A0A3Q0KBF4_SCHMA Loading...

Adenine DNA glycosylase

Adenine glycosylase active on G-A mispairs.

AlphaFold DB , UniProt , Accession A0A3Q0KBF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 482 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
1M72.5Confident92.8Very high168 Ų16862.8 Ų62.883%0.82837%0.368SS*.  0139.20-85-176.4179.700108.2Y179 L249M1-Y179 HydrophobicContact CE-CD2 4.44Å; M1-Y179 HydrophobicContact CE-CE2 4.47Å; M1-Y179 HydrophobicContact SD-CE2 3.99Å; M1-L249 HydrophobicContact CE-CD1 4.03Å; M1-L249 HydrophobicContact CE-CG 4.47Å; M1-L249 HydrophobicContact SD-CD1 3.91Å
2C85.8Confident93.3Very high8 Ų859.6 Ų59.65%0.05435%0.348CS..  trans-61.3138.4175.7-580000111I4 H5 T242 C247C2-I4 HydrophobicContact CB-CG2 3.86Å; C2-I4 PolarHBondContact O-N 3.49Å; C2-H5 PolarHBondContact O-N 2.83Å; C2-T242 PolarHBondContact SG-O 3.49Å; C2-C247 WeakPolarHBondContact SG-CB 3.44Å
3S89.5Confident93.6Very high103 Ų10364.3 Ų64.372%0.7236%0.364SS*.G310 helixtrans-65.4-22.3178.354.40000112.9H5 S6S3-H5 PolarHBondContact O-N 3.2Å; S3-H5 VanDerWaalsContact O-N 3.16Å; S3-S6 PolarHBondContact O-N 3.23Å; S3-S6 PolarHBondContact O-OG 2.79Å; S3-S6 VanDerWaalsContact O-OG 3.06Å
4I92.8Very high94Very high32 Ų3266.4 Ų66.416%0.16437%0.368CS..G310 helixtrans-61.9-22.2179-158.9166.8000113.5C2 S6 R165 Q166 E227C2-I4 HydrophobicContact CB-CG2 3.86Å; C2-I4 PolarHBondContact O-N 3.49Å; I4-S6 VanDerWaalsContact C-N 3.31Å; I4-R165 CarbonylContact O-C 3.53Å; I4-R165 WeakPolarHBondContact O-CA 3.27Å; I4-R165 WeakPolarHBondContact O-CB 3.17Å; I4-R165 WeakPolarHBondContact O-CD 3.36Å; I4-Q166 HydrophobicContact CD1-CG 4.3Å; I4-E227 HydrophobicContact CD1-CB 4.02Å; I4-E227 HydrophobicContact CD1-CG 4.27Å; I4-E227 HydrophobicContact CG1-CB 3.94Å; I4-E227 HydrophobicContact CG1-CG 3.75Å
5H95.3Very high94.3Very high1 Ų162 Ų621%0.00534%0.343CS..G310 helixtrans-80.2-12.8-179.1-56.3-43.3000113.6C2 S3 R165 Q166 I167 Y179 C247 L249 C250C2-H5 PolarHBondContact O-N 2.83Å; S3-H5 PolarHBondContact O-N 3.2Å; S3-H5 VanDerWaalsContact O-N 3.16Å; H5-R165 WeakPolarHBondContact CA-O 3.44Å; H5-R165 PolarHBondContact ND1-O 3.18Å; H5-Q166 PolarHBondContact CE1-O 2.92Å; H5-Q166 PolarHBondContact ND1-O 3.22Å; H5-I167 HydrophobicContact CB-CG1 4.5Å; H5-Y179 HydrophobicContact CB-CE1 4.44Å; H5-Y179 WeakPolarHBondContact CB-OH 3.49Å; H5-Y179 PolarHBondContact O-OH 3.08Å; H5-C247 PolarHBondContact NE2-SG 3.32Å; H5-L249 HydrophobicContact CB-CD1 4.12Å; H5-L249 VanDerWaalsContact CD2-CB 3.5Å; H5-L249 WeakPolarHBondContact CD2-CB 3.31Å; H5-C250 PolarHBondContact NE2-SG 3.17Å
6S95.7Very high94.6Very high51 Ų5161.4 Ų61.436%0.35733%0.334SS..SBendtrans-112.1171.7-178.564.20000112.5S3 I4 R165S3-S6 PolarHBondContact O-N 3.23Å; S3-S6 PolarHBondContact O-OG 2.79Å; S3-S6 VanDerWaalsContact O-OG 3.06Å; I4-S6 VanDerWaalsContact C-N 3.31Å; S6-R165 WeakPolarHBondContact O-CD 3.34Å; S6-R165 PolarHBondContact O-NH1 2.94Å
7F97.5Very high94.8Very high21 Ų2165.2 Ų65.29%0.09235%0.349CS..  trans-113.6139.8172-65.9-89000109.6Q11 I12 L15 L164 R165 L183 L187F7-Q11 HydrophobicContact CB-CB 4.26Å; F7-Q11 HydrophobicContact CD1-CB 4.03Å; F7-I12 HydrophobicContact CB-CD1 4.3Å; F7-I12 HydrophobicContact CB-CG1 3.65Å; F7-L15 HydrophobicContact CD1-CD1 4.38Å; F7-L15 HydrophobicContact CE1-CD1 3.72Å; F7-L15 HydrophobicContact CZ-CD1 3.82Å; F7-L164 HydrophobicContact CZ-CB 4Å; F7-L164 HydrophobicContact CZ-CD1 4.08Å; F7-R165 HydrophobicContact CD2-CG 4Å; F7-R165 HydrophobicContact CE1-CG 4.08Å; F7-R165 HydrophobicContact CE2-CG 3.3Å; F7-R165 VanDerWaalsContact CZ-CD 3.47Å; F7-R165 HydrophobicContact CZ-CG 3.36Å; F7-L183 HydrophobicContact CD2-CD1 3.82Å; F7-L183 HydrophobicContact CD2-CG 4.42Å; F7-L183 HydrophobicContact CE2-CD1 4.2Å; F7-L183 HydrophobicContact CE2-CD2 4.19Å; F7-L183 HydrophobicContact CE2-CG 4.34Å; F7-L187 HydrophobicContact CB-CD2 4.44Å; F7-L187 HydrophobicContact CD2-CD1 4.19Å; F7-L187 HydrophobicContact CD2-CD2 3.75Å; F7-L187 HydrophobicContact CD2-CG 4.4Å; F7-L187 HydrophobicContact CE2-CD1 3.8Å; F7-L187 HydrophobicContact CE2-CD2 4.12Å; F7-L187 HydrophobicContact CE2-CG 4.49Å; F7-L187 HydrophobicContact CG-CD2 4.09Å; F7-L187 HydrophobicContact CZ-CD1 4.46Å
8T97.5Very high95Very high81 Ų8162.8 Ų62.850%0.49734%0.338SS..  trans-78161.4165.768.30000110.5N10 Q11 I12T8-N10 VanDerWaalsContact C-N 3.32Å; T8-N10 PolarHBondContact O-N 2.88Å; T8-Q11 WeakPolarHBondContact O-CA 3.38Å; T8-Q11 WeakPolarHBondContact O-CB 3.45Å; T8-Q11 PolarHBondContact O-N 3.19Å; T8-Q11 VanDerWaalsContact OG1-CG 3.32Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.27Å; T8-Q11 PolarHBondContact OG1-N 2.93Å; T8-I12 WeakPolarHBondContact O-CG1 3.31Å; T8-I12 PolarHBondContact O-N 3.18Å
9S97.6Very high95.2Very high93 Ų9359.5 Ų59.565%0.6532%0.32SS*.Hα-helixtrans-54.2-46-179.4-49.40000112.9Q11 I12 E13S9-Q11 VanDerWaalsContact C-N 3.3Å; S9-Q11 PolarHBondContact O-N 3.31Å; S9-I12 WeakPolarHBondContact O-CB 3.16Å; S9-I12 PolarHBondContact O-N 2.73Å; S9-I12 VanDerWaalsContact O-N 3.08Å; S9-E13 PolarHBondContact O-N 2.9Å
10N98Very high95.4Very high90 Ų9057.2 Ų57.248%0.48131%0.308SS..Hα-helixtrans-61.5-35.7175.7-179.838.2000112.7T8 K14T8-N10 VanDerWaalsContact C-N 3.32Å; T8-N10 PolarHBondContact O-N 2.88Å; N10-K14 WeakPolarHBondContact O-CG 3.2Å; N10-K14 PolarHBondContact O-N 3.35Å; N10-K14 VanDerWaalsContact O-N 3.11Å; N10-K14 WeakPolarHBondContact OD1-CE 3.36Å
11Q98.3Very high95.5Very high43 Ų4358.2 Ų58.220%0.20131%0.313CS..Hα-helixtrans-69.3-34.8175.1-71.1173-24.200111.9F7 T8 S9 L15 L225F7-Q11 HydrophobicContact CB-CB 4.26Å; F7-Q11 HydrophobicContact CD1-CB 4.03Å; T8-Q11 WeakPolarHBondContact O-CA 3.38Å; T8-Q11 WeakPolarHBondContact O-CB 3.45Å; T8-Q11 PolarHBondContact O-N 3.19Å; T8-Q11 VanDerWaalsContact OG1-CG 3.32Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.27Å; T8-Q11 PolarHBondContact OG1-N 2.93Å; S9-Q11 VanDerWaalsContact C-N 3.3Å; S9-Q11 PolarHBondContact O-N 3.31Å; Q11-L15 VanDerWaalsContact O-CB 3.23Å; Q11-L15 WeakPolarHBondContact O-CB 3.36Å; Q11-L15 PolarHBondContact O-N 3.42Å; Q11-L225 HydrophobicContact CB-CD2 3.73Å; Q11-L225 HydrophobicContact CG-CD2 3.73Å
12I98.7Very high96.8Very high24 Ų2452.1 Ų52.112%0.12328%0.281CS..Hα-helixtrans-64.9-46.4176.3-62.7178.5000110.4F7 T8 S9 L15 R16 L187F7-I12 HydrophobicContact CB-CD1 4.3Å; F7-I12 HydrophobicContact CB-CG1 3.65Å; T8-I12 WeakPolarHBondContact O-CG1 3.31Å; T8-I12 PolarHBondContact O-N 3.18Å; S9-I12 WeakPolarHBondContact O-CB 3.16Å; S9-I12 PolarHBondContact O-N 2.73Å; S9-I12 VanDerWaalsContact O-N 3.08Å; I12-L15 WeakPolarHBondContact O-CB 3.42Å; I12-L15 PolarHBondContact O-N 3.25Å; I12-R16 VanDerWaalsContact CG2-CZ 3.5Å; I12-R16 WeakPolarHBondContact O-CG 3.25Å; I12-R16 PolarHBondContact O-N 3.14Å; I12-L187 HydrophobicContact CB-CD2 4.45Å; I12-L187 HydrophobicContact CD1-CD2 4.37Å; I12-L187 HydrophobicContact CG1-CD2 3.82Å; I12-L187 HydrophobicContact CG2-CD2 4.25Å
13E98.4Very high97.4Very high121 Ų12151.9 Ų51.957%0.56528%0.278SS*.Hα-helixtrans-59.8-51177.6-71.7170.4-177.900111.5S9 L15 R16 E17S9-E13 PolarHBondContact O-N 2.9Å; E13-L15 VanDerWaalsContact C-N 3.28Å; E13-L15 PolarHBondContact O-N 3.12Å; E13-R16 PolarHBondContact O-N 2.93Å; E13-E17 PolarHBondContact O-N 3.38Å
14K98.3Very high97.8Very high94 Ų9450.2 Ų50.241%0.40926%0.261SS..Hα-helixtrans-59.8-37176-73.1-178.2-179.5-173.40113.1N10 S18 L225N10-K14 WeakPolarHBondContact O-CG 3.2Å; N10-K14 PolarHBondContact O-N 3.35Å; N10-K14 VanDerWaalsContact O-N 3.11Å; N10-K14 WeakPolarHBondContact OD1-CE 3.36Å; K14-S18 WeakPolarHBondContact O-CB 3.48Å; K14-S18 PolarHBondContact O-N 2.99Å; K14-L225 HydrophobicContact CB-CD1 4.44Å
15L98.7Very high98.1Very high0 Ų058.6 Ų58.60%029%0.291CS..Hα-helixtrans-62.9-51.4176.8-174.6154.5000110.1F7 Q11 I12 E13 L19 L164 L187 F196 L220 L225F7-L15 HydrophobicContact CD1-CD1 4.38Å; F7-L15 HydrophobicContact CE1-CD1 3.72Å; F7-L15 HydrophobicContact CZ-CD1 3.82Å; Q11-L15 VanDerWaalsContact O-CB 3.23Å; Q11-L15 WeakPolarHBondContact O-CB 3.36Å; Q11-L15 PolarHBondContact O-N 3.42Å; I12-L15 WeakPolarHBondContact O-CB 3.42Å; I12-L15 PolarHBondContact O-N 3.25Å; E13-L15 VanDerWaalsContact C-N 3.28Å; E13-L15 PolarHBondContact O-N 3.12Å; L15-L19 HydrophobicContact CD2-CD2 4.19Å; L15-L19 WeakPolarHBondContact O-CB 3.18Å; L15-L19 PolarHBondContact O-N 3.31Å; L15-L164 HydrophobicContact CD1-CD1 4.15Å; L15-L187 HydrophobicContact CD1-CD1 4.42Å; L15-L187 HydrophobicContact CD1-CD2 4.28Å; L15-F196 HydrophobicContact CD2-CE2 3.5Å; L15-F196 VanDerWaalsContact CD2-CE2 3.5Å; L15-F196 HydrophobicContact CD2-CZ 3.64Å; L15-L220 HydrophobicContact CG-CD1 4.35Å; L15-L220 HydrophobicContact CG-CD2 4.02Å; L15-L225 HydrophobicContact CB-CD1 3.75Å; L15-L225 HydrophobicContact CG-CD1 4.38Å
16R98.7Very high98.1Very high52 Ų5261 Ų6120%0.19631%0.308CS..Hα-helixtrans-58.6-52-179.5-72.4167.8174.9166.3-1.3111.1I12 E13 L19 L20 K186 L187 V188 D189 F196I12-R16 VanDerWaalsContact CG2-CZ 3.5Å; I12-R16 WeakPolarHBondContact O-CG 3.25Å; I12-R16 PolarHBondContact O-N 3.14Å; E13-R16 PolarHBondContact O-N 2.93Å; R16-L19 PolarHBondContact O-N 2.96Å; R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.19Å; R16-L20 VanDerWaalsContact O-CG 3.25Å; R16-L20 WeakPolarHBondContact O-CG 3.3Å; R16-L20 PolarHBondContact O-N 3.11Å; R16-K186 PolarHBondContact NH2-O 2.97Å; R16-L187 PolarHBondContact NE-O 3.41Å; R16-L187 PolarHBondContact NH2-O 3.05Å; R16-V188 PolarHBondContact NE-O 2.93Å; R16-V188 PolarHBondContact NH2-O 3.11Å; R16-D189 WeakPolarHBondContact CD-OD2 3.28Å; R16-D189 HydrophobicContact CG-CB 4.21Å; R16-F196 HydrophobicContact CG-CD2 4.09Å; R16-F196 HydrophobicContact CG-CE2 3.78Å
17E98.6Very high98.1Very high127 Ų12762.9 Ų62.959%0.59331%0.31SS*.Hα-helixtrans-59.9-54.8-178.5-175-174-174.300111.9E13 L19 L20 L21E13-E17 PolarHBondContact O-N 3.38Å; E17-L19 VanDerWaalsContact C-N 3.33Å; E17-L19 PolarHBondContact O-N 3.49Å; E17-L20 PolarHBondContact O-N 3.23Å; E17-L21 HydrophobicContact CG-CD1 3.89Å; E17-L21 WeakPolarHBondContact O-CB 3.43Å; E17-L21 VanDerWaalsContact O-CG 3.31Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.8Å
18S98.7Very high98.1Very high21 Ų2166 Ų6615%0.14732%0.321CS..Hα-helixtrans-63.3-39.7-177-176.80000112.2K14 W22 P219K14-S18 WeakPolarHBondContact O-CB 3.48Å; K14-S18 PolarHBondContact O-N 2.99Å; S18-W22 WeakPolarHBondContact O-CB 3.46Å; S18-W22 PolarHBondContact O-N 2.98Å; S18-W22 VanDerWaalsContact O-N 3.14Å; S18-P219 PolarHBondContact OG-O 3.21Å
19L98.8Very high98Very high0 Ų067.8 Ų67.80%033%0.328CS..Hα-helixtrans-67.9-46.7179.6-174.761.9000112L15 R16 E17 W22 Y23 F196 A199 L200 L203 L220L15-L19 HydrophobicContact CD2-CD2 4.19Å; L15-L19 WeakPolarHBondContact O-CB 3.18Å; L15-L19 PolarHBondContact O-N 3.31Å; R16-L19 PolarHBondContact O-N 2.96Å; E17-L19 VanDerWaalsContact C-N 3.33Å; E17-L19 PolarHBondContact O-N 3.49Å; L19-W22 HydrophobicContact CD1-CE3 4.17Å; L19-W22 HydrophobicContact CD1-CZ3 4.47Å; L19-W22 PolarHBondContact O-N 2.98Å; L19-Y23 WeakPolarHBondContact O-CB 3.36Å; L19-Y23 PolarHBondContact O-N 3.12Å; L19-F196 HydrophobicContact CD2-CD2 4.19Å; L19-F196 HydrophobicContact CD2-CE2 3.89Å; L19-F196 HydrophobicContact CD2-CZ 4.28Å; L19-A199 HydrophobicContact CD1-CB 4.05Å; L19-A199 HydrophobicContact CD2-CB 4.05Å; L19-A199 HydrophobicContact CG-CB 3.64Å; L19-L200 HydrophobicContact CD2-CB 4.1Å; L19-L200 HydrophobicContact CD2-CD1 3.86Å; L19-L203 HydrophobicContact CD1-CB 4.14Å; L19-L203 HydrophobicContact CD1-CD2 4Å; L19-L220 HydrophobicContact CB-CD2 4.18Å
20L98.8Very high98Very high13 Ų1363.7 Ų63.77%0.06830%0.299CS..Hα-helixtrans-67.5-43.8-179.2-71.7171.4000111.4R16 E17 W22 Y23 D24 D189 R192 D195 F196R16-L20 VanDerWaalsContact O-CB 3.3Å; R16-L20 WeakPolarHBondContact O-CB 3.19Å; R16-L20 VanDerWaalsContact O-CG 3.25Å; R16-L20 WeakPolarHBondContact O-CG 3.3Å; R16-L20 PolarHBondContact O-N 3.11Å; E17-L20 PolarHBondContact O-N 3.23Å; L20-W22 VanDerWaalsContact C-N 3.29Å; L20-W22 PolarHBondContact O-N 2.93Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.12Å; L20-D24 PolarHBondContact O-N 3.16Å; L20-D189 HydrophobicContact CD1-CB 4.26Å; L20-R192 HydrophobicContact CD1-CB 4.4Å; L20-R192 HydrophobicContact CD2-CB 4.48Å; L20-D195 HydrophobicContact CD2-CB 3.89Å; L20-F196 HydrophobicContact CD2-CB 4.27Å
21L98.6Very high98Very high80 Ų8060 Ų6042%0.41928%0.279SS..Hα-helixtrans-58.9-41175.5-76.7173.8000112.2E17 R25E17-L21 HydrophobicContact CG-CD1 3.89Å; E17-L21 WeakPolarHBondContact O-CB 3.43Å; E17-L21 VanDerWaalsContact O-CG 3.31Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.8Å; L21-R25 WeakPolarHBondContact O-CG 3.31Å
22W98.6Very high97.9Very high40 Ų4058.6 Ų58.615%0.15227%0.272CS..Hα-helixtrans-66.1-43.5174.9168.380.1000111.8S18 L19 L20 R25 S26 E202 L203 V206 P219S18-W22 WeakPolarHBondContact O-CB 3.46Å; S18-W22 PolarHBondContact O-N 2.98Å; S18-W22 VanDerWaalsContact O-N 3.14Å; L19-W22 HydrophobicContact CD1-CE3 4.17Å; L19-W22 HydrophobicContact CD1-CZ3 4.47Å; L19-W22 PolarHBondContact O-N 2.98Å; L20-W22 VanDerWaalsContact C-N 3.29Å; L20-W22 PolarHBondContact O-N 2.93Å; W22-R25 PolarHBondContact O-N 2.84Å; W22-S26 PolarHBondContact NE1-OG 3.16Å; W22-S26 WeakPolarHBondContact O-CB 3.38Å; W22-S26 PolarHBondContact O-N 3.26Å; W22-S26 PolarHBondContact O-OG 2.89Å; W22-E202 HydrophobicContact CH2-CB 4.04Å; W22-E202 HydrophobicContact CH2-CG 3.8Å; W22-E202 HydrophobicContact CZ3-CB 4.13Å; W22-E202 HydrophobicContact CZ3-CG 4.27Å; W22-L203 HydrophobicContact CH2-CB 4.09Å; W22-L203 HydrophobicContact CH2-CD1 4.26Å; W22-L203 HydrophobicContact CZ2-CD1 4.39Å; W22-L203 HydrophobicContact CZ3-CB 3.91Å; W22-L203 HydrophobicContact CZ3-CD1 4.33Å; W22-V206 HydrophobicContact CH2-CG2 4.02Å; W22-V206 HydrophobicContact CZ2-CG2 3.85Å; W22-P219 HydrophobicContact CB-CB 3.69Å; W22-P219 HydrophobicContact CB-CG 3.74Å; W22-P219 HydrophobicContact CD2-CG 3.88Å; W22-P219 HydrophobicContact CE3-CG 4.38Å; W22-P219 HydrophobicContact CG-CB 3.95Å; W22-P219 HydrophobicContact CG-CG 3.56Å
