolarHBondContact O-CB 3.3Å; C256-K260 PolarHBondContact O-N 3.1Å; E257-K260 PolarHBondContact O-N 3.04Å; I258-K260 VanDerWaalsContact C-N 3.27Å; I258-K260 PolarHBondContact O-N 3.39Å; K260-A264 WeakPolarHBondContact O-CB 3.45Å; K260-A264 PolarHBondContact O-N 3.25Å
261K74.6Confident68.1Low148 Ų148126.1 Ų126.164%0.64363%0.63SS**Hα-helixtrans-65.6-40.4174.1-75.7-178.5177.5-179.30112.2E257 I258 M263 A264 H265E257-K261 PolarHBondContact O-N 2.82Å; I258-K261 PolarHBondContact O-N 3.23Å; I258-K261 VanDerWaalsContact O-N 3.1Å; K261-M263 PolarHBondContact O-N 3.33Å; K261-A264 PolarHBondContact O-N 2.83Å; K261-H265 WeakPolarHBondContact O-CB 3.45Å; K261-H265 PolarHBondContact O-N 3.43Å
262D73.1Confident66.7Low99 Ų99125.1 Ų125.153%0.52964%0.638SS.*Hα-helixtrans-64.1-41.1177.6-63.5-26.5000111.8I258 H265 L266I258-D262 PolarHBondContact O-N 3.39Å; D262-H265 PolarHBondContact O-N 3.02Å; D262-L266 PolarHBondContact O-N 3.46Å; D262-L266 VanDerWaalsContact O-N 3.11Å
263M67.1Low65.2Low125 Ų125119.1 Ų119.162%0.61664%0.635SS**Hα-helixtrans-66.7-36.1173.9-78.4-75.6-168.100113.1R259 K261 H265 L266 S267R259-M263 WeakPolarHBondContact O-CG 3.47Å; R259-M263 PolarHBondContact O-N 3.3Å; R259-M263 VanDerWaalsContact O-N 3.15Å; K261-M263 PolarHBondContact O-N 3.33Å; M263-H265 VanDerWaalsContact C-N 3.33Å; M263-L266 PolarHBondContact O-N 3.22Å; M263-S267 PolarHBondContact O-N 3.13Å; M263-S267 PolarHBondContact O-OG 3.43Å
264A65.9Low63.1Low57 Ų57121.9 Ų121.947%0.47164%0.641SS.*Hα-helixtrans-68.3-33.1174.600000112.2K260 K261 S267K260-A264 WeakPolarHBondContact O-CB 3.45Å; K260-A264 PolarHBondContact O-N 3.25Å; K261-A264 PolarHBondContact O-N 2.83Å; A264-S267 WeakPolarHBondContact CA-OG 3.21Å; A264-S267 PolarHBondContact O-OG 3.28Å; A264-S267 VanDerWaalsContact O-OG 3.11Å
265H63.7Low61.5Low143 Ų143125.6 Ų125.666%0.66266%0.662SS**Hα-helixtrans-74.3-27.5176.4-160.4-75.3000112.6K261 D262 M263K261-H265 WeakPolarHBondContact O-CB 3.45Å; K261-H265 PolarHBondContact O-N 3.43Å; D262-H265 PolarHBondContact O-N 3.02Å; M263-H265 VanDerWaalsContact C-N 3.33Å
266L63.4Low59.5Low154 Ų154129 Ų12981%0.80668%0.676SS**Hα-helixtrans-82.7-12.9176.5-139.177.2000113.7D262 M263D262-L266 PolarHBondContact O-N 3.46Å; D262-L266 VanDerWaalsContact O-N 3.11Å; M263-L266 PolarHBondContact O-N 3.22Å
267S54.5Low57.8Low88 Ų88130.3 Ų130.362%0.61569%0.686SS**SBendtrans-98.81.6178.544.10000113.8M263 A264 P269M263-S267 PolarHBondContact O-N 3.13Å; M263-S267 PolarHBondContact O-OG 3.43Å; A264-S267 WeakPolarHBondContact CA-OG 3.21Å; A264-S267 PolarHBondContact O-OG 3.28Å; A264-S267 VanDerWaalsContact O-OG 3.11Å; S267-P269 WeakPolarHBondContact O-CD 3.42Å