23Y98.6Very high97.9Very high2 Ų258.9 Ų58.91%0.00827%0.272CS..Hα-helixtrans-63.2-42.9-178.8-177.2-111.5000112L19 L20 R25 S26 K27 R33 D195 Q198 A199 E202L19-Y23 WeakPolarHBondContact O-CB 3.36Å; L19-Y23 PolarHBondContact O-N 3.12Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.12Å; Y23-R25 PolarHBondContact O-N 2.77Å; Y23-S26 PolarHBondContact O-N 2.94Å; Y23-K27 HydrophobicContact CD1-CB 4.47Å; Y23-K27 HydrophobicContact CD1-CD 3.93Å; Y23-K27 HydrophobicContact CD2-CB 3.66Å; Y23-K27 HydrophobicContact CE1-CB 4.24Å; Y23-K27 HydrophobicContact CE1-CD 3.5Å; Y23-K27 HydrophobicContact CE2-CB 3.4Å; Y23-K27 HydrophobicContact CE2-CD 4.23Å; Y23-K27 HydrophobicContact CE2-CG 4.47Å; Y23-K27 HydrophobicContact CG-CB 4.19Å; Y23-K27 HydrophobicContact CG-CD 4.44Å; Y23-K27 WeakPolarHBondContact O-CB 3.44Å; Y23-K27 VanDerWaalsContact O-CG 3.31Å; Y23-K27 WeakPolarHBondContact O-CG 3.39Å; Y23-K27 PolarHBondContact O-N 2.83Å; Y23-R33 PolarHBondContact OH-NE 3.3Å; Y23-R33 VanDerWaalsContact OH-NE 3.16Å; Y23-D195 HydrophobicContact CD1-CB 4.29Å; Y23-D195 HydrophobicContact CE1-CB 4.17Å; Y23-Q198 HydrophobicContact CE1-CB 4.33Å; Y23-Q198 HydrophobicContact CE2-CB 4.1Å; Y23-Q198 VanDerWaalsContact OH-CB 3.31Å; Y23-Q198 WeakPolarHBondContact OH-CB 2.91Å; Y23-Q198 PolarHBondContact OH-OE1 3.08Å; Y23-A199 VanDerWaalsContact CB-CB 3.49Å; Y23-A199 HydrophobicContact CD1-CB 4.11Å; Y23-A199 VanDerWaalsContact CD2-CA 3.42Å; Y23-A199 HydrophobicContact CD2-CB 3.69Å; Y23-A199 HydrophobicContact CE2-CB 4.43Å; Y23-A199 HydrophobicContact CG-CB 3.5Å; Y23-A199 VanDerWaalsContact CG-CB 3.5Å; Y23-E202 HydrophobicContact CD2-CB 4.11Å; Y23-E202 HydrophobicContact CD2-CG 4.35Å; Y23-E202 HydrophobicContact CE2-CB 3.99Å; Y23-E202 HydrophobicContact CE2-CG 4.26Å
24D98.3Very high97.8Very high68 Ų6859.9 Ų59.936%0.36427%0.27SS..Hα-helixtrans-59.9-30.5178.4-71.2-26.7000112.7L20 R192L20-D24 PolarHBondContact O-N 3.16Å; D24-R192 IonicContact OD1-CZ 2.73Å; D24-R192 IonicContact OD1-NH1 3.74Å; D24-R192 IonicContact OD1-NH2 2.73Å; D24-R192 PolarHBondContact OD1-NH2 3.28Å; D24-R192 IonicContact OD2-CZ 2.89Å; D24-R192 IonicContact OD2-NH1 2.79Å; D24-R192 PolarHBondContact OD2-NH1 3.47Å; D24-R192 IonicContact OD2-NH2 2.93Å; D24-R192 PolarHBondContact OD2-NH2 2.96Å
25R97.7Very high97.7Very high208 Ų20858.1 Ų58.179%0.78526%0.264SS*.Hα-helixtrans-91-25.3178.9-62.4174.8-172.6177.43.1114L21 W22 Y23L21-R25 WeakPolarHBondContact O-CG 3.31Å; W22-R25 PolarHBondContact O-N 2.84Å; Y23-R25 PolarHBondContact O-N 2.77Å
26S96.3Very high97.5Very high53 Ų5358.8 Ų58.837%0.37127%0.269SS..Hα-helixtrans-122.1-9.6-163.3-430000114.5W22 Y23 R28W22-S26 PolarHBondContact NE1-OG 3.16Å; W22-S26 WeakPolarHBondContact O-CB 3.38Å; W22-S26 PolarHBondContact O-N 3.26Å; W22-S26 PolarHBondContact O-OG 2.89Å; Y23-S26 PolarHBondContact O-N 2.94Å; S26-R28 PolarHBondContact O-N 2.81Å
27K96.6Very high97.4Very high90 Ų9063.1 Ų63.139%0.39130%0.296SS..PPolyproline II helixtrans-59.6131.8-178.767-168.8178.2-169.60110.4Y23Y23-K27 HydrophobicContact CD1-CB 4.47Å; Y23-K27 HydrophobicContact CD1-CD 3.93Å; Y23-K27 HydrophobicContact CD2-CB 3.66Å; Y23-K27 HydrophobicContact CE1-CB 4.24Å; Y23-K27 HydrophobicContact CE1-CD 3.5Å; Y23-K27 HydrophobicContact CE2-CB 3.4Å; Y23-K27 HydrophobicContact CE2-CD 4.23Å; Y23-K27 HydrophobicContact CE2-CG 4.47Å; Y23-K27 HydrophobicContact CG-CB 4.19Å; Y23-K27 HydrophobicContact CG-CD 4.44Å; Y23-K27 WeakPolarHBondContact O-CB 3.44Å; Y23-K27 VanDerWaalsContact O-CG 3.31Å; Y23-K27 WeakPolarHBondContact O-CG 3.39Å; Y23-K27 PolarHBondContact O-N 2.83Å
28R96.3Very high97.3Very high86 Ų8659 Ų5933%0.32528%0.278SS..PPolyproline II helixtrans-63.4140.3172.5-65.6169.2-67.6167.22.1110.2S26 L30 R33 E202S26-R28 PolarHBondContact O-N 2.81Å; R28-L30 HydrophobicContact CB-CD1 4.5Å; R28-L30 HydrophobicContact CB-CD2 4.48Å; R28-L30 HydrophobicContact CB-CG 4.22Å; R28-L30 PolarHBondContact O-N 3.34Å; R28-R33 PolarHBondContact O-NH1 2.92Å; R28-E202 WeakPolarHBondContact CG-OE1 3.38Å; R28-E202 IonicContact CZ-OE1 2.61Å; R28-E202 IonicContact CZ-OE2 3.63Å; R28-E202 PolarHBondContact N-OE1 3.24Å; R28-E202 IonicContact NE-OE1 3.56Å; R28-E202 PolarHBondContact NE-OE1 2.95Å; R28-E202 IonicContact NE-OE2 2.83Å; R28-E202 PolarHBondContact NE-OE2 3.12Å; R28-E202 IonicContact NH2-OE1 2.97Å; R28-E202 IonicContact NH2-OE2 3.6Å; R28-E202 PolarHBondContact NH2-OE2 3.41Å
29D95.9Very high97.2Very high118 Ų11863.5 Ų63.563%0.63131%0.307SS*.PPolyproline II helixtrans-72122.9166.6-175.523.4000109.3R34D29-R34 VanDerWaalsContact OD1-CD 3.27Å; D29-R34 WeakPolarHBondContact OD1-CD 3.34Å; D29-R34 WeakPolarHBondContact OD1-CG 3.35Å; D29-R34 IonicContact OD1-NE 3.68Å
30L97.1Very high97.1Very high8 Ų866.4 Ų66.44%0.04232%0.322CS..  trans-137.1140.6-176-63.7171.6000108.7R28 W32 R33 R34 V60 I64R28-L30 HydrophobicContact CB-CD1 4.5Å; R28-L30 HydrophobicContact CB-CD2 4.48Å; R28-L30 HydrophobicContact CB-CG 4.22Å; R28-L30 PolarHBondContact O-N 3.34Å; L30-W32 VanDerWaalsContact C-N 3.3Å; L30-W32 HydrophobicContact CB-CD2 4.17Å; L30-W32 HydrophobicContact CB-CZ2 4.06Å; L30-W32 HydrophobicContact CD1-CZ2 3.73Å; L30-W32 HydrophobicContact CD2-CH2 4.33Å; L30-W32 HydrophobicContact CD2-CZ2 4.02Å; L30-W32 HydrophobicContact CG-CZ2 4.15Å; L30-W32 PolarHBondContact O-N 3.1Å; L30-R33 HydrophobicContact CB-CB 4.33Å; L30-R33 HydrophobicContact CB-CG 4.16Å; L30-R33 WeakPolarHBondContact O-CB 3Å; L30-R33 PolarHBondContact O-N 3.26Å; L30-R34 PolarHBondContact O-N 3.31Å; L30-V60 HydrophobicContact CD1-CG1 4.4Å; L30-V60 HydrophobicContact CD2-CG1 3.7Å; L30-I64 HydrophobicContact CD2-CD1 4.29Å
31P97.5Very high97Very high12 Ų1268.1 Ų68.18%0.07833%0.334CS..Hα-helixtrans-52.5-45.4-176.7-26.833.6000113.7R33 R34 M35 I64 Y67 D68P31-R33 VanDerWaalsContact C-N 3.33Å; P31-R33 PolarHBondContact O-N 3.44Å; P31-R34 WeakPolarHBondContact O-CB 3.41Å; P31-R34 PolarHBondContact O-N 2.91Å; P31-M35 PolarHBondContact O-N 2.7Å; P31-I64 HydrophobicContact CG-CG2 4.13Å; P31-Y67 HydrophobicContact CB-CD1 3.67Å; P31-Y67 HydrophobicContact CB-CE1 3.83Å; P31-D68 VanDerWaalsContact CB-OD1 3.3Å; P31-D68 WeakPolarHBondContact CB-OD1 3.22Å; P31-D68 WeakPolarHBondContact CG-OD1 3.24Å
32W97.4Very high97Very high13 Ų1366.6 Ų66.65%0.04933%0.327CS..Hα-helixtrans-69.1-26.4178.751.488.9000114.1L30 A36 S51 L55 V60 V63 I64 Y67L30-W32 VanDerWaalsContact C-N 3.3Å; L30-W32 HydrophobicContact CB-CD2 4.17Å; L30-W32 HydrophobicContact CB-CZ2 4.06Å; L30-W32 HydrophobicContact CD1-CZ2 3.73Å; L30-W32 HydrophobicContact CD2-CH2 4.33Å; L30-W32 HydrophobicContact CD2-CZ2 4.02Å; L30-W32 HydrophobicContact CG-CZ2 4.15Å; L30-W32 PolarHBondContact O-N 3.1Å; W32-A36 WeakPolarHBondContact O-CB 3.25Å; W32-A36 PolarHBondContact O-N 3.06Å; W32-S51 VanDerWaalsContact CG-CB 3.49Å; W32-L55 HydrophobicContact CH2-CD2 4.33Å; W32-L55 HydrophobicContact CZ2-CD1 4.01Å; W32-L55 HydrophobicContact CZ2-CD2 4.09Å; W32-L55 HydrophobicContact CZ2-CG 4.48Å; W32-V60 HydrophobicContact CH2-CG1 3.99Å; W32-V60 HydrophobicContact CZ2-CG1 3.93Å; W32-V63 HydrophobicContact CE3-CG1 4.49Å; W32-V63 HydrophobicContact CH2-CB 4.19Å; W32-V63 HydrophobicContact CH2-CG1 3.97Å; W32-V63 HydrophobicContact CZ3-CB 4.32Å; W32-V63 HydrophobicContact CZ3-CG1 3.74Å; W32-I64 HydrophobicContact CH2-CG1 3.89Å; W32-I64 HydrophobicContact CZ3-CG1 3.97Å; W32-Y67 HydrophobicContact CB-CE1 4.09Å; W32-Y67 HydrophobicContact CB-CE2 3.92Å; W32-Y67 HydrophobicContact CE3-CD1 4.11Å; W32-Y67 HydrophobicContact CE3-CD2 4.17Å; W32-Y67 AromaticContact CE3-CG 3.88Å; W32-Y67 HydrophobicContact CE3-CG 3.88Å; W32-Y67 HydrophobicContact CZ3-CG 4.44Å
33R97.3Very high96.9Very high31 Ų3167 Ų6712%0.11733%0.332CS..Hα-helixtrans-69.9-36.2172.2-74.8-174.8174.8155.64.5111.7Y23 R28 L30 P31 A36 E202Y23-R33 PolarHBondContact OH-NE 3.3Å; Y23-R33 VanDerWaalsContact OH-NE 3.16Å; R28-R33 PolarHBondContact O-NH1 2.92Å; L30-R33 HydrophobicContact CB-CB 4.33Å; L30-R33 HydrophobicContact CB-CG 4.16Å; L30-R33 WeakPolarHBondContact O-CB 3Å; L30-R33 PolarHBondContact O-N 3.26Å; P31-R33 VanDerWaalsContact C-N 3.33Å; P31-R33 PolarHBondContact O-N 3.44Å; R33-A36 PolarHBondContact O-N 3.47Å; R33-E202 IonicContact CZ-OE1 2.97Å; R33-E202 IonicContact CZ-OE2 3.52Å; R33-E202 IonicContact NH1-OE1 3.16Å; R33-E202 PolarHBondContact NH1-OE1 2.77Å; R33-E202 IonicContact NH1-OE2 2.73Å; R33-E202 VanDerWaalsContact NH2-CD 3.28Å; R33-E202 IonicContact NH2-OE1 2.81Å; R33-E202 IonicContact NH2-OE2 3.49Å; R33-E202 PolarHBondContact NH2-OE2 3.46Å
34R96.5Very high96.9Very high142 Ų14270 Ų7054%0.53634%0.343SS..Hα-helixtrans-67.5-45.4173.6-64-178.8-71.5173.50.4110.6D29 L30 P31 A36 L37D29-R34 VanDerWaalsContact OD1-CD 3.27Å; D29-R34 WeakPolarHBondContact OD1-CD 3.34Å; D29-R34 WeakPolarHBondContact OD1-CG 3.35Å; D29-R34 IonicContact OD1-NE 3.68Å; L30-R34 PolarHBondContact O-N 3.31Å; P31-R34 WeakPolarHBondContact O-CB 3.41Å; P31-R34 PolarHBondContact O-N 2.91Å; R34-A36 VanDerWaalsContact C-N 3.26Å; R34-A36 PolarHBondContact O-N 2.86Å; R34-L37 WeakPolarHBondContact O-CB 3.37Å; R34-L37 PolarHBondContact O-N 2.97Å
35M96.3Very high96.9Very high57 Ų5766.7 Ų66.728%0.28133%0.325SS..Hα-helixtrans-64.4-28.8175.6-71.7-63.1-62.400113.4P31 L37 N38 A47 Y67 M71P31-M35 PolarHBondContact O-N 2.7Å; M35-L37 PolarHBondContact O-N 3.04Å; M35-L37 VanDerWaalsContact O-N 3.14Å; M35-N38 WeakPolarHBondContact O-CB 3.27Å; M35-N38 PolarHBondContact O-N 3.35Å; M35-A47 HydrophobicContact CB-CB 3.59Å; M35-A47 HydrophobicContact CE-CB 4.15Å; M35-A47 HydrophobicContact CG-CB 4.36Å; M35-Y67 HydrophobicContact CG-CE1 4.44Å; M35-M71 HydrophobicContact CE-CE 4.19Å
36A95.3Very high96.9Very high13 Ų1356.9 Ų56.911%0.10729%0.288CS..THydrogen-bonded Turntrans-64.7-11.6173.300000113.5W32 R33 R34 R44 V48 I144W32-A36 WeakPolarHBondContact O-CB 3.25Å; W32-A36 PolarHBondContact O-N 3.06Å; R33-A36 PolarHBondContact O-N 3.47Å; R34-A36 VanDerWaalsContact C-N 3.26Å; R34-A36 PolarHBondContact O-N 2.86Å; A36-R44 WeakPolarHBondContact O-CD 3.35Å; A36-R44 WeakPolarHBondContact O-CG 3.41Å; A36-R44 PolarHBondContact O-NE 3.03Å; A36-V48 HydrophobicContact CB-CG2 3.89Å; A36-I144 HydrophobicContact CB-CG2 3.94Å
37L95.6Very high97Very high144 Ų14454.3 Ų54.375%0.75427%0.27SS*.THydrogen-bonded Turntrans-94.41.2173.9-55.9176.4000113R34 M35R34-L37 WeakPolarHBondContact O-CB 3.37Å; R34-L37 PolarHBondContact O-N 2.97Å; M35-L37 PolarHBondContact O-N 3.04Å; M35-L37 VanDerWaalsContact O-N 3.14Å
38N96.6Very high97.1Very high39 Ų3950.2 Ų50.221%0.20925%0.253CS..  trans-59.7132.8-179.4-170.3-53.9000110.4M35 D40 R44M35-N38 WeakPolarHBondContact O-CB 3.27Å; M35-N38 PolarHBondContact O-N 3.35Å; N38-D40 PolarHBondContact O-N 3.22Å; N38-D40 WeakPolarHBondContact OD1-CB 3.5Å; N38-D40 PolarHBondContact OD1-N 3.37Å; N38-R44 PolarHBondContact O-NE 3.16Å; N38-R44 PolarHBondContact O-NH2 2.75Å
39P96.9Very high97.2Very high116 Ų11646.2 Ų46.275%0.75324%0.238SC*.SBendtrans-63.6-27.9-179.125.2-35000113.4P41 R44P39-P41 WeakPolarHBondContact O-CD 3.36Å; P39-R44 PolarHBondContact O-NH2 2.87Å
40D97.4Very high97.3Very high61 Ų6140.6 Ų40.633%0.32621%0.207SC..  trans-76.1117176.8-175.4-26.6000110.7N38 N42 L43 R44N38-D40 PolarHBondContact O-N 3.22Å; N38-D40 WeakPolarHBondContact OD1-CB 3.5Å; N38-D40 PolarHBondContact OD1-N 3.37Å; D40-N42 VanDerWaalsContact C-N 3.3Å; D40-N42 PolarHBondContact O-N 2.98Å; D40-N42 WeakPolarHBondContact OD1-CA 3.31Å; D40-N42 WeakPolarHBondContact OD1-CB 3.16Å; D40-N42 PolarHBondContact OD1-N 3.06Å; D40-L43 HydrophobicContact CB-CB 4.09Å; D40-L43 HydrophobicContact CB-CD1 4Å; D40-L43 HydrophobicContact CB-CG 4Å; D40-L43 PolarHBondContact O-N 3.26Å; D40-L43 PolarHBondContact OD1-N 3.08Å; D40-R44 VanDerWaalsContact O-CB 3.28Å; D40-R44 WeakPolarHBondContact O-CB 3.41Å; D40-R44 PolarHBondContact O-N 3.48Å
41P97.3Very high97.4Very high50 Ų5040.3 Ų40.333%0.32521%0.206SC..Hα-helixtrans-62.7-32.4179.625.6-33.5000113.3P39 G45 F146P39-P41 WeakPolarHBondContact O-CD 3.36Å; P41-G45 PolarHBondContact O-N 3.34Å; P41-F146 HydrophobicContact CB-CD1 4.38Å; P41-F146 HydrophobicContact CB-CE1 3.84Å; P41-F146 VanDerWaalsContact O-CE1 3.27Å; P41-F146 WeakPolarHBondContact O-CE1 3.33Å
42N97.3Very high97.4Very high48 Ų4840.3 Ų40.326%0.25721%0.205SC..Hα-helixtrans-68.3-49.4178.2-74.7-44.7000111.1D40 R44 G45 Y46 F119D40-N42 VanDerWaalsContact C-N 3.3Å; D40-N42 PolarHBondContact O-N 2.98Å; D40-N42 WeakPolarHBondContact OD1-CA 3.31Å; D40-N42 WeakPolarHBondContact OD1-CB 3.16Å; D40-N42 PolarHBondContact OD1-N 3.06Å; N42-R44 VanDerWaalsContact C-N 3.29Å; N42-R44 PolarHBondContact O-N 3.39Å; N42-G45 PolarHBondContact O-N 3.29Å; N42-Y46 VanDerWaalsContact O-CB 3.31Å; N42-Y46 WeakPolarHBondContact O-CB 3.39Å; N42-Y46 PolarHBondContact O-N 3.49Å; N42-F119 VanDerWaalsContact OD1-CB 3.3Å; N42-F119 WeakPolarHBondContact OD1-CB 3.47Å; N42-F119 PolarHBondContact OD1-N 2.81Å
43L97.7Very high97.4Very high49 Ų4940 Ų4026%0.25721%0.205SC..Hα-helixtrans-63-39.3177.8-63.5-177.9000111.3D40 A47D40-L43 HydrophobicContact CB-CB 4.09Å; D40-L43 HydrophobicContact CB-CD1 4Å; D40-L43 HydrophobicContact CB-CG 4Å; D40-L43 PolarHBondContact O-N 3.26Å; D40-L43 PolarHBondContact OD1-N 3.08Å; L43-A47 WeakPolarHBondContact O-CB 3.29Å; L43-A47 PolarHBondContact O-N 2.84Å
44R97.6Very high97.4Very high63 Ų6338.5 Ų38.524%0.23820%0.199CC..Hα-helixtrans-63.4-49.7176.3-164.8-167.1-57.7169.16.4112A36 N38 P39 D40 N42 Y46 A47 V48 A145A36-R44 WeakPolarHBondContact O-CD 3.35Å; A36-R44 WeakPolarHBondContact O-CG 3.41Å; A36-R44 PolarHBondContact O-NE 3.03Å; N38-R44 PolarHBondContact O-NE 3.16Å; N38-R44 PolarHBondContact O-NH2 2.75Å; P39-R44 PolarHBondContact O-NH2 2.87Å; D40-R44 VanDerWaalsContact O-CB 3.28Å; D40-R44 WeakPolarHBondContact O-CB 3.41Å; D40-R44 PolarHBondContact O-N 3.48Å; N42-R44 VanDerWaalsContact C-N 3.29Å; N42-R44 PolarHBondContact O-N 3.39Å; R44-Y46 PolarHBondContact O-N 2.99Å; R44-A47 PolarHBondContact O-N 3.44Å; R44-V48 WeakPolarHBondContact O-CG2 3.42Å; R44-V48 PolarHBondContact O-N 2.96Å; R44-A145 WeakPolarHBondContact CD-O 3.47Å; R44-A145 HydrophobicContact CG-CB 4.02Å; R44-A145 PolarHBondContact NH1-O 2.94Å