268Q54.8Low56Low136 Ų136130.4 Ų130.464%0.63670%0.698SS**SBendtrans-75.1119.7165.3-87.4-179.3-41.200109.4
269P50.9Low54.2Low104 Ų104135.2 Ų135.268%0.67572%0.719SS**PPolyproline II helixtrans-63.9151.117228.5-32.2000109.2S267 N271S267-P269 WeakPolarHBondContact O-CD 3.42Å; P269-N271 PolarHBondContact O-N 3.34Å
270P45.1Very low52.9Low117 Ų117131.8 Ų131.876%0.7672%0.722SS**PPolyproline II helixtrans-58.2129.117525-31.8000108.6L272P270-L272 PolarHBondContact O-N 3.47Å
271N53.2Low51.1Low168 Ų168129.2 Ų129.290%0.89873%0.728SS**  trans-63.694.3165-86.3-67.1000106.9P269 G273P269-N271 PolarHBondContact O-N 3.34Å; N271-G273 PolarHBondContact O-N 3.32Å
272L44.5Very low49.4Very low165 Ų165132.6 Ų132.686%0.86474%0.738SS**  trans-66.8104.8171.5-157.675.4000106.5P270 R274P270-L272 PolarHBondContact O-N 3.47Å; L272-R274 PolarHBondContact O-N 3.32Å
273G45.1Very low47.9Very low65 Ų65138.3 Ų138.367%0.6778%0.776SS**  trans-53.6123.8177.200000110.4N271 T275N271-G273 PolarHBondContact O-N 3.32Å; G273-T275 PolarHBondContact O-N 3.09Å
274R34.9Very low46.9Very low217 Ų217139 Ų13982%0.81978%0.784SS**  trans-85.494.5165-164178-170.7111.2-1.5107L272 Q276L272-R274 PolarHBondContact O-N 3.32Å; R274-Q276 PolarHBondContact O-N 3.08Å
275T43.7Very low45.9Very low134 Ų134143.3 Ų143.382%0.82280%0.801SS**  trans-64.6112.8157.1440000106.9G273G273-T275 PolarHBondContact O-N 3.09Å
276Q36.2Very low44.9Very low169 Ų169143.3 Ų143.379%0.7981%0.808SS**  trans-92.3114.5158.5-87.4-169.362.600107.3R274R274-Q276 PolarHBondContact O-N 3.08Å
277S37.6Very low43.8Very low113 Ų113142.6 Ų142.679%0.7981%0.808SS**  trans-62.1141.9171.1-174.70000110.3
278S41.3Very low43.2Very low110 Ų110146.1 Ų146.177%0.76982%0.821SS**  trans-55.6139.6165.2-65.20000111.4
279E39.6Very low42.4Very low202 Ų202146.7 Ų146.794%0.94483%0.833SS**  trans-150.1149139-125.7175.5128.600111.7
280S44.5Very low41.8Very low108 Ų108149.8 Ų149.876%0.75584%0.844SS**  trans-88.3151.1-160.5179.60000113.5
281A39.4Very low41.5Very low91 Ų91152.3 Ų152.375%0.75285%0.851SS**  trans-169.6127.3143.900000113.4
282Y38.3Very low40.6Very low220 Ų220151 Ų15186%0.86385%0.847SS**  trans-17.5134155-57.9-96000117.9
283V41.7Very low40.2Very low218 Ų218149.7 Ų149.7100%1.32185%0.845SS**  -178.60106.1160.20000108.1

Retrieved 283 of 283 residues in 212.3 ms (Link to these results)

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