45G98Very high97.3Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-58.6-46.8177.300000112P41 N42 W49P41-G45 PolarHBondContact O-N 3.34Å; N42-G45 PolarHBondContact O-N 3.29Å; G45-W49 VanDerWaalsContact O-CB 3.29Å; G45-W49 WeakPolarHBondContact O-CB 3.4Å; G45-W49 PolarHBondContact O-N 3.03Å
46Y98.4Very high97.1Very high1 Ų133.5 Ų33.50%0.00418%0.182CC..Hα-helixtrans-59.3-50.8175.4175-109.7000112.2N42 R44 V48 W49 V50 W70 M71 W74 P75 V77 L80N42-Y46 VanDerWaalsContact O-CB 3.31Å; N42-Y46 WeakPolarHBondContact O-CB 3.39Å; N42-Y46 PolarHBondContact O-N 3.49Å; R44-Y46 PolarHBondContact O-N 2.99Å; Y46-V48 PolarHBondContact O-N 3.49Å; Y46-W49 PolarHBondContact O-N 2.77Å; Y46-V50 HydrophobicContact CD2-CG2 4.06Å; Y46-V50 HydrophobicContact CE1-CG2 4.09Å; Y46-V50 HydrophobicContact CE2-CG2 3.6Å; Y46-V50 WeakPolarHBondContact O-CG2 3.47Å; Y46-V50 PolarHBondContact O-N 2.89Å; Y46-W70 AromaticContact CZ-NE1 4Å; Y46-W70 PolarHBondContact OH-NE1 3.38Å; Y46-M71 HydrophobicContact CD1-CE 3.71Å; Y46-M71 HydrophobicContact CD1-SD 4.28Å; Y46-M71 HydrophobicContact CE1-CE 3.56Å; Y46-M71 HydrophobicContact CE1-SD 3.69Å; Y46-W74 WeakPolarHBondContact CE1-O 3.3Å; Y46-W74 PolarHBondContact OH-O 3.2Å; Y46-P75 WeakPolarHBondContact CD1-O 3.34Å; Y46-V77 HydrophobicContact CD2-CB 4.1Å; Y46-V77 HydrophobicContact CD2-CG2 4.47Å; Y46-L80 HydrophobicContact CE2-CB 4.21Å; Y46-L80 HydrophobicContact CE2-CD2 3.8Å
47A98.3Very high96.7Very high0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-59.5-44.3-179.100000113M35 L43 R44 S51 Y67 M71M35-A47 HydrophobicContact CB-CB 3.59Å; M35-A47 HydrophobicContact CE-CB 4.15Å; M35-A47 HydrophobicContact CG-CB 4.36Å; L43-A47 WeakPolarHBondContact O-CB 3.29Å; L43-A47 PolarHBondContact O-N 2.84Å; R44-A47 PolarHBondContact O-N 3.44Å; A47-S51 PolarHBondContact O-N 2.81Å; A47-S51 PolarHBondContact O-OG 3.06Å; A47-Y67 WeakPolarHBondContact CB-OH 3.04Å; A47-Y67 WeakPolarHBondContact O-CE2 3.09Å; A47-Y67 PolarHBondContact O-OH 2.88Å; A47-M71 HydrophobicContact CB-CE 3.97Å
48V98.4Very high96.5Very high3 Ų334 Ų342%0.01818%0.18CC..Hα-helixtrans-65.4-47.1176.5174.20000109.7A36 R44 Y46 V50 S51 E52 I141 I144 A145A36-V48 HydrophobicContact CB-CG2 3.89Å; R44-V48 WeakPolarHBondContact O-CG2 3.42Å; R44-V48 PolarHBondContact O-N 2.96Å; Y46-V48 PolarHBondContact O-N 3.49Å; V48-V50 PolarHBondContact O-N 2.98Å; V48-S51 PolarHBondContact O-N 2.99Å; V48-S51 PolarHBondContact O-OG 3.43Å; V48-E52 HydrophobicContact CG1-CG 4.11Å; V48-E52 WeakPolarHBondContact O-CG 3.23Å; V48-E52 PolarHBondContact O-N 3.34Å; V48-I141 HydrophobicContact CG1-CG1 4.22Å; V48-I144 HydrophobicContact CG1-CB 4.13Å; V48-I144 HydrophobicContact CG1-CD1 4.33Å; V48-I144 HydrophobicContact CG1-CG2 4.16Å; V48-I144 HydrophobicContact CG2-CB 4.42Å; V48-I144 HydrophobicContact CG2-CG2 3.72Å; V48-A145 HydrophobicContact CG2-CB 4.24Å
49W98.5Very high96.1Very high2 Ų239.2 Ų39.21%0.00820%0.203CC..Hα-helixtrans-58-46.9-179.7-179.630.3000112.9G45 Y46 S51 E52 V53 L104 A108 I111 F119 I130 V133 I141G45-W49 VanDerWaalsContact O-CB 3.29Å; G45-W49 WeakPolarHBondContact O-CB 3.4Å; G45-W49 PolarHBondContact O-N 3.03Å; Y46-W49 PolarHBondContact O-N 2.77Å; W49-S51 VanDerWaalsContact C-N 3.34Å; W49-S51 PolarHBondContact O-N 3.43Å; W49-E52 PolarHBondContact O-N 2.88Å; W49-V53 WeakPolarHBondContact O-CG2 3.32Å; W49-V53 PolarHBondContact O-N 2.9Å; W49-L104 HydrophobicContact CD2-CD1 3.47Å; W49-L104 VanDerWaalsContact CD2-CD1 3.47Å; W49-L104 HydrophobicContact CE3-CD1 3.65Å; W49-L104 HydrophobicContact CG-CD1 4.12Å; W49-L104 HydrophobicContact CH2-CD1 3.72Å; W49-L104 WeakPolarHBondContact CH2-O 3.4Å; W49-L104 HydrophobicContact CZ2-CD1 3.51Å; W49-L104 HydrophobicContact CZ3-CD1 3.79Å; W49-A108 HydrophobicContact CZ3-CB 4.45Å; W49-I111 HydrophobicContact CE3-CD1 4.43Å; W49-I111 HydrophobicContact CH2-CD1 4.21Å; W49-I111 HydrophobicContact CZ3-CD1 3.77Å; W49-F119 HydrophobicContact CB-CE2 4.48Å; W49-F119 HydrophobicContact CB-CZ 3.86Å; W49-F119 HydrophobicContact CD2-CE2 4.31Å; W49-F119 AromaticContact CD2-CZ 3.95Å; W49-F119 HydrophobicContact CD2-CZ 3.95Å; W49-F119 AromaticContact CE3-CE2 3.53Å; W49-F119 HydrophobicContact CE3-CE2 3.53Å; W49-F119 AromaticContact CE3-CZ 3.63Å; W49-F119 HydrophobicContact CE3-CZ 3.63Å; W49-F119 HydrophobicContact CG-CZ 4.11Å; W49-F119 HydrophobicContact CZ3-CE2 4.09Å; W49-F119 HydrophobicContact CZ3-CZ 4.39Å; W49-I130 HydrophobicContact CH2-CG2 3.81Å; W49-I130 HydrophobicContact CZ2-CG2 3.47Å; W49-I130 VanDerWaalsContact CZ2-CG2 3.47Å; W49-V133 HydrophobicContact CZ2-CG2 4.29Å; W49-I141 HydrophobicContact CB-CD1 3.66Å; W49-I141 HydrophobicContact CB-CG1 4.05Å; W49-I141 HydrophobicContact CG-CD1 3.73Å
50V98.5Very high95.9Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-57.1-48.8176.5172.20000110.5Y46 V48 E52 V53 M54 Y67 W70 M71 L104Y46-V50 HydrophobicContact CD2-CG2 4.06Å; Y46-V50 HydrophobicContact CE1-CG2 4.09Å; Y46-V50 HydrophobicContact CE2-CG2 3.6Å; Y46-V50 WeakPolarHBondContact O-CG2 3.47Å; Y46-V50 PolarHBondContact O-N 2.89Å; V48-V50 PolarHBondContact O-N 2.98Å; V50-E52 PolarHBondContact O-N 3.21Å; V50-V53 PolarHBondContact O-N 3.45Å; V50-M54 HydrophobicContact CG1-CE 3.92Å; V50-M54 HydrophobicContact CG1-SD 4.18Å; V50-M54 WeakPolarHBondContact O-CG 3.5Å; V50-M54 PolarHBondContact O-N 3.01Å; V50-Y67 HydrophobicContact CB-CE2 4.23Å; V50-Y67 HydrophobicContact CG1-CD2 3.97Å; V50-Y67 HydrophobicContact CG1-CE2 4.03Å; V50-W70 HydrophobicContact CG1-CG 4.09Å; V50-M71 HydrophobicContact CB-SD 4.24Å; V50-M71 HydrophobicContact CG1-SD 4.17Å; V50-M71 HydrophobicContact CG2-SD 4.25Å; V50-L104 HydrophobicContact CG2-CD1 4.5Å; V50-L104 HydrophobicContact CG2-CD2 4.37Å
51S98Very high95.7Very high2 Ų241 Ų411%0.01420%0.199CC..Hα-helixtrans-62.6-43.4179.765.70000112.9W32 A47 V48 W49 V53 M54 L55W32-S51 VanDerWaalsContact CG-CB 3.49Å; A47-S51 PolarHBondContact O-N 2.81Å; A47-S51 PolarHBondContact O-OG 3.06Å; V48-S51 PolarHBondContact O-N 2.99Å; V48-S51 PolarHBondContact O-OG 3.43Å; W49-S51 VanDerWaalsContact C-N 3.34Å; W49-S51 PolarHBondContact O-N 3.43Å; S51-V53 VanDerWaalsContact C-N 3.33Å; S51-V53 PolarHBondContact O-N 3.03Å; S51-M54 PolarHBondContact O-N 2.92Å; S51-L55 WeakPolarHBondContact O-CB 3.42Å; S51-L55 WeakPolarHBondContact O-CD1 3.32Å; S51-L55 VanDerWaalsContact O-CG 3.22Å; S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.15Å
52E97.6Very high95.5Very high12 Ų1241.9 Ų41.96%0.05620%0.203CC..Hα-helixtrans-65.3-39-179.2-72.5-56.5139.900111.1V48 W49 V50 Q56 Y136 T137 A140V48-E52 HydrophobicContact CG1-CG 4.11Å; V48-E52 WeakPolarHBondContact O-CG 3.23Å; V48-E52 PolarHBondContact O-N 3.34Å; W49-E52 PolarHBondContact O-N 2.88Å; V50-E52 PolarHBondContact O-N 3.21Å; E52-Q56 WeakPolarHBondContact O-CG 3.31Å; E52-Q56 PolarHBondContact O-N 3.11Å; E52-Y136 VanDerWaalsContact OE2-CE1 3.22Å; E52-Y136 WeakPolarHBondContact OE2-CE1 3.31Å; E52-Y136 VanDerWaalsContact OE2-CZ 3.27Å; E52-Y136 PolarHBondContact OE2-OH 3.25Å; E52-T137 HydrophobicContact CB-CG2 4.25Å; E52-A140 HydrophobicContact CG-CB 3.92Å
53V97.4Very high95.5Very high6 Ų639.6 Ų39.64%0.03619%0.191CC..Hα-helixtrans-66.7-42.7174.5176.80000110.9W49 V50 S51 Q56 W92 R100 L104W49-V53 WeakPolarHBondContact O-CG2 3.32Å; W49-V53 PolarHBondContact O-N 2.9Å; V50-V53 PolarHBondContact O-N 3.45Å; S51-V53 VanDerWaalsContact C-N 3.33Å; S51-V53 PolarHBondContact O-N 3.03Å; V53-Q56 WeakPolarHBondContact O-CB 3.25Å; V53-Q56 PolarHBondContact O-N 3.26Å; V53-W92 HydrophobicContact CG1-CH2 3.86Å; V53-W92 HydrophobicContact CG1-CZ2 4.29Å; V53-R100 HydrophobicContact CG1-CB 3.72Å; V53-R100 HydrophobicContact CG1-CG 4.33Å; V53-R100 WeakPolarHBondContact O-CD 3.43Å; V53-R100 PolarHBondContact O-NH1 3.23Å; V53-L104 HydrophobicContact CG1-CB 4.45Å; V53-L104 HydrophobicContact CG1-CD2 4.4Å; V53-L104 HydrophobicContact CG2-CD1 4.34Å
54M97.4Very high95.4Very high1 Ų139.5 Ų39.51%0.00519%0.19CC..Hα-helixtrans-64.9-38.7177.7-73.8-174173.800112.9V50 S51 Q56 T58 V63 Y67 W70 W92 L95 R100V50-M54 HydrophobicContact CG1-CE 3.92Å; V50-M54 HydrophobicContact CG1-SD 4.18Å; V50-M54 WeakPolarHBondContact O-CG 3.5Å; V50-M54 PolarHBondContact O-N 3.01Å; S51-M54 PolarHBondContact O-N 2.92Å; M54-Q56 PolarHBondContact O-N 3.21Å; M54-T58 WeakPolarHBondContact O-CB 3.38Å; M54-T58 PolarHBondContact O-OG1 3.31Å; M54-T58 VanDerWaalsContact O-OG1 3.14Å; M54-V63 HydrophobicContact CB-CG1 3.55Å; M54-V63 HydrophobicContact CB-CG2 4.15Å; M54-V63 HydrophobicContact CG-CG1 4.43Å; M54-V63 HydrophobicContact SD-CG1 4.05Å; M54-Y67 HydrophobicContact SD-CD2 4.32Å; M54-W70 HydrophobicContact CE-CB 3.62Å; M54-W70 HydrophobicContact CE-CD2 3.77Å; M54-W70 HydrophobicContact CE-CE3 3.87Å; M54-W70 HydrophobicContact CE-CG 3.69Å; M54-W92 HydrophobicContact CB-CH2 4.28Å; M54-W92 HydrophobicContact CE-CE3 4.1Å; M54-W92 HydrophobicContact CE-CH2 4.43Å; M54-W92 HydrophobicContact CE-CZ3 3.65Å; M54-W92 HydrophobicContact CG-CH2 3.41Å; M54-W92 VanDerWaalsContact CG-CH2 3.41Å; M54-W92 HydrophobicContact CG-CZ2 4.27Å; M54-W92 HydrophobicContact CG-CZ3 3.61Å; M54-L95 HydrophobicContact CB-CD2 4.01Å; M54-L95 HydrophobicContact CG-CD2 3.78Å; M54-L95 HydrophobicContact SD-CD2 4.41Å; M54-R100 PolarHBondContact O-NH1 2.94Å
55L95.5Very high95.4Very high38 Ų3841.5 Ų41.520%0.19921%0.206CC..Hα-helixtrans-71.4-14.6-178.4-73.6165.3000113.9W32 S51 Q57 T58 V60 V63W32-L55 HydrophobicContact CH2-CD2 4.33Å; W32-L55 HydrophobicContact CZ2-CD1 4.01Å; W32-L55 HydrophobicContact CZ2-CD2 4.09Å; W32-L55 HydrophobicContact CZ2-CG 4.48Å; S51-L55 WeakPolarHBondContact O-CB 3.42Å; S51-L55 WeakPolarHBondContact O-CD1 3.32Å; S51-L55 VanDerWaalsContact O-CG 3.22Å; S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.15Å; L55-Q57 PolarHBondContact O-N 3.25Å; L55-T58 PolarHBondContact O-N 3.16Å; L55-V60 HydrophobicContact CD2-CB 4.4Å; L55-V60 HydrophobicContact CD2-CG2 3.76Å; L55-V63 HydrophobicContact CD2-CB 4.15Å; L55-V63 HydrophobicContact CD2-CG1 4.32Å; L55-V63 HydrophobicContact CD2-CG2 3.97Å; L55-V63 HydrophobicContact CG-CG1 4.32Å; L55-V63 HydrophobicContact CG-CG2 4.41Å
56Q92.2Very high95.4Very high55 Ų5543.6 Ų43.626%0.25721%0.214SC..THydrogen-bonded Turntrans-57.7113.2175.1-71.8168.914.900111.2E52 V53 M54 T58 R100 T137E52-Q56 WeakPolarHBondContact O-CG 3.31Å; E52-Q56 PolarHBondContact O-N 3.11Å; V53-Q56 WeakPolarHBondContact O-CB 3.25Å; V53-Q56 PolarHBondContact O-N 3.26Å; M54-Q56 PolarHBondContact O-N 3.21Å; Q56-T58 PolarHBondContact O-N 3.46Å; Q56-T58 PolarHBondContact O-OG1 2.76Å; Q56-T58 VanDerWaalsContact O-OG1 3.08Å; Q56-R100 PolarHBondContact O-NH1 2.88Å; Q56-R100 VanDerWaalsContact OE1-CD 3.25Å; Q56-T137 PolarHBondContact NE2-OG1 3.04Å
57Q86.4Confident95.4Very high148 Ų14843.6 Ų43.669%0.69221%0.214SC*.THydrogen-bonded Turntrans54.923.7-179.8-56.7-172.968.700114.3L55 Y97L55-Q57 PolarHBondContact O-N 3.25Å; Q57-Y97 HydrophobicContact CB-CD2 4.48Å; Q57-Y97 HydrophobicContact CB-CE2 3.81Å; Q57-Y97 PolarHBondContact OE1-OH 2.93Å
58T90.2Very high95.3Very high21 Ų2147 Ų4713%0.12923%0.232CC..SBendtrans-129.4138.8-179.2-47.70000109.5M54 L55 Q56 T62 V63 L95 R100M54-T58 WeakPolarHBondContact O-CB 3.38Å; M54-T58 PolarHBondContact O-OG1 3.31Å; M54-T58 VanDerWaalsContact O-OG1 3.14Å; L55-T58 PolarHBondContact O-N 3.16Å; Q56-T58 PolarHBondContact O-N 3.46Å; Q56-T58 PolarHBondContact O-OG1 2.76Å; Q56-T58 VanDerWaalsContact O-OG1 3.08Å; T58-T62 HydrophobicContact CG2-CG2 4.26Å; T58-V63 HydrophobicContact CG2-CG2 3.65Å; T58-L95 HydrophobicContact CG2-CD1 3.71Å; T58-L95 HydrophobicContact CG2-CG 4.17Å; T58-R100 PolarHBondContact OG1-NH1 2.8Å; T58-R100 PolarHBondContact OG1-NH2 3.03Å
59Q89.4Confident95.3Very high147 Ų14751.9 Ų51.969%0.68725%0.25SS*.  trans-72.6142-177.8-64.3-61.4-42.600111.4K61 T62 V63Q59-K61 VanDerWaalsContact C-N 3.29Å; Q59-K61 PolarHBondContact O-N 3.45Å; Q59-T62 WeakPolarHBondContact O-CB 3.37Å; Q59-T62 PolarHBondContact O-N 2.99Å; Q59-V63 PolarHBondContact O-N 3.14Å
60V92Very high95.3Very high34 Ų3451.8 Ų51.821%0.20625%0.25CC..Hα-helixtrans-50-47.6179.9170.90000112L30 W32 L55 T62 V63 I64L30-V60 HydrophobicContact CD1-CG1 4.4Å; L30-V60 HydrophobicContact CD2-CG1 3.7Å; W32-V60 HydrophobicContact CH2-CG1 3.99Å; W32-V60 HydrophobicContact CZ2-CG1 3.93Å; L55-V60 HydrophobicContact CD2-CB 4.4Å; L55-V60 HydrophobicContact CD2-CG2 3.76Å; V60-T62 PolarHBondContact O-N 2.94Å; V60-V63 PolarHBondContact O-N 3.06Å; V60-I64 PolarHBondContact O-N 3.35Å
61K93.3Very high95.3Very high182 Ų18252.8 Ų52.879%0.79126%0.255SS*.Hα-helixtrans-56.4-37.7-179.5-176.4-178.8177.2-177.10112.5Q59Q59-K61 VanDerWaalsContact C-N 3.29Å; Q59-K61 PolarHBondContact O-N 3.45Å
62T93.1Very high95.2Very high67 Ų6761.5 Ų61.541%0.41129%0.292SS..Hα-helixtrans-73.6-35.7178.6-53.70000111.6T58 Q59 V60 I64 Y66 L95T58-T62 HydrophobicContact CG2-CG2 4.26Å; Q59-T62 WeakPolarHBondContact O-CB 3.37Å; Q59-T62 PolarHBondContact O-N 2.99Å; V60-T62 PolarHBondContact O-N 2.94Å; T62-I64 PolarHBondContact O-N 3.45Å; T62-Y66 HydrophobicContact CG2-CE2 4.35Å; T62-Y66 VanDerWaalsContact O-CD2 3.3Å; T62-Y66 WeakPolarHBondContact O-CD2 3.45Å; T62-L95 HydrophobicContact CG2-CD1 4.15Å
63V96.9Very high95.3Very high0 Ų065 Ų650%031%0.308CS..Hα-helixtrans-70.9-30.4-174.3172.50000112.8W32 M54 L55 T58 Q59 V60 D65 Y66 Y67W32-V63 HydrophobicContact CE3-CG1 4.49Å; W32-V63 HydrophobicContact CH2-CB 4.19Å; W32-V63 HydrophobicContact CH2-CG1 3.97Å; W32-V63 HydrophobicContact CZ3-CB 4.32Å; W32-V63 HydrophobicContact CZ3-CG1 3.74Å; M54-V63 HydrophobicContact CB-CG1 3.55Å; M54-V63 HydrophobicContact CB-CG2 4.15Å; M54-V63 HydrophobicContact CG-CG1 4.43Å; M54-V63 HydrophobicContact SD-CG1 4.05Å; L55-V63 HydrophobicContact CD2-CB 4.15Å; L55-V63 HydrophobicContact CD2-CG1 4.32Å; L55-V63 HydrophobicContact CD2-CG2 3.97Å; L55-V63 HydrophobicContact CG-CG1 4.32Å; L55-V63 HydrophobicContact CG-CG2 4.41Å; T58-V63 HydrophobicContact CG2-CG2 3.65Å; Q59-V63 PolarHBondContact O-N 3.14Å; V60-V63 PolarHBondContact O-N 3.06Å; V63-D65 PolarHBondContact O-N 2.89Å; V63-Y66 PolarHBondContact O-N 2.87Å; V63-Y66 VanDerWaalsContact O-N 3.13Å; V63-Y67 WeakPolarHBondContact O-CB 3.39Å; V63-Y67 PolarHBondContact O-N 3.41Å
64I97.2Very high95.3Very high48 Ų4865.4 Ų65.425%0.24631%0.308CS..Hα-helixtrans-50.6-56.7-176.4-68166.7000111.7L30 P31 W32 V60 T62 Y66 Y67 D68L30-I64 HydrophobicContact CD2-CD1 4.29Å; P31-I64 HydrophobicContact CG-CG2 4.13Å; W32-I64 HydrophobicContact CH2-CG1 3.89Å; W32-I64 HydrophobicContact CZ3-CG1 3.97Å; V60-I64 PolarHBondContact O-N 3.35Å; T62-I64 PolarHBondContact O-N 3.45Å; I64-Y66 VanDerWaalsContact C-N 3.28Å; I64-Y66 PolarHBondContact O-N 3.22Å; I64-Y67 PolarHBondContact O-N 3.18Å; I64-D68 PolarHBondContact O-N 3.34Å
65D96.4Very high95.3Very high105 Ų10568.1 Ų68.156%0.56133%0.326SS*.Hα-helixtrans-67.2-28.4-176.7-59.7-17.7000113.3V63 R69V63-D65 PolarHBondContact O-N 2.89Å; D65-R69 WeakPolarHBondContact O-CG 3.49Å; D65-R69 PolarHBondContact O-N 3.02Å; D65-R69 PolarHBondContact O-NE 3.34Å; D65-R69 VanDerWaalsContact O-NE 3.1Å
66Y97.5Very high95.4Very high43 Ų4367.4 Ų67.417%0.16932%0.324CS..Hα-helixtrans-75.2-43176-79.1-103.2000111.1T62 V63 I64 R69 W70 S93 G94 L95T62-Y66 HydrophobicContact CG2-CE2 4.35Å; T62-Y66 VanDerWaalsContact O-CD2 3.3Å; T62-Y66 WeakPolarHBondContact O-CD2 3.45Å; V63-Y66 PolarHBondContact O-N 2.87Å; V63-Y66 VanDerWaalsContact O-N 3.13Å; I64-Y66 VanDerWaalsContact C-N 3.28Å; I64-Y66 PolarHBondContact O-N 3.22Å; Y66-R69 VanDerWaalsContact CE1-NH2 3.33Å; Y66-R69 VanDerWaalsContact CG-NH2 3.28Å; Y66-W70 WeakPolarHBondContact O-CB 3.28Å; Y66-W70 PolarHBondContact O-N 3.31Å; Y66-S93 WeakPolarHBondContact CE1-O 3.46Å; Y66-S93 PolarHBondContact OH-O 3.21Å; Y66-S93 VanDerWaalsContact OH-O 3.1Å; Y66-G94 WeakPolarHBondContact OH-CA 3.4Å; Y66-L95 HydrophobicContact CD1-CB 4.15Å; Y66-L95 HydrophobicContact CD1-CD1 4Å; Y66-L95 HydrophobicContact CD1-CD2 4.4Å; Y66-L95 HydrophobicContact CD1-CG 4.43Å; Y66-L95 HydrophobicContact CD2-CD1 3.83Å; Y66-L95 HydrophobicContact CE1-CB 4.02Å; Y66-L95 HydrophobicContact CE1-CD1 4.25Å; Y66-L95 HydrophobicContact CE2-CD1 4.09Å; Y66-L95 HydrophobicContact CG-CD1 3.76Å
67Y98.4Very high95.7Very high2 Ų265 Ų651%0.00831%0.313CS..Hα-helixtrans-60.4-48.3177.6-176.4-92.4000110.8P31 W32 M35 A47 V50 M54 V63 I64 R69 W70 M71P31-Y67 HydrophobicContact CB-CD1 3.67Å; P31-Y67 HydrophobicContact CB-CE1 3.83Å; W32-Y67 HydrophobicContact CB-CE1 4.09Å; W32-Y67 HydrophobicContact CB-CE2 3.92Å; W32-Y67 HydrophobicContact CE3-CD1 4.11Å; W32-Y67 HydrophobicContact CE3-CD2 4.17Å; W32-Y67 AromaticContact CE3-CG 3.88Å; W32-Y67 HydrophobicContact CE3-CG 3.88Å; W32-Y67 HydrophobicContact CZ3-CG 4.44Å; M35-Y67 HydrophobicContact CG-CE1 4.44Å; A47-Y67 WeakPolarHBondContact CB-OH 3.04Å; A47-Y67 WeakPolarHBondContact O-CE2 3.09Å; A47-Y67 PolarHBondContact O-OH 2.88Å; V50-Y67 HydrophobicContact CB-CE2 4.23Å; V50-Y67 HydrophobicContact CG1-CD2 3.97Å; V50-Y67 HydrophobicContact CG1-CE2 4.03Å; M54-Y67 HydrophobicContact SD-CD2 4.32Å; V63-Y67 WeakPolarHBondContact O-CB 3.39Å; V63-Y67 PolarHBondContact O-N 3.41Å; I64-Y67 PolarHBondContact O-N 3.18Å; Y67-R69 PolarHBondContact O-N 3.48Å; Y67-W70 PolarHBondContact O-N 2.96Å; Y67-M71 HydrophobicContact CD1-CG 3.87Å; Y67-M71 HydrophobicContact CD2-CG 4.13Å; Y67-M71 HydrophobicContact CE1-CB 4.48Å; Y67-M71 HydrophobicContact CE1-CG 3.51Å; Y67-M71 HydrophobicContact CE2-CG 3.76Å; Y67-M71 HydrophobicContact CE2-SD 3.99Å; Y67-M71 HydrophobicContact CG-CG 4.18Å; Y67-M71 VanDerWaalsContact CZ-CG 3.44Å; Y67-M71 WeakPolarHBondContact O-CB 3.31Å; Y67-M71 VanDerWaalsContact O-CG 3.29Å; Y67-M71 WeakPolarHBondContact O-CG 3.17Å; Y67-M71 PolarHBondContact O-N 3.45Å
68D97.8Very high96.2Very high71 Ų7161.7 Ų61.738%0.3830%0.3SS..Hα-helixtrans-63.4-43.5-178-71.2-18.8000112.1P31 I64 K72P31-D68 VanDerWaalsContact CB-OD1 3.3Å; P31-D68 WeakPolarHBondContact CB-OD1 3.22Å; P31-D68 WeakPolarHBondContact CG-OD1 3.24Å; I64-D68 PolarHBondContact O-N 3.34Å; D68-K72 VanDerWaalsContact O-CB 3.25Å; D68-K72 WeakPolarHBondContact O-CB 3.43Å; D68-K72 PolarHBondContact O-N 3.25Å
69R97.5Very high96.6Very high105 Ų10564.7 Ų64.740%0.39631%0.313SS..Hα-helixtrans-64.8-40.3174.8-71.4-177.8-62.2119.4-1.2112.2D65 Y66 Y67 K73D65-R69 WeakPolarHBondContact O-CG 3.49Å; D65-R69 PolarHBondContact O-N 3.02Å; D65-R69 PolarHBondContact O-NE 3.34Å; D65-R69 VanDerWaalsContact O-NE 3.1Å; Y66-R69 VanDerWaalsContact CE1-NH2 3.33Å; Y66-R69 VanDerWaalsContact CG-NH2 3.28Å; Y67-R69 PolarHBondContact O-N 3.48Å; R69-K73 PolarHBondContact O-N 3.25Å; R69-K73 VanDerWaalsContact O-N 3.11Å
70W98.1Very high97Very high1 Ų157.7 Ų57.70%0.00428%0.28CS..Hα-helixtrans-64-53.7178.9-177.2-73.3000111.6Y46 V50 M54 Y66 Y67 K72 K73 W74 L80 V88 L91 W92 L104Y46-W70 AromaticContact CZ-NE1 4Å; Y46-W70 PolarHBondContact OH-NE1 3.38Å; V50-W70 HydrophobicContact CG1-CG 4.09Å; M54-W70 HydrophobicContact CE-CB 3.62Å; M54-W70 HydrophobicContact CE-CD2 3.77Å; M54-W70 HydrophobicContact CE-CE3 3.87Å; M54-W70 HydrophobicContact CE-CG 3.69Å; Y66-W70 WeakPolarHBondContact O-CB 3.28Å; Y66-W70 PolarHBondContact O-N 3.31Å; Y67-W70 PolarHBondContact O-N 2.96Å; W70-K72 PolarHBondContact O-N 2.95Å; W70-K73 PolarHBondContact O-N 2.76Å; W70-K73 VanDerWaalsContact O-N 3.08Å; W70-W74 AromaticContact CD2-CE3 3.84Å; W70-W74 HydrophobicContact CD2-CE3 3.84Å; W70-W74 AromaticContact CD2-CZ3 3.98Å; W70-W74 HydrophobicContact CD2-CZ3 3.98Å; W70-W74 AromaticContact CE2-CE3 3.84Å; W70-W74 HydrophobicContact CE3-CE3 4.07Å; W70-W74 AromaticContact CE3-CZ3 3.71Å; W70-W74 HydrophobicContact CE3-CZ3 3.71Å; W70-W74 HydrophobicContact CG-CE3 4.3Å; W70-W74 HydrophobicContact CH2-CE3 4.35Å; W70-W74 HydrophobicContact CH2-CZ3 4.03Å; W70-W74 HydrophobicContact CZ2-CE3 4.14Å; W70-W74 HydrophobicContact CZ2-CZ3 4.29Å; W70-W74 HydrophobicContact CZ3-CE3 4.29Å; W70-W74 AromaticContact CZ3-CZ3 3.7Å; W70-W74 HydrophobicContact CZ3-CZ3 3.7Å; W70-W74 PolarHBondContact O-N 3.46Å; W70-L80 HydrophobicContact CH2-CD1 3.92Å; W70-L80 HydrophobicContact CZ2-CD1 3.4Å; W70-L80 HydrophobicContact CZ2-CD2 3.73Å; W70-L80 HydrophobicContact CZ2-CG 4.22Å; W70-V88 HydrophobicContact CH2-CG1 3.95Å; W70-V88 HydrophobicContact CZ3-CG1 4.36Å; W70-L91 HydrophobicContact CB-CD2 4.25Å; W70-L91 HydrophobicContact CE3-CB 4.41Å; W70-L91 HydrophobicContact CE3-CD2 4.11Å; W70-W92 AromaticContact CE3-CE3 3.91Å; W70-W92 HydrophobicContact CE3-CE3 3.91Å; W70-W92 HydrophobicContact CE3-CZ3 4.27Å; W70-W92 AromaticContact CH2-CE3 3.99Å; W70-W92 HydrophobicContact CH2-CE3 3.99Å; W70-W92 HydrophobicContact CH2-CZ3 4.19Å; W70-W92 AromaticContact CZ3-CE3 3.47Å; W70-W92 HydrophobicContact CZ3-CE3 3.47Å; W70-W92 VanDerWaalsContact CZ3-CE3 3.47Å; W70-W92 AromaticContact CZ3-CZ3 4Å; W70-W92 HydrophobicContact CZ3-CZ3 4Å; W70-L104 HydrophobicContact CH2-CD2 4.07Å; W70-L104 HydrophobicContact CZ2-CD2 3.59Å; W70-L104 HydrophobicContact CZ2-CG 4.34Å
71M98Very high97.3Very high21 Ų2156.7 Ų56.710%0.10328%0.276CS..Hα-helixtrans-66.2-25.2-179.3-63.8-55.9-62.800112.4M35 Y46 A47 V50 Y67 P75M35-M71 HydrophobicContact CE-CE 4.19Å; Y46-M71 HydrophobicContact CD1-CE 3.71Å; Y46-M71 HydrophobicContact CD1-SD 4.28Å; Y46-M71 HydrophobicContact CE1-CE 3.56Å; Y46-M71 HydrophobicContact CE1-SD 3.69Å; A47-M71 HydrophobicContact CB-CE 3.97Å; V50-M71 HydrophobicContact CB-SD 4.24Å; V50-M71 HydrophobicContact CG1-SD 4.17Å; V50-M71 HydrophobicContact CG2-SD 4.25Å; Y67-M71 HydrophobicContact CD1-CG 3.87Å; Y67-M71 HydrophobicContact CD2-CG 4.13Å; Y67-M71 HydrophobicContact CE1-CB 4.48Å; Y67-M71 HydrophobicContact CE1-CG 3.51Å; Y67-M71 HydrophobicContact CE2-CG 3.76Å; Y67-M71 HydrophobicContact CE2-SD 3.99Å; Y67-M71 HydrophobicContact CG-CG 4.18Å; Y67-M71 VanDerWaalsContact CZ-CG 3.44Å; Y67-M71 WeakPolarHBondContact O-CB 3.31Å; Y67-M71 VanDerWaalsContact O-CG 3.29Å; Y67-M71 WeakPolarHBondContact O-CG 3.17Å; Y67-M71 PolarHBondContact O-N 3.45Å; M71-P75 VanDerWaalsContact O-CA 3.29Å; M71-P75 WeakPolarHBondContact O-CA 3.44Å; M71-P75 WeakPolarHBondContact O-CD 3.36Å
72K97.8Very high97.5Very high185 Ų18552.7 Ų52.780%0.80427%0.271SS*.Hα-helixtrans-71.1-40.4171-175.6177.2-179.6179.80112.5D68 W70D68-K72 VanDerWaalsContact O-CB 3.25Å; D68-K72 WeakPolarHBondContact O-CB 3.43Å; D68-K72 PolarHBondContact O-N 3.25Å; W70-K72 PolarHBondContact O-N 2.95Å
73K98Very high97.8Very high86 Ų8650.2 Ų50.237%0.37426%0.257SS..Hα-helixtrans-77.8-39.7-179.3-171.7172.1178.8178.70112.1R69 W70 D87 L91R69-K73 PolarHBondContact O-N 3.25Å; R69-K73 VanDerWaalsContact O-N 3.11Å; W70-K73 PolarHBondContact O-N 2.76Å; W70-K73 VanDerWaalsContact O-N 3.08Å; K73-D87 IonicContact NZ-OD2 3.67Å; K73-D87 PolarHBondContact NZ-OD2 3.45Å; K73-L91 HydrophobicContact CB-CD2 4.11Å; K73-L91 HydrophobicContact CD-CD1 4.28Å; K73-L91 HydrophobicContact CD-CD2 4.1Å
74W98.2Very high97.6Very high14 Ų1452.8 Ų52.85%0.05328%0.275CS..  trans-131.680.1179.9-55.9-61.7000110.2Y46 W70 S76 Q79 L80 A83 D87 V88 L91Y46-W74 WeakPolarHBondContact CE1-O 3.3Å; Y46-W74 PolarHBondContact OH-O 3.2Å; W70-W74 AromaticContact CD2-CE3 3.84Å; W70-W74 HydrophobicContact CD2-CE3 3.84Å; W70-W74 AromaticContact CD2-CZ3 3.98Å; W70-W74 HydrophobicContact CD2-CZ3 3.98Å; W70-W74 AromaticContact CE2-CE3 3.84Å; W70-W74 HydrophobicContact CE3-CE3 4.07Å; W70-W74 AromaticContact CE3-CZ3 3.71Å; W70-W74 HydrophobicContact CE3-CZ3 3.71Å; W70-W74 HydrophobicContact CG-CE3 4.3Å; W70-W74 HydrophobicContact CH2-CE3 4.35Å; W70-W74 HydrophobicContact CH2-CZ3 4.03Å; W70-W74 HydrophobicContact CZ2-CE3 4.14Å; W70-W74 HydrophobicContact CZ2-CZ3 4.29Å; W70-W74 HydrophobicContact CZ3-CE3 4.29Å; W70-W74 AromaticContact CZ3-CZ3 3.7Å; W70-W74 HydrophobicContact CZ3-CZ3 3.7Å; W70-W74 PolarHBondContact O-N 3.46Å; W74-S76 VanDerWaalsContact C-N 3.27Å; W74-S76 PolarHBondContact O-N 2.76Å; W74-Q79 HydrophobicContact CB-CB 4.39Å; W74-L80 HydrophobicContact CB-CB 4.18Å; W74-L80 HydrophobicContact CD2-CD1 4.11Å; W74-L80 HydrophobicContact CE3-CD1 4.02Å; W74-L80 HydrophobicContact CG-CB 4.43Å; W74-L80 HydrophobicContact CG-CD1 4.43Å; W74-L80 HydrophobicContact CZ3-CD1 4.49Å; W74-A83 HydrophobicContact CZ2-CB 3.74Å; W74-D87 HydrophobicContact CH2-CB 4.23Å; W74-D87 HydrophobicContact CZ2-CB 3.91Å; W74-V88 HydrophobicContact CH2-CG2 4.07Å; W74-V88 HydrophobicContact CZ2-CG2 4.4Å; W74-V88 HydrophobicContact CZ3-CG2 4.49Å; W74-L91 HydrophobicContact CE3-CD2 3.95Å; W74-L91 HydrophobicContact CH2-CB 4.07Å; W74-L91 HydrophobicContact CH2-CD2 3.99Å; W74-L91 HydrophobicContact CZ3-CB 3.96Å; W74-L91 HydrophobicContact CZ3-CD2 3.39Å; W74-L91 HydrophobicContact CZ3-CG 4.3Å
75P97.5Very high97.3Very high57 Ų5753.9 Ų53.937%0.3728%0.28SS..  trans-64.5-19.5176.318.8-34.9000115.9Y46 M71Y46-P75 WeakPolarHBondContact CD1-O 3.34Å; M71-P75 VanDerWaalsContact O-CA 3.29Å; M71-P75 WeakPolarHBondContact O-CA 3.44Å; M71-P75 WeakPolarHBondContact O-CD 3.36Å
76S97.7Very high96.9Very high23 Ų2351.6 Ų51.616%0.16127%0.269CS..SBendtrans-130.2166.5-179.479.60000113.8W74 D78 Q79 L80W74-S76 VanDerWaalsContact C-N 3.27Å; W74-S76 PolarHBondContact O-N 2.76Å; S76-D78 VanDerWaalsContact C-N 3.33Å; S76-D78 PolarHBondContact O-N 3.41Å; S76-Q79 PolarHBondContact O-N 3.46Å; S76-Q79 PolarHBondContact OG-N 3.09Å; S76-L80 PolarHBondContact O-N 3.15Å
77V97.8Very high96.6Very high6 Ų652.9 Ų52.94%0.03628%0.278CS..Hα-helixtrans-62.4-39.5177.672.10000111.9Y46 Q79 L80 A81 A108 I111Y46-V77 HydrophobicContact CD2-CB 4.1Å; Y46-V77 HydrophobicContact CD2-CG2 4.47Å; V77-Q79 PolarHBondContact O-N 3.36Å; V77-L80 PolarHBondContact O-N 3.45Å; V77-A81 WeakPolarHBondContact O-CB 3.49Å; V77-A81 PolarHBondContact O-N 3.22Å; V77-A108 HydrophobicContact CG2-CB 3.77Å; V77-I111 HydrophobicContact CG1-CG2 4.2Å; V77-I111 HydrophobicContact CG2-CB 4.03Å; V77-I111 HydrophobicContact CG2-CD1 4.13Å; V77-I111 HydrophobicContact CG2-CG2 4Å
78D97.7Very high96.5Very high77 Ų7752.8 Ų52.841%0.41228%0.278SS..Hα-helixtrans-64.3-41.8-179.4-44.4-80.7000111.6S76 A81 S82 V112S76-D78 VanDerWaalsContact C-N 3.33Å; S76-D78 PolarHBondContact O-N 3.41Å; D78-A81 WeakPolarHBondContact O-CB 3.4Å; D78-A81 PolarHBondContact O-N 2.79Å; D78-S82 PolarHBondContact O-N 3.36Å; D78-S82 PolarHBondContact O-OG 2.93Å; D78-V112 HydrophobicContact CB-CG2 4.37Å
79Q98.2Very high96.1Very high84 Ų8449.6 Ų49.639%0.39326%0.261SS..Hα-helixtrans-66.9-40.4178.4-69.8-171.8-12.300111.7W74 S76 V77 S82 A83W74-Q79 HydrophobicContact CB-CB 4.39Å; S76-Q79 PolarHBondContact O-N 3.46Å; S76-Q79 PolarHBondContact OG-N 3.09Å; V77-Q79 PolarHBondContact O-N 3.36Å; Q79-S82 PolarHBondContact O-N 3.22Å; Q79-S82 PolarHBondContact O-OG 3.27Å; Q79-A83 PolarHBondContact O-N 3Å
80L98.5Very high95.7Very high0 Ų046.6 Ų46.60%026%0.256CS..Hα-helixtrans-64.6-40.6172.7178.561.4000111.6Y46 W70 W74 S76 V77 S82 A83 V88 L104 H105 A108Y46-L80 HydrophobicContact CE2-CB 4.21Å; Y46-L80 HydrophobicContact CE2-CD2 3.8Å; W70-L80 HydrophobicContact CH2-CD1 3.92Å; W70-L80 HydrophobicContact CZ2-CD1 3.4Å; W70-L80 HydrophobicContact CZ2-CD2 3.73Å; W70-L80 HydrophobicContact CZ2-CG 4.22Å; W74-L80 HydrophobicContact CB-CB 4.18Å; W74-L80 HydrophobicContact CD2-CD1 4.11Å; W74-L80 HydrophobicContact CE3-CD1 4.02Å; W74-L80 HydrophobicContact CG-CB 4.43Å; W74-L80 HydrophobicContact CG-CD1 4.43Å; W74-L80 HydrophobicContact CZ3-CD1 4.49Å; S76-L80 PolarHBondContact O-N 3.15Å; V77-L80 PolarHBondContact O-N 3.45Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 2.73Å; L80-A83 VanDerWaalsContact O-CB 3.26Å; L80-A83 WeakPolarHBondContact O-CB 3.28Å; L80-A83 PolarHBondContact O-N 3.22Å; L80-A83 VanDerWaalsContact O-N 3.16Å; L80-V88 HydrophobicContact CD1-CG2 3.94Å; L80-L104 HydrophobicContact CD2-CG 4.01Å; L80-H105 PolarHBondContact O-CD2 3.43Å; L80-H105 PolarHBondContact O-NE2 3.5Å; L80-A108 HydrophobicContact CB-CB 4.18Å; L80-A108 HydrophobicContact CD2-CB 3.82Å; L80-A108 HydrophobicContact CG-CB 3.91Å
81A98.3Very high95.5Very high14 Ų1448.1 Ų48.112%0.11626%0.264CS..Hα-helixtrans-62.3-34.6179.300000112.9V77 D78 A83 H105 A108 Q109 V112V77-A81 WeakPolarHBondContact O-CB 3.49Å; V77-A81 PolarHBondContact O-N 3.22Å; D78-A81 WeakPolarHBondContact O-CB 3.4Å; D78-A81 PolarHBondContact O-N 2.79Å; A81-A83 VanDerWaalsContact C-N 3.29Å; A81-A83 PolarHBondContact O-N 2.66Å; A81-H105 PolarHBondContact O-NE2 3.42Å; A81-A108 HydrophobicContact CB-CB 4.2Å; A81-Q109 HydrophobicContact CB-CG 4.09Å; A81-Q109 WeakPolarHBondContact O-CG 3.47Å; A81-Q109 PolarHBondContact O-NE2 2.92Å; A81-V112 HydrophobicContact CB-CB 4.3Å; A81-V112 HydrophobicContact CB-CG2 3.59Å
82S98Very high95.3Very high98 Ų9847.1 Ų47.169%0.68526%0.259SS*.THydrogen-bonded Turntrans-77.7-8.6177.171.60000114.5D78 Q79 L80D78-S82 PolarHBondContact O-N 3.36Å; D78-S82 PolarHBondContact O-OG 2.93Å; Q79-S82 PolarHBondContact O-N 3.22Å; Q79-S82 PolarHBondContact O-OG 3.27Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 2.73Å
83A97.7Very high94.9Very high14 Ų1438.9 Ų38.912%0.11623%0.225CC..SBendtrans-72152.4-174.600000112.4W74 Q79 L80 A81 V88 H105W74-A83 HydrophobicContact CZ2-CB 3.74Å; Q79-A83 PolarHBondContact O-N 3Å; L80-A83 VanDerWaalsContact O-CB 3.26Å; L80-A83 WeakPolarHBondContact O-CB 3.28Å; L80-A83 PolarHBondContact O-N 3.22Å; L80-A83 VanDerWaalsContact O-N 3.16Å; A81-A83 VanDerWaalsContact C-N 3.29Å; A81-A83 PolarHBondContact O-N 2.66Å; A83-V88 HydrophobicContact CB-CG2 4.01Å; A83-H105 PolarHBondContact O-CE1 3.47Å; A83-H105 PolarHBondContact O-NE2 2.77Å; A83-H105 VanDerWaalsContact O-NE2 3.13Å
84S94Very high94.3Very high54 Ų5436.1 Ų36.138%0.37822%0.221SC..  trans-71.6147.9167.8820000110D86 D87 V88S84-D86 PolarHBondContact O-N 2.84Å; S84-D87 PolarHBondContact O-N 2.86Å; S84-D87 VanDerWaalsContact OG-CB 3.31Å; S84-D87 WeakPolarHBondContact OG-CB 3.31Å; S84-D87 VanDerWaalsContact OG-CG 3.29Å; S84-D87 PolarHBondContact OG-N 3.23Å; S84-D87 PolarHBondContact OG-OD1 3.02Å; S84-D87 VanDerWaalsContact OG-OD1 3.13Å; S84-V88 WeakPolarHBondContact O-CG2 3.22Å; S84-V88 PolarHBondContact O-N 3.18Å; S84-V88 VanDerWaalsContact O-N 3.12Å
85L90.3Very high93.9Very high71 Ų7136 Ų3637%0.37222%0.221SC..Hα-helixtrans-63.3-31.7175.3-179.661000111.8V88 N89 R102L85-V88 PolarHBondContact O-N 3.33Å; L85-N89 WeakPolarHBondContact O-CB 3.42Å; L85-N89 VanDerWaalsContact O-CG 3.23Å; L85-N89 PolarHBondContact O-N 3.06Å; L85-N89 PolarHBondContact O-ND2 2.75Å; L85-R102 HydrophobicContact CD1-CB 4.38Å; L85-R102 HydrophobicContact CD1-CG 4.14Å
86D87.6Confident93.4Very high58 Ų5834.2 Ų34.231%0.3121%0.213SC..Hα-helixtrans-65-45.3176.3-83-5.8000111.1S84 V88 N89 S90S84-D86 PolarHBondContact O-N 2.84Å; D86-V88 VanDerWaalsContact C-N 3.31Å; D86-V88 PolarHBondContact O-N 3.18Å; D86-N89 PolarHBondContact O-N 3.48Å; D86-S90 WeakPolarHBondContact O-CB 3.37Å; D86-S90 PolarHBondContact O-N 3.09Å; D86-S90 PolarHBondContact O-OG 3.37Å
87D92.1Very high92.8Very high69 Ų6937.4 Ų37.437%0.36922%0.222SC..Hα-helixtrans-59.7-43.7175.3-83.228000111.7K73 W74 S84 S90 L91K73-D87 IonicContact NZ-OD2 3.67Å; K73-D87 PolarHBondContact NZ-OD2 3.45Å; W74-D87 HydrophobicContact CH2-CB 4.23Å; W74-D87 HydrophobicContact CZ2-CB 3.91Å; S84-D87 PolarHBondContact O-N 2.86Å; S84-D87 VanDerWaalsContact OG-CB 3.31Å; S84-D87 WeakPolarHBondContact OG-CB 3.31Å; S84-D87 VanDerWaalsContact OG-CG 3.29Å; S84-D87 PolarHBondContact OG-N 3.23Å; S84-D87 PolarHBondContact OG-OD1 3.02Å; S84-D87 VanDerWaalsContact OG-OD1 3.13Å; D87-S90 PolarHBondContact O-N 3.09Å; D87-L91 PolarHBondContact O-N 2.97Å
88V94.9Very high92.2Very high0 Ų037.6 Ų37.60%022%0.223CC..Hα-helixtrans-59.3-48.1176.21660000110.7W70 W74 L80 A83 S84 L85 D86 L91 W92 A101 H105W70-V88 HydrophobicContact CH2-CG1 3.95Å; W70-V88 HydrophobicContact CZ3-CG1 4.36Å; W74-V88 HydrophobicContact CH2-CG2 4.07Å; W74-V88 HydrophobicContact CZ2-CG2 4.4Å; W74-V88 HydrophobicContact CZ3-CG2 4.49Å; L80-V88 HydrophobicContact CD1-CG2 3.94Å; A83-V88 HydrophobicContact CB-CG2 4.01Å; S84-V88 WeakPolarHBondContact O-CG2 3.22Å; S84-V88 PolarHBondContact O-N 3.18Å; S84-V88 VanDerWaalsContact O-N 3.12Å; L85-V88 PolarHBondContact O-N 3.33Å; D86-V88 VanDerWaalsContact C-N 3.31Å; D86-V88 PolarHBondContact O-N 3.18Å; V88-L91 PolarHBondContact O-N 3.42Å; V88-W92 WeakPolarHBondContact O-CB 3.5Å; V88-W92 PolarHBondContact O-N 2.74Å; V88-W92 VanDerWaalsContact O-N 3.08Å; V88-A101 HydrophobicContact CG1-CB 3.87Å; V88-H105 HydrophobicContact CG1-CB 4.31Å; V88-H105 HydrophobicContact CG2-CB 4.29Å
89N90.5Very high91.9Very high4 Ų436.9 Ų36.92%0.02122%0.223CC..Hα-helixtrans-66.9-38-180-71.2-28.4000112.1L85 D86 W92 S93 L312 A430L85-N89 WeakPolarHBondContact O-CB 3.42Å; L85-N89 VanDerWaalsContact O-CG 3.23Å; L85-N89 PolarHBondContact O-N 3.06Å; L85-N89 PolarHBondContact O-ND2 2.75Å; D86-N89 PolarHBondContact O-N 3.48Å; N89-W92 PolarHBondContact O-N 3.04Å; N89-S93 PolarHBondContact O-N 3.16Å; N89-L312 HydrophobicContact CB-CD2 4.19Å; N89-A430 HydrophobicContact CB-CB 3.55Å
90S89.9Confident91.7Very high43 Ų4333.6 Ų33.630%0.30121%0.208SC..Hα-helixtrans-63.5-46.3176.5-78.50000111.3D86 D87 W92 S93 D428D86-S90 WeakPolarHBondContact O-CB 3.37Å; D86-S90 PolarHBondContact O-N 3.09Å; D86-S90 PolarHBondContact O-OG 3.37Å; D87-S90 PolarHBondContact O-N 3.09Å; S90-W92 VanDerWaalsContact C-N 3.28Å; S90-W92 PolarHBondContact O-N 3.44Å; S90-S93 WeakPolarHBondContact O-CB 3.32Å; S90-S93 PolarHBondContact O-N 3.26Å; S90-S93 VanDerWaalsContact O-N 3.14Å; S90-D428 PolarHBondContact OG-O 2.83Å
91L93.2Very high91.5Very high32 Ų3233.6 Ų33.617%0.16821%0.208CC..Hα-helixtrans-69.3-27.5179.5-142.374.3000113W70 K73 W74 D87 V88W70-L91 HydrophobicContact CB-CD2 4.25Å; W70-L91 HydrophobicContact CE3-CB 4.41Å; W70-L91 HydrophobicContact CE3-CD2 4.11Å; K73-L91 HydrophobicContact CB-CD2 4.11Å; K73-L91 HydrophobicContact CD-CD1 4.28Å; K73-L91 HydrophobicContact CD-CD2 4.1Å; W74-L91 HydrophobicContact CE3-CD2 3.95Å; W74-L91 HydrophobicContact CH2-CB 4.07Å; W74-L91 HydrophobicContact CH2-CD2 3.99Å; W74-L91 HydrophobicContact CZ3-CB 3.96Å; W74-L91 HydrophobicContact CZ3-CD2 3.39Å; W74-L91 HydrophobicContact CZ3-CG 4.3Å; D87-L91 PolarHBondContact O-N 2.97Å; V88-L91 PolarHBondContact O-N 3.42Å
92W94.1Very high91.3Very high0 Ų036 Ų360%021%0.213CC..Hα-helixtrans-83.2-10.6174.4-156-90.4000113.9V53 M54 W70 V88 N89 S90 G94 L95 G96 Y98 R100 A101 L104V53-W92 HydrophobicContact CG1-CH2 3.86Å; V53-W92 HydrophobicContact CG1-CZ2 4.29Å; M54-W92 HydrophobicContact CB-CH2 4.28Å; M54-W92 HydrophobicContact CE-CE3 4.1Å; M54-W92 HydrophobicContact CE-CH2 4.43Å; M54-W92 HydrophobicContact CE-CZ3 3.65Å; M54-W92 HydrophobicContact CG-CH2 3.41Å; M54-W92 VanDerWaalsContact CG-CH2 3.41Å; M54-W92 HydrophobicContact CG-CZ2 4.27Å; M54-W92 HydrophobicContact CG-CZ3 3.61Å; W70-W92 AromaticContact CE3-CE3 3.91Å; W70-W92 HydrophobicContact CE3-CE3 3.91Å; W70-W92 HydrophobicContact CE3-CZ3 4.27Å; W70-W92 AromaticContact CH2-CE3 3.99Å; W70-W92 HydrophobicContact CH2-CE3 3.99Å; W70-W92 HydrophobicContact CH2-CZ3 4.19Å; W70-W92 AromaticContact CZ3-CE3 3.47Å; W70-W92 HydrophobicContact CZ3-CE3 3.47Å; W70-W92 VanDerWaalsContact CZ3-CE3 3.47Å; W70-W92 AromaticContact CZ3-CZ3 4Å; W70-W92 HydrophobicContact CZ3-CZ3 4Å; V88-W92 WeakPolarHBondContact O-CB 3.5Å; V88-W92 PolarHBondContact O-N 2.74Å; V88-W92 VanDerWaalsContact O-N 3.08Å; N89-W92 PolarHBondContact O-N 3.04Å; S90-W92 VanDerWaalsContact C-N 3.28Å; S90-W92 PolarHBondContact O-N 3.44Å; W92-G94 PolarHBondContact O-N 3.1Å; W92-L95 HydrophobicContact CD2-CD2 4.08Å; W92-L95 HydrophobicContact CE3-CD2 4.41Å; W92-L95 HydrophobicContact CG-CB 4.38Å; W92-L95 HydrophobicContact CH2-CD2 4.12Å; W92-L95 HydrophobicContact CZ2-CD2 3.74Å; W92-L95 HydrophobicContact CZ3-CD2 4.44Å; W92-L95 WeakPolarHBondContact O-CB 3.42Å; W92-L95 PolarHBondContact O-N 2.93Å; W92-G96 PolarHBondContact NE1-O 3.37Å; W92-G96 VanDerWaalsContact NE1-O 3.09Å; W92-Y98 AromaticContact CD1-CD1 3.94Å; W92-R100 HydrophobicContact CZ2-CB 3.84Å; W92-A101 HydrophobicContact CB-CB 3.9Å; W92-A101 HydrophobicContact CD2-CB 3.47Å; W92-A101 VanDerWaalsContact CD2-CB 3.47Å; W92-A101 HydrophobicContact CE3-CB 3.81Å; W92-A101 HydrophobicContact CG-CB 3.52Å; W92-A101 HydrophobicContact CZ3-CB 4.47Å; W92-L104 HydrophobicContact CH2-CD2 4.4Å; W92-L104 HydrophobicContact CZ3-CD2 4.03Å
93S88.3Confident91.2Very high12 Ų1234 Ų348%0.08420%0.195CC..THydrogen-bonded Turntrans-55.5123.8-176.3-173.30000111Y66 N89 S90 I431 R436Y66-S93 WeakPolarHBondContact CE1-O 3.46Å; Y66-S93 PolarHBondContact OH-O 3.21Å; Y66-S93 VanDerWaalsContact OH-O 3.1Å; N89-S93 PolarHBondContact O-N 3.16Å; S90-S93 WeakPolarHBondContact O-CB 3.32Å; S90-S93 PolarHBondContact O-N 3.26Å; S90-S93 VanDerWaalsContact O-N 3.14Å; S93-I431 PolarHBondContact OG-O 3.13Å; S93-R436 PolarHBondContact OG-NH2 3.41Å
94G87Confident91.2Very high29 Ų2933.4 Ų33.430%0.29919%0.19SC..THydrogen-bonded Turntrans101.9-20.6-177.200000115.2Y66 W92 G96 Y98Y66-G94 WeakPolarHBondContact OH-CA 3.4Å; W92-G94 PolarHBondContact O-N 3.1Å; G94-G96 VanDerWaalsContact C-N 3.35Å; G94-Y98 PolarHBondContact N-OH 3.19Å; G94-Y98 VanDerWaalsContact N-OH 3.09Å
95L89.9Confident91.4Very high10 Ų1031.3 Ų31.35%0.05217%0.174CC..SBendtrans-80.2-16.8-179.1-152.468.1000113.6M54 T58 T62 Y66 W92 R100M54-L95 HydrophobicContact CB-CD2 4.01Å; M54-L95 HydrophobicContact CG-CD2 3.78Å; M54-L95 HydrophobicContact SD-CD2 4.41Å; T58-L95 HydrophobicContact CG2-CD1 3.71Å; T58-L95 HydrophobicContact CG2-CG 4.17Å; T62-L95 HydrophobicContact CG2-CD1 4.15Å; Y66-L95 HydrophobicContact CD1-CB 4.15Å; Y66-L95 HydrophobicContact CD1-CD1 4Å; Y66-L95 HydrophobicContact CD1-CD2 4.4Å; Y66-L95 HydrophobicContact CD1-CG 4.43Å; Y66-L95 HydrophobicContact CD2-CD1 3.83Å; Y66-L95 HydrophobicContact CE1-CB 4.02Å; Y66-L95 HydrophobicContact CE1-CD1 4.25Å; Y66-L95 HydrophobicContact CE2-CD1 4.09Å; Y66-L95 HydrophobicContact CG-CD1 3.76Å; W92-L95 HydrophobicContact CD2-CD2 4.08Å; W92-L95 HydrophobicContact CE3-CD2 4.41Å; W92-L95 HydrophobicContact CG-CB 4.38Å; W92-L95 HydrophobicContact CH2-CD2 4.12Å; W92-L95 HydrophobicContact CZ2-CD2 3.74Å; W92-L95 HydrophobicContact CZ3-CD2 4.44Å; W92-L95 WeakPolarHBondContact O-CB 3.42Å; W92-L95 PolarHBondContact O-N 2.93Å; L95-R100 PolarHBondContact O-NH2 3.14Å; L95-R100 VanDerWaalsContact O-NH2 3.13Å
96G86.2Confident91.7Very high20 Ų2033.2 Ų33.221%0.20618%0.179CC..  trans73.4173.4-178.700000113.9W92 G94 Y98 R100W92-G96 PolarHBondContact NE1-O 3.37Å; W92-G96 VanDerWaalsContact NE1-O 3.09Å; G94-G96 VanDerWaalsContact C-N 3.35Å; G96-Y98 PolarHBondContact O-N 2.64Å; G96-R100 PolarHBondContact O-NH2 2.85Å
97Y84.4Confident92.2Very high90 Ų9030.5 Ų30.535%0.35317%0.165SC..  trans47.157.8-177.2-57.5-89.1000113Q57 S99 R100 S371Q57-Y97 HydrophobicContact CB-CD2 4.48Å; Q57-Y97 HydrophobicContact CB-CE2 3.81Å; Q57-Y97 PolarHBondContact OE1-OH 2.93Å; Y97-S99 PolarHBondContact O-N 3.29Å; Y97-S99 VanDerWaalsContact O-N 3.07Å; Y97-R100 WeakPolarHBondContact O-CB 3.47Å; Y97-R100 WeakPolarHBondContact O-CG 3.37Å; Y97-R100 PolarHBondContact O-N 3.03Å; Y97-R100 PolarHBondContact O-NE 3.24Å; Y97-S371 PolarHBondContact OH-OG 3.18Å
98Y86.5Confident92.5Very high11 Ų1127.2 Ų27.24%0.04315%0.147CC..THydrogen-bonded Turntrans-59.7-19.9-174-66.5-92.4000115W92 G94 G96 R100 A101 R102 L309 L312W92-Y98 AromaticContact CD1-CD1 3.94Å; G94-Y98 PolarHBondContact N-OH 3.19Å; G94-Y98 VanDerWaalsContact N-OH 3.09Å; G96-Y98 PolarHBondContact O-N 2.64Å; Y98-R100 PolarHBondContact O-N 3.38Å; Y98-A101 PolarHBondContact O-N 3.21Å; Y98-R102 PolarHBondContact O-N 3.31Å; Y98-L309 HydrophobicContact CD2-CD2 4.13Å; Y98-L309 HydrophobicContact CE2-CD2 4.21Å; Y98-L312 HydrophobicContact CD1-CD1 4.04Å; Y98-L312 HydrophobicContact CD1-CD2 3.62Å; Y98-L312 HydrophobicContact CD1-CG 4.32Å; Y98-L312 HydrophobicContact CD2-CD1 3.59Å; Y98-L312 HydrophobicContact CD2-CG 4.45Å; Y98-L312 HydrophobicContact CE1-CD1 3.93Å; Y98-L312 HydrophobicContact CE1-CD2 3.82Å; Y98-L312 HydrophobicContact CE2-CD1 3.5Å; Y98-L312 VanDerWaalsContact CE2-CD1 3.5Å; Y98-L312 HydrophobicContact CG-CD1 3.85Å; Y98-L312 HydrophobicContact CG-CD2 4.02Å; Y98-L312 HydrophobicContact CG-CG 4.26Å
99S90.2Very high92.7Very high61 Ų6130.4 Ų30.443%0.42716%0.162SC..Hα-helixtrans-55.7-30.4169.2540000112.3Y97 L103Y97-S99 PolarHBondContact O-N 3.29Å; Y97-S99 VanDerWaalsContact O-N 3.07Å; S99-L103 WeakPolarHBondContact O-CB 3.47Å; S99-L103 VanDerWaalsContact O-CG 3.22Å; S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 2.81Å
100R94.6Very high93Very high16 Ų1632.7 Ų32.76%0.0617%0.172CC..Hα-helixtrans-61.3-52174.8-68.6-174.3-63166.8-14.1112.1V53 M54 Q56 T58 W92 L95 G96 Y97 Y98 R102 L103 L104V53-R100 HydrophobicContact CG1-CB 3.72Å; V53-R100 HydrophobicContact CG1-CG 4.33Å; V53-R100 WeakPolarHBondContact O-CD 3.43Å; V53-R100 PolarHBondContact O-NH1 3.23Å; M54-R100 PolarHBondContact O-NH1 2.94Å; Q56-R100 PolarHBondContact O-NH1 2.88Å; Q56-R100 VanDerWaalsContact OE1-CD 3.25Å; T58-R100 PolarHBondContact OG1-NH1 2.8Å; T58-R100 PolarHBondContact OG1-NH2 3.03Å; W92-R100 HydrophobicContact CZ2-CB 3.84Å; L95-R100 PolarHBondContact O-NH2 3.14Å; L95-R100 VanDerWaalsContact O-NH2 3.13Å; G96-R100 PolarHBondContact O-NH2 2.85Å; Y97-R100 WeakPolarHBondContact O-CB 3.47Å; Y97-R100 WeakPolarHBondContact O-CG 3.37Å; Y97-R100 PolarHBondContact O-N 3.03Å; Y97-R100 PolarHBondContact O-NE 3.24Å; Y98-R100 PolarHBondContact O-N 3.38Å; R100-R102 VanDerWaalsContact C-N 3.3Å; R100-R102 PolarHBondContact O-N 3.34Å; R100-L103 PolarHBondContact O-N 2.8Å; R100-L104 VanDerWaalsContact O-CB 3.28Å; R100-L104 WeakPolarHBondContact O-CB 3.45Å; R100-L104 PolarHBondContact O-N 3.24Å
101A94.3Very high93.5Very high0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-59.2-43.8179.200000111.4V88 W92 Y98 L104 H105V88-A101 HydrophobicContact CG1-CB 3.87Å; W92-A101 HydrophobicContact CB-CB 3.9Å; W92-A101 HydrophobicContact CD2-CB 3.47Å; W92-A101 VanDerWaalsContact CD2-CB 3.47Å; W92-A101 HydrophobicContact CE3-CB 3.81Å; W92-A101 HydrophobicContact CG-CB 3.52Å; W92-A101 HydrophobicContact CZ3-CB 4.47Å; Y98-A101 PolarHBondContact O-N 3.21Å; A101-L104 WeakPolarHBondContact O-CB 3.48Å; A101-L104 PolarHBondContact O-N 3.03Å; A101-H105 WeakPolarHBondContact O-CB 3.28Å; A101-H105 PolarHBondContact O-N 2.73Å
102R93.3Very high93.7Very high63 Ų6331.1 Ų31.124%0.23816%0.162CC..Hα-helixtrans-64.6-42.2178.1-173.818068.4-175.76.3112.7L85 Y98 R100 K106 K305L85-R102 HydrophobicContact CD1-CB 4.38Å; L85-R102 HydrophobicContact CD1-CG 4.14Å; Y98-R102 PolarHBondContact O-N 3.31Å; R100-R102 VanDerWaalsContact C-N 3.3Å; R100-R102 PolarHBondContact O-N 3.34Å; R102-K106 WeakPolarHBondContact O-CB 3.08Å; R102-K106 WeakPolarHBondContact O-CG 3.36Å; R102-K106 PolarHBondContact O-N 3.42Å; R102-K305 PolarHBondContact NH1-O 2.87Å
103L95.8Very high93.9Very high57 Ų5736.9 Ų36.930%0.29819%0.193SC..Hα-helixtrans-69-38.8177.3-72.9167.9000111.4S99 R100 K106 G107 P131S99-L103 WeakPolarHBondContact O-CB 3.47Å; S99-L103 VanDerWaalsContact O-CG 3.22Å; S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 2.81Å; R100-L103 PolarHBondContact O-N 2.8Å; L103-K106 PolarHBondContact O-N 3.42Å; L103-G107 PolarHBondContact O-N 3.36Å; L103-P131 HydrophobicContact CD2-CB 3.81Å
104L97.7Very high94.3Very high2 Ų242.2 Ų42.21%0.0122%0.216CC..Hα-helixtrans-58.7-48.2173179.562.1000111W49 V50 V53 W70 L80 W92 R100 A101 G107 A108W49-L104 HydrophobicContact CD2-CD1 3.47Å; W49-L104 VanDerWaalsContact CD2-CD1 3.47Å; W49-L104 HydrophobicContact CE3-CD1 3.65Å; W49-L104 HydrophobicContact CG-CD1 4.12Å; W49-L104 HydrophobicContact CH2-CD1 3.72Å; W49-L104 WeakPolarHBondContact CH2-O 3.4Å; W49-L104 HydrophobicContact CZ2-CD1 3.51Å; W49-L104 HydrophobicContact CZ3-CD1 3.79Å; V50-L104 HydrophobicContact CG2-CD1 4.5Å; V50-L104 HydrophobicContact CG2-CD2 4.37Å; V53-L104 HydrophobicContact CG1-CB 4.45Å; V53-L104 HydrophobicContact CG1-CD2 4.4Å; V53-L104 HydrophobicContact CG2-CD1 4.34Å; W70-L104 HydrophobicContact CH2-CD2 4.07Å; W70-L104 HydrophobicContact CZ2-CD2 3.59Å; W70-L104 HydrophobicContact CZ2-CG 4.34Å; L80-L104 HydrophobicContact CD2-CG 4.01Å; W92-L104 HydrophobicContact CH2-CD2 4.4Å; W92-L104 HydrophobicContact CZ3-CD2 4.03Å; R100-L104 VanDerWaalsContact O-CB 3.28Å; R100-L104 WeakPolarHBondContact O-CB 3.45Å; R100-L104 PolarHBondContact O-N 3.24Å; A101-L104 WeakPolarHBondContact O-CB 3.48Å; A101-L104 PolarHBondContact O-N 3.03Å; L104-G107 PolarHBondContact O-N 3.04Å; L104-A108 PolarHBondContact O-N 3.04Å
105H97.8Very high94.9Very high10 Ų1043.3 Ų43.35%0.04621%0.213CC..Hα-helixtrans-61.8-48.8176.4-179-150.7000112.3L80 A81 A83 V88 A101 G107 A108 Q109L80-H105 PolarHBondContact O-CD2 3.43Å; L80-H105 PolarHBondContact O-NE2 3.5Å; A81-H105 PolarHBondContact O-NE2 3.42Å; A83-H105 PolarHBondContact O-CE1 3.47Å; A83-H105 PolarHBondContact O-NE2 2.77Å; A83-H105 VanDerWaalsContact O-NE2 3.13Å; V88-H105 HydrophobicContact CG1-CB 4.31Å; V88-H105 HydrophobicContact CG2-CB 4.29Å; A101-H105 WeakPolarHBondContact O-CB 3.28Å; A101-H105 PolarHBondContact O-N 2.73Å; H105-G107 VanDerWaalsContact C-N 3.26Å; H105-G107 PolarHBondContact O-N 2.96Å; H105-A108 WeakPolarHBondContact O-CB 3.41Å; H105-A108 PolarHBondContact O-N 3.03Å; H105-A108 VanDerWaalsContact O-N 3.09Å; H105-Q109 PolarHBondContact CE1-NE2 3Å; H105-Q109 PolarHBondContact NE2-NE2 2.98Å; H105-Q109 WeakPolarHBondContact O-CG 3.44Å; H105-Q109 PolarHBondContact O-N 3.49Å
106K97.2Very high95.2Very high111 Ų11149.7 Ų49.748%0.48325%0.247SC..Hα-helixtrans-59.3-37.5175.3-76.2-173.5174.8-161.50112.8R102 L103 K110R102-K106 WeakPolarHBondContact O-CB 3.08Å; R102-K106 WeakPolarHBondContact O-CG 3.36Å; R102-K106 PolarHBondContact O-N 3.42Å; L103-K106 PolarHBondContact O-N 3.42Å; K106-K110 WeakPolarHBondContact O-CB 3.21Å; K106-K110 PolarHBondContact O-N 2.88Å
107G98.2Very high95.6Very high0 Ų049.2 Ų49.20%024%0.242CC..Hα-helixtrans-68.4-36.7175.900000112.3L103 L104 H105 K110 I111L103-G107 PolarHBondContact O-N 3.36Å; L104-G107 PolarHBondContact O-N 3.04Å; H105-G107 VanDerWaalsContact C-N 3.26Å; H105-G107 PolarHBondContact O-N 2.96Å; G107-K110 PolarHBondContact O-N 3.28Å; G107-I111 VanDerWaalsContact O-CG1 3.32Å; G107-I111 WeakPolarHBondContact O-CG1 3.41Å; G107-I111 PolarHBondContact O-N 3.28Å
108A98.5Very high96.3Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-63.4-45.6175.500000110.9W49 V77 L80 A81 L104 H105 K110 I111 V112W49-A108 HydrophobicContact CZ3-CB 4.45Å; V77-A108 HydrophobicContact CG2-CB 3.77Å; L80-A108 HydrophobicContact CB-CB 4.18Å; L80-A108 HydrophobicContact CD2-CB 3.82Å; L80-A108 HydrophobicContact CG-CB 3.91Å; A81-A108 HydrophobicContact CB-CB 4.2Å; L104-A108 PolarHBondContact O-N 3.04Å; H105-A108 WeakPolarHBondContact O-CB 3.41Å; H105-A108 PolarHBondContact O-N 3.03Å; H105-A108 VanDerWaalsContact O-N 3.09Å; A108-K110 VanDerWaalsContact C-N 3.34Å; A108-K110 PolarHBondContact O-N 3.35Å; A108-I111 PolarHBondContact O-N 3.14Å; A108-I111 VanDerWaalsContact O-N 3.17Å; A108-V112 WeakPolarHBondContact O-CG2 3.45Å; A108-V112 PolarHBondContact O-N 2.94Å; A108-V112 VanDerWaalsContact O-N 3.07Å
109Q98.6Very high96.8Very high68 Ų6849 Ų4932%0.31825%0.247SC..Hα-helixtrans-55.2-49.1172.7-67.8174.4-31.900111.4A81 H105 I111 V112 D113A81-Q109 HydrophobicContact CB-CG 4.09Å; A81-Q109 WeakPolarHBondContact O-CG 3.47Å; A81-Q109 PolarHBondContact O-NE2 2.92Å; H105-Q109 PolarHBondContact CE1-NE2 3Å; H105-Q109 PolarHBondContact NE2-NE2 2.98Å; H105-Q109 WeakPolarHBondContact O-CG 3.44Å; H105-Q109 PolarHBondContact O-N 3.49Å; Q109-I111 VanDerWaalsContact C-N 3.32Å; Q109-I111 PolarHBondContact O-N 3.2Å; Q109-V112 PolarHBondContact O-N 3.4Å; Q109-V112 VanDerWaalsContact O-N 3.14Å; Q109-D113 WeakPolarHBondContact O-CB 3.44Å; Q109-D113 VanDerWaalsContact O-CG 3.23Å; Q109-D113 PolarHBondContact O-N 3.45Å
110K98.2Very high97.2Very high51 Ų5146.6 Ų46.622%0.22223%0.23CC..Hα-helixtrans-60.9-36.9177.5-172.4173.9178.193.30113.5K106 G107 A108 E114 S129K106-K110 WeakPolarHBondContact O-CB 3.21Å; K106-K110 PolarHBondContact O-N 2.88Å; G107-K110 PolarHBondContact O-N 3.28Å; A108-K110 VanDerWaalsContact C-N 3.34Å; A108-K110 PolarHBondContact O-N 3.35Å; K110-E114 WeakPolarHBondContact CE-OE1 3.33Å; K110-E114 WeakPolarHBondContact CE-OE2 3.49Å; K110-E114 HydrophobicContact CG-CB 4.34Å; K110-E114 HydrophobicContact CG-CG 4.19Å; K110-E114 IonicContact NZ-OE1 2.73Å; K110-E114 PolarHBondContact NZ-OE1 2.87Å; K110-E114 IonicContact NZ-OE2 2.69Å; K110-E114 PolarHBondContact NZ-OE2 3.44Å; K110-E114 WeakPolarHBondContact O-CB 3.16Å; K110-E114 PolarHBondContact O-N 2.83Å; K110-S129 WeakPolarHBondContact CD-O 3.39Å; K110-S129 WeakPolarHBondContact CE-O 3.15Å
111I98.3Very high97.3Very high0 Ų050.5 Ų50.50%025%0.249CC..Hα-helixtrans-64.9-42.2176-70.2167.2000110.7W49 V77 G107 A108 Q109 F115 N116 G117 F119 I130W49-I111 HydrophobicContact CE3-CD1 4.43Å; W49-I111 HydrophobicContact CH2-CD1 4.21Å; W49-I111 HydrophobicContact CZ3-CD1 3.77Å; V77-I111 HydrophobicContact CG1-CG2 4.2Å; V77-I111 HydrophobicContact CG2-CB 4.03Å; V77-I111 HydrophobicContact CG2-CD1 4.13Å; V77-I111 HydrophobicContact CG2-CG2 4Å; G107-I111 VanDerWaalsContact O-CG1 3.32Å; G107-I111 WeakPolarHBondContact O-CG1 3.41Å; G107-I111 PolarHBondContact O-N 3.28Å; A108-I111 PolarHBondContact O-N 3.14Å; A108-I111 VanDerWaalsContact O-N 3.17Å; Q109-I111 VanDerWaalsContact C-N 3.32Å; Q109-I111 PolarHBondContact O-N 3.2Å; I111-F115 CarbonylContact O-C 3.6Å; I111-F115 VanDerWaalsContact O-C 3.28Å; I111-F115 VanDerWaalsContact O-CA 3.32Å; I111-F115 WeakPolarHBondContact O-CA 3.18Å; I111-F115 VanDerWaalsContact O-CB 3.3Å; I111-F115 WeakPolarHBondContact O-CB 3.44Å; I111-F115 PolarHBondContact O-N 3.26Å; I111-F115 VanDerWaalsContact O-N 3.12Å; I111-N116 PolarHBondContact O-N 3.41Å; I111-G117 PolarHBondContact O-N 2.83Å; I111-F119 HydrophobicContact CD1-CD2 3.89Å; I111-F119 HydrophobicContact CD1-CE2 3.66Å; I111-F119 HydrophobicContact CD1-CZ 4.13Å; I111-I130 HydrophobicContact CD1-CD1 4.15Å; I111-I130 HydrophobicContact CG1-CD1 3.66Å
112V98.2Very high97.4Very high43 Ų4352.2 Ų52.226%0.26126%0.261SS..Hα-helixtrans-64.2-50.7175.9176.30000110.7D78 A81 A108 Q109 N116 G117D78-V112 HydrophobicContact CB-CG2 4.37Å; A81-V112 HydrophobicContact CB-CB 4.3Å; A81-V112 HydrophobicContact CB-CG2 3.59Å; A108-V112 WeakPolarHBondContact O-CG2 3.45Å; A108-V112 PolarHBondContact O-N 2.94Å; A108-V112 VanDerWaalsContact O-N 3.07Å; Q109-V112 PolarHBondContact O-N 3.4Å; Q109-V112 VanDerWaalsContact O-N 3.14Å; V112-N116 WeakPolarHBondContact O-CA 3.32Å; V112-N116 PolarHBondContact O-N 3.38Å; V112-G117 PolarHBondContact O-N 3.2Å
113D98.1Very high97.7Very high121 Ų12149.8 Ų49.865%0.64725%0.254SS*.Hα-helixtrans-75.6-41.9-170.3-62.7-21.8000113.4Q109Q109-D113 WeakPolarHBondContact O-CB 3.44Å; Q109-D113 VanDerWaalsContact O-CG 3.23Å; Q109-D113 PolarHBondContact O-N 3.45Å
114E98.1Very high97.8Very high123 Ų12353.5 Ų53.558%0.57527%0.27SS*.Hα-helixtrans-105.1-18.9-172.5-62.9-178.7-144.400113.6K110K110-E114 WeakPolarHBondContact CE-OE1 3.33Å; K110-E114 WeakPolarHBondContact CE-OE2 3.49Å; K110-E114 HydrophobicContact CG-CB 4.34Å; K110-E114 HydrophobicContact CG-CG 4.19Å; K110-E114 IonicContact NZ-OE1 2.73Å; K110-E114 PolarHBondContact NZ-OE1 2.87Å; K110-E114 IonicContact NZ-OE2 2.69Å; K110-E114 PolarHBondContact NZ-OE2 3.44Å; K110-E114 WeakPolarHBondContact O-CB 3.16Å; K110-E114 PolarHBondContact O-N 2.83Å
115F97.7Very high97.8Very high53 Ų5356 Ų5623%0.23229%0.285CS..Hα-helixtrans-11712.8179-60.4-94.6000112.9I111 G117 I118 P120 V125 I130I111-F115 CarbonylContact O-C 3.6Å; I111-F115 VanDerWaalsContact O-C 3.28Å; I111-F115 VanDerWaalsContact O-CA 3.32Å; I111-F115 WeakPolarHBondContact O-CA 3.18Å; I111-F115 VanDerWaalsContact O-CB 3.3Å; I111-F115 WeakPolarHBondContact O-CB 3.44Å; I111-F115 PolarHBondContact O-N 3.26Å; I111-F115 VanDerWaalsContact O-N 3.12Å; F115-G117 PolarHBondContact O-N 3.22Å; F115-I118 VanDerWaalsContact CB-O 3.29Å; F115-I118 WeakPolarHBondContact CB-O 3.33Å; F115-I118 WeakPolarHBondContact O-CB 3.41Å; F115-I118 PolarHBondContact O-N 2.74Å; F115-P120 HydrophobicContact CD1-CG 3.84Å; F115-P120 HydrophobicContact CD2-CG 4.32Å; F115-P120 HydrophobicContact CE1-CG 3.88Å; F115-P120 HydrophobicContact CE2-CG 4.35Å; F115-P120 HydrophobicContact CG-CG 4.07Å; F115-P120 HydrophobicContact CZ-CG 4.13Å; F115-V125 HydrophobicContact CE1-CG1 3.74Å; F115-V125 HydrophobicContact CZ-CG1 3.97Å; F115-I130 HydrophobicContact CE2-CD1 4.08Å
116N96.9Very high97.8Very high143 Ų14355.5 Ų55.577%0.76528%0.283SS*.THydrogen-bonded Turntrans53.936.9179.4-57.3-44.3000113.2I111 V112 I118I111-N116 PolarHBondContact O-N 3.41Å; V112-N116 WeakPolarHBondContact O-CA 3.32Å; V112-N116 PolarHBondContact O-N 3.38Å; N116-I118 PolarHBondContact O-N 3.41Å
117G95.8Very high97.9Very high10 Ų1055.2 Ų55.210%0.10328%0.282CS..THydrogen-bonded Turntrans74.9-2.4-177.100000114.6I111 V112 F115 F119I111-G117 PolarHBondContact O-N 2.83Å; V112-G117 PolarHBondContact O-N 3.2Å; F115-G117 PolarHBondContact O-N 3.22Å; G117-F119 PolarHBondContact O-N 3.47Å
118I97.7Very high97.9Very high97 Ų9761.9 Ų61.950%0.49731%0.312SS..PPolyproline II helixtrans-82.9117.1177.9-55177.8000109.4F115 N116 P120F115-I118 VanDerWaalsContact CB-O 3.29Å; F115-I118 WeakPolarHBondContact CB-O 3.33Å; F115-I118 WeakPolarHBondContact O-CB 3.41Å; F115-I118 PolarHBondContact O-N 2.74Å; N116-I118 PolarHBondContact O-N 3.41Å; I118-P120 WeakPolarHBondContact O-CD 3.48Å
119F97.4Very high97.8Very high0 Ų063.8 Ų63.80%033%0.325CS..PPolyproline II helixtrans-64.8124179.3-153.2-77.6000110.7N42 W49 I111 G117 Q121 L126 I141 F146N42-F119 VanDerWaalsContact OD1-CB 3.3Å; N42-F119 WeakPolarHBondContact OD1-CB 3.47Å; N42-F119 PolarHBondContact OD1-N 2.81Å; W49-F119 HydrophobicContact CB-CE2 4.48Å; W49-F119 HydrophobicContact CB-CZ 3.86Å; W49-F119 HydrophobicContact CD2-CE2 4.31Å; W49-F119 AromaticContact CD2-CZ 3.95Å; W49-F119 HydrophobicContact CD2-CZ 3.95Å; W49-F119 AromaticContact CE3-CE2 3.53Å; W49-F119 HydrophobicContact CE3-CE2 3.53Å; W49-F119 AromaticContact CE3-CZ 3.63Å; W49-F119 HydrophobicContact CE3-CZ 3.63Å; W49-F119 HydrophobicContact CG-CZ 4.11Å; W49-F119 HydrophobicContact CZ3-CE2 4.09Å; W49-F119 HydrophobicContact CZ3-CZ 4.39Å; I111-F119 HydrophobicContact CD1-CD2 3.89Å; I111-F119 HydrophobicContact CD1-CE2 3.66Å; I111-F119 HydrophobicContact CD1-CZ 4.13Å; G117-F119 PolarHBondContact O-N 3.47Å; F119-Q121 WeakPolarHBondContact O-CG 3.4Å; F119-Q121 PolarHBondContact O-N 3.25Å; F119-L126 HydrophobicContact CD1-CD2 4.33Å; F119-L126 HydrophobicContact CE1-CD2 3.67Å; F119-L126 HydrophobicContact CZ-CD2 4.43Å; F119-I141 HydrophobicContact CE1-CG2 3.88Å; F119-F146 HydrophobicContact CB-CZ 4.45Å; F119-F146 AromaticContact CD1-CE2 3.91Å; F119-F146 HydrophobicContact CD1-CE2 3.91Å; F119-F146 AromaticContact CD1-CZ 3.86Å; F119-F146 HydrophobicContact CD1-CZ 3.86Å; F119-F146 HydrophobicContact CE1-CE2 4.41Å; F119-F146 HydrophobicContact CG-CZ 4.47Å
120P97.7Very high97.8Very high10 Ų1060.8 Ų60.87%0.06531%0.312CS..PPolyproline II helixtrans-62.8132.6179.7-2332.9000112.4F115 I118 V125 L126 I130 F146F115-P120 HydrophobicContact CD1-CG 3.84Å; F115-P120 HydrophobicContact CD2-CG 4.32Å; F115-P120 HydrophobicContact CE1-CG 3.88Å; F115-P120 HydrophobicContact CE2-CG 4.35Å; F115-P120 HydrophobicContact CG-CG 4.07Å; F115-P120 HydrophobicContact CZ-CG 4.13Å; I118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-V125 HydrophobicContact CB-CB 4.32Å; P120-V125 HydrophobicContact CB-CG1 3.72Å; P120-V125 HydrophobicContact CG-CG1 4.28Å; P120-L126 HydrophobicContact CB-CD2 3.9Å; P120-L126 HydrophobicContact CB-CG 4.12Å; P120-L126 HydrophobicContact CG-CD2 4.32Å; P120-L126 WeakPolarHBondContact O-CD2 3.27Å; P120-L126 WeakPolarHBondContact O-CG 3.33Å; P120-I130 HydrophobicContact CG-CD1 4.22Å; P120-I130 HydrophobicContact CG-CG1 4.47Å; P120-F146 WeakPolarHBondContact O-CE2 3.41Å
121Q96.9Very high97.7Very high99 Ų9960.4 Ų60.446%0.46331%0.314SS..  trans-99.2-13.1-169.8-57.8-172.72.300114.6F119 F146F119-Q121 WeakPolarHBondContact O-CG 3.4Å; F119-Q121 PolarHBondContact O-N 3.25Å; Q121-F146 VanDerWaalsContact CA-CD2 3.46Å; Q121-F146 HydrophobicContact CB-CB 4.2Å; Q121-F146 HydrophobicContact CB-CD1 4.08Å; Q121-F146 HydrophobicContact CB-CD2 3.89Å; Q121-F146 HydrophobicContact CB-CE1 4.45Å; Q121-F146 HydrophobicContact CB-CE2 4.27Å; Q121-F146 HydrophobicContact CB-CG 3.78Å; Q121-F146 HydrophobicContact CG-CD1 3.78Å; Q121-F146 HydrophobicContact CG-CD2 4.2Å; Q121-F146 HydrophobicContact CG-CE1 3.77Å; Q121-F146 HydrophobicContact CG-CE2 4.19Å; Q121-F146 HydrophobicContact CG-CG 4Å; Q121-F146 HydrophobicContact CG-CZ 3.98Å; Q121-F146 WeakPolarHBondContact O-CD2 3.3Å
122S97.8Very high97.4Very high36 Ų3662.4 Ų62.425%0.25234%0.335SS..SBendtrans-101140.7179.782.40000112E124 V125 L126S122-E124 PolarHBondContact O-N 2.97Å; S122-V125 PolarHBondContact O-N 3.35Å; S122-V125 WeakPolarHBondContact OG-CB 3.28Å; S122-V125 WeakPolarHBondContact OG-CG2 3.16Å; S122-V125 PolarHBondContact OG-N 2.87Å; S122-V125 VanDerWaalsContact OG-N 3.14Å; S122-L126 WeakPolarHBondContact O-CB 3.33Å; S122-L126 VanDerWaalsContact O-CG 3.26Å; S122-L126 WeakPolarHBondContact O-CG 3.14Å; S122-L126 PolarHBondContact O-N 3.23Å
123A98.4Very high97.4Very high12 Ų1260.7 Ų60.710%0.09933%0.325CS..Hα-helixtrans-58.1-33.5175.200000112K127 A138 A142 T150A123-K127 WeakPolarHBondContact O-CB 3.36Å; A123-K127 PolarHBondContact O-N 2.82Å; A123-A138 HydrophobicContact CB-CB 4.21Å; A123-A138 VanDerWaalsContact O-CB 3.3Å; A123-A138 WeakPolarHBondContact O-CB 3.25Å; A123-A142 HydrophobicContact CB-CB 3.8Å; A123-T150 HydrophobicContact CB-CG2 4.19Å
124E98.3Very high97.3Very high135 Ų13556.7 Ų56.763%0.63131%0.312SS*.Hα-helixtrans-67.1-48.3179-175.8171.8-165.400112S122 K127 H128S122-E124 PolarHBondContact O-N 2.97Å; E124-K127 PolarHBondContact O-N 2.68Å; E124-H128 PolarHBondContact O-N 2.91Å; E124-H128 PolarHBondContact O-ND1 2.96Å
125V98.3Very high97.3Very high53 Ų5355.1 Ų55.132%0.32130%0.301SS..Hα-helixtrans-67.5-43.6178.6175.70000110.2F115 P120 S122 K127 H128 S129F115-V125 HydrophobicContact CE1-CG1 3.74Å; F115-V125 HydrophobicContact CZ-CG1 3.97Å; P120-V125 HydrophobicContact CB-CB 4.32Å; P120-V125 HydrophobicContact CB-CG1 3.72Å; P120-V125 HydrophobicContact CG-CG1 4.28Å; S122-V125 PolarHBondContact O-N 3.35Å; S122-V125 WeakPolarHBondContact OG-CB 3.28Å; S122-V125 WeakPolarHBondContact OG-CG2 3.16Å; S122-V125 PolarHBondContact OG-N 2.87Å; S122-V125 VanDerWaalsContact OG-N 3.14Å; V125-K127 VanDerWaalsContact C-N 3.32Å; V125-K127 PolarHBondContact O-N 3.1Å; V125-H128 PolarHBondContact O-N 3Å; V125-S129 VanDerWaalsContact O-CB 3.26Å; V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 3.29Å; V125-S129 PolarHBondContact O-OG 3.13Å
126L98.5Very high97.3Very high1 Ų155 Ų551%0.00530%0.299CS..Hα-helixtrans-56-46.7176.6-76168.9000111.9F119 P120 S122 I130 V133 A138 I141 A142F119-L126 HydrophobicContact CD1-CD2 4.33Å; F119-L126 HydrophobicContact CE1-CD2 3.67Å; F119-L126 HydrophobicContact CZ-CD2 4.43Å; P120-L126 HydrophobicContact CB-CD2 3.9Å; P120-L126 HydrophobicContact CB-CG 4.12Å; P120-L126 HydrophobicContact CG-CD2 4.32Å; P120-L126 WeakPolarHBondContact O-CD2 3.27Å; P120-L126 WeakPolarHBondContact O-CG 3.33Å; S122-L126 WeakPolarHBondContact O-CB 3.33Å; S122-L126 VanDerWaalsContact O-CG 3.26Å; S122-L126 WeakPolarHBondContact O-CG 3.14Å; S122-L126 PolarHBondContact O-N 3.23Å; L126-I130 HydrophobicContact CD2-CG1 4.1Å; L126-I130 WeakPolarHBondContact O-CB 3.44Å; L126-I130 PolarHBondContact O-N 3.37Å; L126-I130 VanDerWaalsContact O-N 3.11Å; L126-V133 HydrophobicContact CB-CG1 4.15Å; L126-A138 HydrophobicContact CB-CB 4.02Å; L126-I141 HydrophobicContact CD1-CB 3.9Å; L126-I141 HydrophobicContact CD1-CD1 4.49Å; L126-I141 HydrophobicContact CD1-CG2 3.69Å; L126-A142 HydrophobicContact CD1-CB 4.33Å
127K98.1Very high97.3Very high105 Ų10548.5 Ų48.546%0.45726%0.264SS..Hα-helixtrans-66.9-40.9-179.7-178.1-169.8168-157.60112.8A123 E124 V125 A138A123-K127 WeakPolarHBondContact O-CB 3.36Å; A123-K127 PolarHBondContact O-N 2.82Å; E124-K127 PolarHBondContact O-N 2.68Å; V125-K127 VanDerWaalsContact C-N 3.32Å; V125-K127 PolarHBondContact O-N 3.1Å; K127-A138 HydrophobicContact CB-CB 3.87Å
128H97.7Very high97.4Very high139 Ų13948.1 Ų48.164%0.64426%0.26SS*.Hα-helixtrans-79.3-38.7-176.6-77.897.7000112.6E124 V125E124-H128 PolarHBondContact O-N 2.91Å; E124-H128 PolarHBondContact O-ND1 2.96Å; V125-H128 PolarHBondContact O-N 3Å
129S96.9Very high97.5Very high40 Ų4043.5 Ų43.528%0.2824%0.237SC..Hα-helixtrans-99-31.1-167.1-55.70000113K110 V125 P131K110-S129 WeakPolarHBondContact CD-O 3.39Å; K110-S129 WeakPolarHBondContact CE-O 3.15Å; V125-S129 VanDerWaalsContact O-CB 3.26Å; V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 3.29Å; V125-S129 PolarHBondContact O-OG 3.13Å; S129-P131 WeakPolarHBondContact O-CD 3.48Å
130I97.8Very high97.5Very high6 Ų643.5 Ų43.53%0.03124%0.237CC..SBendtrans-96.5119.4-170.2-51-52.8000111.8W49 I111 F115 P120 L126 G132 V133W49-I130 HydrophobicContact CH2-CG2 3.81Å; W49-I130 HydrophobicContact CZ2-CG2 3.47Å; W49-I130 VanDerWaalsContact CZ2-CG2 3.47Å; I111-I130 HydrophobicContact CD1-CD1 4.15Å; I111-I130 HydrophobicContact CG1-CD1 3.66Å; F115-I130 HydrophobicContact CE2-CD1 4.08Å; P120-I130 HydrophobicContact CG-CD1 4.22Å; P120-I130 HydrophobicContact CG-CG1 4.47Å; L126-I130 HydrophobicContact CD2-CG1 4.1Å; L126-I130 WeakPolarHBondContact O-CB 3.44Å; L126-I130 PolarHBondContact O-N 3.37Å; L126-I130 VanDerWaalsContact O-N 3.11Å; I130-G132 PolarHBondContact O-N 3.36Å; I130-V133 HydrophobicContact CB-CB 4.13Å; I130-V133 HydrophobicContact CB-CG2 3.76Å; I130-V133 HydrophobicContact CG2-CB 4.44Å; I130-V133 HydrophobicContact CG2-CG2 3.57Å; I130-V133 WeakPolarHBondContact O-CB 3.38Å; I130-V133 PolarHBondContact O-N 2.91Å; I130-V133 VanDerWaalsContact O-N 3.14Å
131P96.1Very high97.6Very high42 Ų4243 Ų4327%0.27323%0.234SC..THydrogen-bonded Turntrans-55.8133.8178.6-25.233.5000113.1L103 S129 V133L103-P131 HydrophobicContact CD2-CB 3.81Å; S129-P131 WeakPolarHBondContact O-CD 3.48Å; P131-V133 PolarHBondContact O-N 3.42Å
132G93.5Very high97.7Very high42 Ų4238.3 Ų38.343%0.43321%0.212SC..THydrogen-bonded Turntrans77.6-0.7179.800000115.1I130 G134I130-G132 PolarHBondContact O-N 3.36Å; G132-G134 PolarHBondContact O-N 3.22Å
133V97.2Very high97.7Very high8 Ų836.6 Ų36.65%0.04820%0.2CC..  trans-91.7100.8175.6179.10000109.8W49 L126 I130 P131 T137 A138W49-V133 HydrophobicContact CZ2-CG2 4.29Å; L126-V133 HydrophobicContact CB-CG1 4.15Å; I130-V133 HydrophobicContact CB-CB 4.13Å; I130-V133 HydrophobicContact CB-CG2 3.76Å; I130-V133 HydrophobicContact CG2-CB 4.44Å; I130-V133 HydrophobicContact CG2-CG2 3.57Å; I130-V133 WeakPolarHBondContact O-CB 3.38Å; I130-V133 PolarHBondContact O-N 2.91Å; I130-V133 VanDerWaalsContact O-N 3.14Å; P131-V133 PolarHBondContact O-N 3.42Å; V133-T137 HydrophobicContact CG1-CG2 4.23Å; V133-T137 HydrophobicContact CG2-CG2 4.39Å; V133-A138 HydrophobicContact CG1-CB 3.79Å
134G96.2Very high97.7Very high37 Ų3737.1 Ų37.138%0.38120%0.201SC..  trans-84.3179.2172.300000113.2G132 Y136 T137 A138G132-G134 PolarHBondContact O-N 3.22Å; G134-Y136 VanDerWaalsContact C-N 3.26Å; G134-Y136 PolarHBondContact O-N 3.17Å; G134-T137 PolarHBondContact O-N 3.32Å; G134-T137 VanDerWaalsContact O-N 3.14Å; G134-A138 WeakPolarHBondContact O-CB 3.44Å; G134-A138 PolarHBondContact O-N 3.19Å
135R97.6Very high97.7Very high89 Ų8930.7 Ų30.734%0.33617%0.171SC..Hα-helixtrans-50.6-43.3178.5-171.8179.3-176.8172.65.9112.8G139 E178 W181R135-G139 PolarHBondContact O-N 2.8Å; R135-G139 VanDerWaalsContact O-N 3.12Å; R135-E178 IonicContact NH1-OE1 3.59Å; R135-E178 IonicContact NH1-OE2 3.93Å; R135-E178 PolarHBondContact NH1-OE2 3.41Å; R135-E178 IonicContact NH2-OE1 2.88Å; R135-W181 HydrophobicContact CB-CH2 4.33Å; R135-W181 HydrophobicContact CB-CZ2 4.16Å; R135-W181 HydrophobicContact CG-CH2 3.73Å; R135-W181 HydrophobicContact CG-CZ2 3.79Å; R135-W181 HydrophobicContact CG-CZ3 4.1Å; R135-W181 VanDerWaalsContact CZ-CG 3.43Å
136Y97.9Very high97.7Very high52 Ų5229.9 Ų29.920%0.20416%0.163CC..Hα-helixtrans-59.8-58.8175.5168-91.3000111.8E52 G134 A138 G139 A140 V152 D154 M201E52-Y136 VanDerWaalsContact OE2-CE1 3.22Å; E52-Y136 WeakPolarHBondContact OE2-CE1 3.31Å; E52-Y136 VanDerWaalsContact OE2-CZ 3.27Å; E52-Y136 PolarHBondContact OE2-OH 3.25Å; G134-Y136 VanDerWaalsContact C-N 3.26Å; G134-Y136 PolarHBondContact O-N 3.17Å; Y136-A138 VanDerWaalsContact C-N 3.31Å; Y136-A138 PolarHBondContact O-N 3.23Å; Y136-G139 PolarHBondContact O-N 3.35Å; Y136-G139 VanDerWaalsContact O-N 3.15Å; Y136-A140 PolarHBondContact O-N 3.44Å; Y136-V152 HydrophobicContact CD2-CG1 3.48Å; Y136-V152 VanDerWaalsContact CD2-CG1 3.48Å; Y136-V152 HydrophobicContact CE2-CG1 3.17Å; Y136-D154 HydrophobicContact CD2-CB 4Å; Y136-D154 HydrophobicContact CE2-CB 3.56Å; Y136-M201 HydrophobicContact CE2-SD 4.08Å; Y136-M201 PolarHBondContact OH-SD 3.49Å
137T97.9Very high97.6Very high5 Ų534.2 Ų34.23%0.03119%0.186CC..Hα-helixtrans-63-40.1-173.6-48.90000111.2E52 Q56 V133 G134 A140 I141E52-T137 HydrophobicContact CB-CG2 4.25Å; Q56-T137 PolarHBondContact NE2-OG1 3.04Å; V133-T137 HydrophobicContact CG1-CG2 4.23Å; V133-T137 HydrophobicContact CG2-CG2 4.39Å; G134-T137 PolarHBondContact O-N 3.32Å; G134-T137 VanDerWaalsContact O-N 3.14Å; T137-A140 PolarHBondContact O-N 2.76Å; T137-I141 HydrophobicContact CG2-CD1 3.88Å; T137-I141 HydrophobicContact CG2-CG1 4.48Å; T137-I141 WeakPolarHBondContact O-CD1 3.42Å; T137-I141 VanDerWaalsContact O-CG1 3.27Å; T137-I141 WeakPolarHBondContact O-CG1 3.41Å; T137-I141 PolarHBondContact O-N 2.99Å
138A98.5Very high97.7Very high2 Ų232.6 Ų32.62%0.01718%0.18CC..Hα-helixtrans-60.8-46.5175.300000112.1A123 L126 K127 V133 G134 Y136 A142A123-A138 HydrophobicContact CB-CB 4.21Å; A123-A138 VanDerWaalsContact O-CB 3.3Å; A123-A138 WeakPolarHBondContact O-CB 3.25Å; L126-A138 HydrophobicContact CB-CB 4.02Å; K127-A138 HydrophobicContact CB-CB 3.87Å; V133-A138 HydrophobicContact CG1-CB 3.79Å; G134-A138 WeakPolarHBondContact O-CB 3.44Å; G134-A138 PolarHBondContact O-N 3.19Å; Y136-A138 VanDerWaalsContact C-N 3.31Å; Y136-A138 PolarHBondContact O-N 3.23Å; A138-A142 VanDerWaalsContact O-CB 3.27Å; A138-A142 WeakPolarHBondContact O-CB 3.16Å; A138-A142 PolarHBondContact O-N 3.14Å
139G98.4Very high97.7Very high1 Ų129.5 Ų29.51%0.0117%0.173CC..Hα-helixtrans-63.3-41176.500000112.4R135 Y136 S143 T150R135-G139 PolarHBondContact O-N 2.8Å; R135-G139 VanDerWaalsContact O-N 3.12Å; Y136-G139 PolarHBondContact O-N 3.35Å; Y136-G139 VanDerWaalsContact O-N 3.15Å; G139-S143 VanDerWaalsContact O-CB 3.29Å; G139-S143 WeakPolarHBondContact O-CB 3.29Å; G139-S143 PolarHBondContact O-N 2.86Å; G139-S143 PolarHBondContact O-OG 2.98Å; G139-T150 WeakPolarHBondContact O-CG2 3.29Å
140A98.5Very high97.8Very high0 Ų028.7 Ų28.70%017%0.167CC..Hα-helixtrans-63.1-50.9179.400000110.9E52 Y136 T137 S143 I144 V152E52-A140 HydrophobicContact CG-CB 3.92Å; Y136-A140 PolarHBondContact O-N 3.44Å; T137-A140 PolarHBondContact O-N 2.76Å; A140-S143 PolarHBondContact O-OG 3.41Å; A140-I144 HydrophobicContact CB-CD1 4.41Å; A140-I144 WeakPolarHBondContact O-CB 3.34Å; A140-I144 WeakPolarHBondContact O-CD1 3.39Å; A140-I144 WeakPolarHBondContact O-CG1 3.46Å; A140-I144 PolarHBondContact O-N 3.33Å; A140-V152 HydrophobicContact CB-CG1 4.42Å; A140-V152 HydrophobicContact CB-CG2 4.11Å; A140-V152 VanDerWaalsContact N-CG2 3.31Å
141I98.5Very high97.8Very high0 Ų029 Ų290%017%0.17CC..Hα-helixtrans-60.7-52.6177.5-63.5161.6000110.8V48 W49 F119 L126 T137 S143 I144 A145 F146V48-I141 HydrophobicContact CG1-CG1 4.22Å; W49-I141 HydrophobicContact CB-CD1 3.66Å; W49-I141 HydrophobicContact CB-CG1 4.05Å; W49-I141 HydrophobicContact CG-CD1 3.73Å; F119-I141 HydrophobicContact CE1-CG2 3.88Å; L126-I141 HydrophobicContact CD1-CB 3.9Å; L126-I141 HydrophobicContact CD1-CD1 4.49Å; L126-I141 HydrophobicContact CD1-CG2 3.69Å; T137-I141 HydrophobicContact CG2-CD1 3.88Å; T137-I141 HydrophobicContact CG2-CG1 4.48Å; T137-I141 WeakPolarHBondContact O-CD1 3.42Å; T137-I141 VanDerWaalsContact O-CG1 3.27Å; T137-I141 WeakPolarHBondContact O-CG1 3.41Å; T137-I141 PolarHBondContact O-N 2.99Å; I141-S143 VanDerWaalsContact C-N 3.35Å; I141-S143 PolarHBondContact O-N 2.71Å; I141-I144 PolarHBondContact O-N 2.93Å; I141-A145 HydrophobicContact CG2-CB 4.5Å; I141-A145 VanDerWaalsContact O-CB 3.27Å; I141-A145 WeakPolarHBondContact O-CB 3.46Å; I141-A145 PolarHBondContact O-N 3.22Å; I141-F146 HydrophobicContact CG2-CD2 4.32Å; I141-F146 HydrophobicContact CG2-CE2 3.86Å
142A98.6Very high97.9Very high0 Ų027 Ų270%016%0.157CC..Hα-helixtrans-65.8-37.2-172.700000113.1A123 L126 A138 F146 N147 Q148 T150A123-A142 HydrophobicContact CB-CB 3.8Å; L126-A142 HydrophobicContact CD1-CB 4.33Å; A138-A142 VanDerWaalsContact O-CB 3.27Å; A138-A142 WeakPolarHBondContact O-CB 3.16Å; A138-A142 PolarHBondContact O-N 3.14Å; A142-F146 CarbonylContact O-C 3.53Å; A142-F146 VanDerWaalsContact O-C 3.25Å; A142-F146 WeakPolarHBondContact O-CA 3.3Å; A142-F146 WeakPolarHBondContact O-CB 3.38Å; A142-F146 PolarHBondContact O-N 3.49Å; A142-N147 PolarHBondContact O-N 3.01Å; A142-N147 VanDerWaalsContact O-N 3.14Å; A142-Q148 HydrophobicContact CB-CB 3.97Å; A142-Q148 VanDerWaalsContact CB-OE1 3.24Å; A142-Q148 WeakPolarHBondContact O-CB 3.19Å; A142-Q148 PolarHBondContact O-N 3.47Å; A142-T150 HydrophobicContact CB-CG2 4.1Å
143S98.7Very high98.1Very high0 Ų025.4 Ų25.40%014%0.138CC..Hα-helixtrans-74.8-43.1176.261.40000112.9G139 A140 I141 N147 Q148 G194 N197G139-S143 VanDerWaalsContact O-CB 3.29Å; G139-S143 WeakPolarHBondContact O-CB 3.29Å; G139-S143 PolarHBondContact O-N 2.86Å; G139-S143 PolarHBondContact O-OG 2.98Å; A140-S143 PolarHBondContact O-OG 3.41Å; I141-S143 VanDerWaalsContact C-N 3.35Å; I141-S143 PolarHBondContact O-N 2.71Å; S143-N147 WeakPolarHBondContact O-CA 3.19Å; S143-N147 PolarHBondContact O-N 3.41Å; S143-Q148 VanDerWaalsContact CA-O 3.31Å; S143-Q148 WeakPolarHBondContact CA-O 3.43Å; S143-Q148 WeakPolarHBondContact CB-O 3.47Å; S143-G194 VanDerWaalsContact C-CA 3.44Å; S143-G194 WeakPolarHBondContact O-CA 3.37Å; S143-G194 PolarHBondContact O-N 3.39Å; S143-N197 VanDerWaalsContact CB-ND2 3.28Å; S143-N197 WeakPolarHBondContact CB-ND2 3.28Å; S143-N197 PolarHBondContact OG-ND2 2.78Å
144I98.5Very high98Very high22 Ų2226.6 Ų26.611%0.11314%0.144CC..Hα-helixtrans-76.5-47.9-175.3-63.2168.8000111.4A36 V48 A140 I141 Q198A36-I144 HydrophobicContact CB-CG2 3.94Å; V48-I144 HydrophobicContact CG1-CB 4.13Å; V48-I144 HydrophobicContact CG1-CD1 4.33Å; V48-I144 HydrophobicContact CG1-CG2 4.16Å; V48-I144 HydrophobicContact CG2-CB 4.42Å; V48-I144 HydrophobicContact CG2-CG2 3.72Å; A140-I144 HydrophobicContact CB-CD1 4.41Å; A140-I144 WeakPolarHBondContact O-CB 3.34Å; A140-I144 WeakPolarHBondContact O-CD1 3.39Å; A140-I144 WeakPolarHBondContact O-CG1 3.46Å; A140-I144 PolarHBondContact O-N 3.33Å; I141-I144 PolarHBondContact O-N 2.93Å; I144-Q198 HydrophobicContact CD1-CG 3.65Å; I144-Q198 HydrophobicContact CG1-CG 3.92Å
145A98.1Very high98Very high1 Ų127.1 Ų27.11%0.00815%0.149CC..Hα-helixtrans-83.6-38.7-175.700000112.2R44 V48 I141R44-A145 WeakPolarHBondContact CD-O 3.47Å; R44-A145 HydrophobicContact CG-CB 4.02Å; R44-A145 PolarHBondContact NH1-O 2.94Å; V48-A145 HydrophobicContact CG2-CB 4.24Å; I141-A145 HydrophobicContact CG2-CB 4.5Å; I141-A145 VanDerWaalsContact O-CB 3.27Å; I141-A145 WeakPolarHBondContact O-CB 3.46Å; I141-A145 PolarHBondContact O-N 3.22Å
146F98.2Very high97.9Very high35 Ų3525 Ų2515%0.15415%0.145CC..Hα-helixtrans-1188.5-167.1-51.8-58.8000114.2P41 F119 P120 Q121 I141 A142 Q148P41-F146 HydrophobicContact CB-CD1 4.38Å; P41-F146 HydrophobicContact CB-CE1 3.84Å; P41-F146 VanDerWaalsContact O-CE1 3.27Å; P41-F146 WeakPolarHBondContact O-CE1 3.33Å; F119-F146 HydrophobicContact CB-CZ 4.45Å; F119-F146 AromaticContact CD1-CE2 3.91Å; F119-F146 HydrophobicContact CD1-CE2 3.91Å; F119-F146 AromaticContact CD1-CZ 3.86Å; F119-F146 HydrophobicContact CD1-CZ 3.86Å; F119-F146 HydrophobicContact CE1-CE2 4.41Å; F119-F146 HydrophobicContact CG-CZ 4.47Å; P120-F146 WeakPolarHBondContact O-CE2 3.41Å; Q121-F146 VanDerWaalsContact CA-CD2 3.46Å; Q121-F146 HydrophobicContact CB-CB 4.2Å; Q121-F146 HydrophobicContact CB-CD1 4.08Å; Q121-F146 HydrophobicContact CB-CD2 3.89Å; Q121-F146 HydrophobicContact CB-CE1 4.45Å; Q121-F146 HydrophobicContact CB-CE2 4.27Å; Q121-F146 HydrophobicContact CB-CG 3.78Å; Q121-F146 HydrophobicContact CG-CD1 3.78Å; Q121-F146 HydrophobicContact CG-CD2 4.2Å; Q121-F146 HydrophobicContact CG-CE1 3.77Å; Q121-F146 HydrophobicContact CG-CE2 4.19Å; Q121-F146 HydrophobicContact CG-CG 4Å; Q121-F146 HydrophobicContact CG-CZ 3.98Å; Q121-F146 WeakPolarHBondContact O-CD2 3.3Å; I141-F146 HydrophobicContact CG2-CD2 4.32Å; I141-F146 HydrophobicContact CG2-CE2 3.86Å; A142-F146 CarbonylContact O-C 3.53Å; A142-F146 VanDerWaalsContact O-C 3.25Å; A142-F146 WeakPolarHBondContact O-CA 3.3Å; A142-F146 WeakPolarHBondContact O-CB 3.38Å; A142-F146 PolarHBondContact O-N 3.49Å; F146-Q148 PolarHBondContact O-N 3.22Å
147N97.6Very high97.9Very high92 Ų9222.5 Ų22.549%0.49214%0.135SC..  trans54.524.5178-149.649.4000114.4A142 S143 C149 N191 P193A142-N147 PolarHBondContact O-N 3.01Å; A142-N147 VanDerWaalsContact O-N 3.14Å; S143-N147 WeakPolarHBondContact O-CA 3.19Å; S143-N147 PolarHBondContact O-N 3.41Å; N147-C149 PolarHBondContact O-N 3.3Å; N147-N191 PolarHBondContact ND2-O 2.94Å; N147-P193 VanDerWaalsContact O-CG 3.31Å; N147-P193 WeakPolarHBondContact O-CG 3.26Å; N147-P193 VanDerWaalsContact OD1-CD 3.24Å; N147-P193 WeakPolarHBondContact OD1-CD 3.41Å; N147-P193 WeakPolarHBondContact OD1-CG 3.44Å
148Q98.5Very high98Very high71 Ų7123.2 Ų23.233%0.33214%0.138SC..  trans-70.3130.5174.9-168.7-177.915.300109.5A142 S143 F146 T150 P193A142-Q148 HydrophobicContact CB-CB 3.97Å; A142-Q148 VanDerWaalsContact CB-OE1 3.24Å; A142-Q148 WeakPolarHBondContact O-CB 3.19Å; A142-Q148 PolarHBondContact O-N 3.47Å; S143-Q148 VanDerWaalsContact CA-O 3.31Å; S143-Q148 WeakPolarHBondContact CA-O 3.43Å; S143-Q148 WeakPolarHBondContact CB-O 3.47Å; F146-Q148 PolarHBondContact O-N 3.22Å; Q148-T150 VanDerWaalsContact C-N 3.32Å; Q148-T150 HydrophobicContact CB-CG2 4.43Å; Q148-T150 PolarHBondContact O-N 2.9Å; Q148-P193 WeakPolarHBondContact O-CB 3.45Å
149C98.5Very high98Very high74 Ų7424 Ų2450%0.514%0.141SC..  trans-7286.2174.4-170.80000110.8N147N147-C149 PolarHBondContact O-N 3.3Å
150T98.4Very high98Very high24 Ų2424 Ų2415%0.14714%0.141CC..  trans-138.9141.5-178.7-174.60000110.6A123 G139 A142 Q148 N197A123-T150 HydrophobicContact CB-CG2 4.19Å; G139-T150 WeakPolarHBondContact O-CG2 3.29Å; A142-T150 HydrophobicContact CB-CG2 4.1Å; Q148-T150 VanDerWaalsContact C-N 3.32Å; Q148-T150 HydrophobicContact CB-CG2 4.43Å; Q148-T150 PolarHBondContact O-N 2.9Å; T150-N197 PolarHBondContact O-ND2 2.74Å
151P98.3Very high98Very high13 Ų1324 Ų248%0.08414%0.141CC..  trans-73.8154.4-177.631.9-38.9000112.9W181 T184 T185 V188P151-W181 HydrophobicContact CB-CE3 4.15Å; P151-W181 HydrophobicContact CB-CZ3 4.13Å; P151-W181 HydrophobicContact CG-CE3 3.91Å; P151-W181 HydrophobicContact CG-CZ3 3.99Å; P151-T184 HydrophobicContact CB-CG2 3.59Å; P151-T185 WeakPolarHBondContact CG-OG1 3.48Å; P151-V188 HydrophobicContact CB-CG2 4.01Å
152V98.3Very high98Very high0 Ų024 Ų240%014%0.141CC..  trans-128.5127.8169.1176.50000109Y136 A140 N197 M201Y136-V152 HydrophobicContact CD2-CG1 3.48Å; Y136-V152 VanDerWaalsContact CD2-CG1 3.48Å; Y136-V152 HydrophobicContact CE2-CG1 3.17Å; A140-V152 HydrophobicContact CB-CG1 4.42Å; A140-V152 HydrophobicContact CB-CG2 4.11Å; A140-V152 VanDerWaalsContact N-CG2 3.31Å; V152-N197 HydrophobicContact CB-CB 3.97Å; V152-N197 HydrophobicContact CG2-CB 3.97Å; V152-N197 WeakPolarHBondContact CG2-ND2 3.16Å; V152-N197 PolarHBondContact N-OD1 3Å; V152-M201 HydrophobicContact CG1-CE 4.02Å; V152-M201 HydrophobicContact CG1-SD 3.87Å
153L97.4Very high98Very high8 Ų824.2 Ų24.24%0.04214%0.141CC..  trans-131.3101.9-177.2-171.674.6000110.5V157 I158 L161 M177 L180 W181L153-V157 HydrophobicContact CD1-CB 4.18Å; L153-V157 HydrophobicContact CD1-CG1 3.67Å; L153-I158 HydrophobicContact CD1-CG1 3.69Å; L153-I158 HydrophobicContact CD2-CD1 4.46Å; L153-I158 HydrophobicContact CD2-CG1 4.1Å; L153-I158 HydrophobicContact CG-CD1 4.23Å; L153-I158 HydrophobicContact CG-CG1 3.68Å; L153-L161 HydrophobicContact CD1-CD1 4.01Å; L153-M177 HydrophobicContact CD2-CE 3.59Å; L153-L180 HydrophobicContact CD1-CB 4.24Å; L153-L180 HydrophobicContact CD2-CB 3.72Å; L153-W181 HydrophobicContact CB-CD2 3.9Å; L153-W181 HydrophobicContact CB-CE3 3.86Å; L153-W181 HydrophobicContact CB-CH2 3.66Å; L153-W181 HydrophobicContact CB-CZ2 3.69Å; L153-W181 HydrophobicContact CB-CZ3 3.74Å; L153-W181 HydrophobicContact CD2-CD2 3.85Å; L153-W181 HydrophobicContact CD2-CG 3.86Å; L153-W181 HydrophobicContact CD2-CZ2 4.47Å
154D95.5Very high98Very high32 Ų3224.4 Ų24.417%0.17114%0.143CC..  trans-110.6-176.5171.881.7-27.1000112.1Y136 N156 V157 I158Y136-D154 HydrophobicContact CD2-CB 4Å; Y136-D154 HydrophobicContact CE2-CB 3.56Å; D154-N156 VanDerWaalsContact CG-N 3.33Å; D154-N156 PolarHBondContact O-N 2.74Å; D154-N156 WeakPolarHBondContact OD1-CA 3.33Å; D154-N156 WeakPolarHBondContact OD1-CB 3.33Å; D154-N156 PolarHBondContact OD1-N 2.99Å; D154-N156 WeakPolarHBondContact OD2-CB 3.45Å; D154-N156 PolarHBondContact OD2-N 3.32Å; D154-N156 PolarHBondContact OD2-ND2 3.12Å; D154-V157 PolarHBondContact O-N 2.85Å; D154-V157 VanDerWaalsContact OD1-CG2 3.3Å; D154-V157 WeakPolarHBondContact OD1-CG2 3.5Å; D154-V157 PolarHBondContact OD1-N 3.14Å; D154-I158 WeakPolarHBondContact O-CB 3.39Å; D154-I158 WeakPolarHBondContact O-CD1 3.12Å; D154-I158 WeakPolarHBondContact O-CG1 3.38Å; D154-I158 PolarHBondContact O-N 2.92Å
155G95.3Very high97.9Very high48 Ų4823.6 Ų23.650%0.49514%0.138SC..Hα-helixtrans-61.8-24.4176.700000114.4R159G155-R159 WeakPolarHBondContact O-CB 3.35Å; G155-R159 PolarHBondContact O-N 3.46Å; G155-R159 PolarHBondContact O-NH1 3.49Å
156N97.1Very high97.8Very high45 Ų4524.3 Ų24.324%0.24114%0.141CC..Hα-helixtrans-75.6-50.9175-64-51.5000111.1D154 I158 R159 V160D154-N156 VanDerWaalsContact CG-N 3.33Å; D154-N156 PolarHBondContact O-N 2.74Å; D154-N156 WeakPolarHBondContact OD1-CA 3.33Å; D154-N156 WeakPolarHBondContact OD1-CB 3.33Å; D154-N156 PolarHBondContact OD1-N 2.99Å; D154-N156 WeakPolarHBondContact OD2-CB 3.45Å; D154-N156 PolarHBondContact OD2-N 3.32Å; D154-N156 PolarHBondContact OD2-ND2 3.12Å; N156-I158 PolarHBondContact O-N 3.17Å; N156-R159 PolarHBondContact O-N 3.13Å; N156-R159 PolarHBondContact OD1-NH1 3.49Å; N156-R159 PolarHBondContact OD1-NH2 3.26Å; N156-V160 WeakPolarHBondContact O-CG2 3.48Å; N156-V160 PolarHBondContact O-N 3.12Å
157V98.4Very high97.8Very high0 Ų022.6 Ų22.60%013%0.134CC..Hα-helixtrans-61-46.3177.9178.60000110.7L153 D154 R159 V160 L161 L200 M201L153-V157 HydrophobicContact CD1-CB 4.18Å; L153-V157 HydrophobicContact CD1-CG1 3.67Å; D154-V157 PolarHBondContact O-N 2.85Å; D154-V157 VanDerWaalsContact OD1-CG2 3.3Å; D154-V157 WeakPolarHBondContact OD1-CG2 3.5Å; D154-V157 PolarHBondContact OD1-N 3.14Å; V157-R159 VanDerWaalsContact C-N 3.29Å; V157-R159 PolarHBondContact O-N 3.15Å; V157-V160 PolarHBondContact O-N 3.41Å; V157-V160 VanDerWaalsContact O-N 3.09Å; V157-L161 HydrophobicContact CG1-CD1 3.74Å; V157-L161 HydrophobicContact CG1-CG 3.98Å; V157-L161 WeakPolarHBondContact O-CG 3.3Å; V157-L161 PolarHBondContact O-N 3.36Å; V157-L200 HydrophobicContact CB-CD2 4.36Å; V157-L200 HydrophobicContact CB-CG 4.4Å; V157-L200 HydrophobicContact CG1-CD2 3.41Å; V157-L200 VanDerWaalsContact CG1-CD2 3.41Å; V157-L200 HydrophobicContact CG1-CG 3.91Å; V157-L200 HydrophobicContact CG2-CB 4.15Å; V157-L200 HydrophobicContact CG2-CD2 4.13Å; V157-L200 HydrophobicContact CG2-CG 3.96Å; V157-M201 HydrophobicContact CG2-CG 3.72Å
158I98.6Very high97.7Very high19 Ų1918.4 Ų18.410%0.09711%0.112CC..Hα-helixtrans-53.7-47.9176.1-70.7166.9000110.7L153 D154 N156 L161 T162 V171 M177 L180 P266L153-I158 HydrophobicContact CD1-CG1 3.69Å; L153-I158 HydrophobicContact CD2-CD1 4.46Å; L153-I158 HydrophobicContact CD2-CG1 4.1Å; L153-I158 HydrophobicContact CG-CD1 4.23Å; L153-I158 HydrophobicContact CG-CG1 3.68Å; D154-I158 WeakPolarHBondContact O-CB 3.39Å; D154-I158 WeakPolarHBondContact O-CD1 3.12Å; D154-I158 WeakPolarHBondContact O-CG1 3.38Å; D154-I158 PolarHBondContact O-N 2.92Å; N156-I158 PolarHBondContact O-N 3.17Å; I158-L161 PolarHBondContact O-N 2.88Å; I158-T162 HydrophobicContact CG2-CG2 4.15Å; I158-T162 WeakPolarHBondContact O-CB 3.22Å; I158-T162 WeakPolarHBondContact O-CG2 3.39Å; I158-T162 PolarHBondContact O-N 2.83Å; I158-T162 PolarHBondContact O-OG1 2.85Å; I158-V171 HydrophobicContact CG2-CB 4.04Å; I158-V171 HydrophobicContact CG2-CG1 3.61Å; I158-V171 HydrophobicContact CG2-CG2 4.44Å; I158-M177 HydrophobicContact CD1-CE 3.99Å; I158-M177 HydrophobicContact CD1-SD 3.81Å; I158-L180 HydrophobicContact CG1-CD1 4.22Å; I158-L180 HydrophobicContact CG2-CD1 3.99Å; I158-P266 HydrophobicContact CG2-CB 4.36Å
159R98.5Very high97.5Very high18 Ų1815.6 Ų15.67%0.06810%0.101CC..Hα-helixtrans-63.2-41.7178.2176.2171.169.1-98.24.9112.3G155 N156 V157 T162 R163 G204 C208 P266G155-R159 WeakPolarHBondContact O-CB 3.35Å; G155-R159 PolarHBondContact O-N 3.46Å; G155-R159 PolarHBondContact O-NH1 3.49Å; N156-R159 PolarHBondContact O-N 3.13Å; N156-R159 PolarHBondContact OD1-NH1 3.49Å; N156-R159 PolarHBondContact OD1-NH2 3.26Å; V157-R159 VanDerWaalsContact C-N 3.29Å; V157-R159 PolarHBondContact O-N 3.15Å; R159-T162 WeakPolarHBondContact CA-OG1 3.31Å; R159-T162 PolarHBondContact O-OG1 3.04Å; R159-T162 VanDerWaalsContact O-OG1 3.1Å; R159-R163 WeakPolarHBondContact O-CB 3.42Å; R159-R163 WeakPolarHBondContact O-CD 3.46Å; R159-R163 VanDerWaalsContact O-CG 3.28Å; R159-R163 WeakPolarHBondContact O-CG 3.29Å; R159-R163 PolarHBondContact O-N 2.9Å; R159-G204 VanDerWaalsContact NH2-C 3.27Å; R159-G204 PolarHBondContact NH2-O 3.02Å; R159-C208 PolarHBondContact NE-O 3.09Å; R159-C208 PolarHBondContact NH2-O 3.42Å; R159-P266 HydrophobicContact CB-CG 4.41Å
160V98.7Very high97.4Very high2 Ų213.4 Ų13.41%0.0129%0.086CC..Hα-helixtrans-62-53.4176.5171.40000110.2N156 V157 T162 R163 L164 L200 L203 C208 L220N156-V160 WeakPolarHBondContact O-CG2 3.48Å; N156-V160 PolarHBondContact O-N 3.12Å; V157-V160 PolarHBondContact O-N 3.41Å; V157-V160 VanDerWaalsContact O-N 3.09Å; V160-T162 PolarHBondContact O-N 3.36Å; V160-R163 PolarHBondContact O-N 2.73Å; V160-L164 HydrophobicContact CG1-CD1 3.71Å; V160-L164 HydrophobicContact CG1-CG 4.13Å; V160-L164 VanDerWaalsContact O-CG 3.31Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 2.92Å; V160-L200 HydrophobicContact CB-CD1 4.44Å; V160-L200 HydrophobicContact CG1-CD1 3.72Å; V160-L203 HydrophobicContact CG1-CD2 4.02Å; V160-L203 HydrophobicContact CG2-CD2 4.36Å; V160-L203 HydrophobicContact CG2-CG 4.48Å; V160-C208 HydrophobicContact CG2-CB 3.88Å; V160-L220 HydrophobicContact CG1-CD1 4.5Å
161L98.7Very high97.4Very high0 Ų013 Ų130%08%0.083CC..Hα-helixtrans-63.2-45-176.2-65.1-178.8000112.5L153 V157 I158 R163 L164 R165 L180 T184 L187 L200L153-L161 HydrophobicContact CD1-CD1 4.01Å; V157-L161 HydrophobicContact CG1-CD1 3.74Å; V157-L161 HydrophobicContact CG1-CG 3.98Å; V157-L161 WeakPolarHBondContact O-CG 3.3Å; V157-L161 PolarHBondContact O-N 3.36Å; I158-L161 PolarHBondContact O-N 2.88Å; L161-R163 VanDerWaalsContact C-N 3.27Å; L161-R163 PolarHBondContact O-N 3.4Å; L161-L164 PolarHBondContact O-N 3.11Å; L161-R165 PolarHBondContact O-N 3.08Å; L161-L180 HydrophobicContact CB-CD2 4.12Å; L161-L180 HydrophobicContact CD1-CD2 4.48Å; L161-T184 WeakPolarHBondContact CD1-OG1 3.35Å; L161-L187 HydrophobicContact CD2-CD1 3.56Å; L161-L200 HydrophobicContact CD2-CD2 4.41Å
162T98.5Very high97.2Very high0 Ų016.4 Ų16.40%010%0.098CC..Hα-helixtrans-60.4-36.8177.553.20000112I158 R159 V160 Q166 I167 V171 L180 P266I158-T162 HydrophobicContact CG2-CG2 4.15Å; I158-T162 WeakPolarHBondContact O-CB 3.22Å; I158-T162 WeakPolarHBondContact O-CG2 3.39Å; I158-T162 PolarHBondContact O-N 2.83Å; I158-T162 PolarHBondContact O-OG1 2.85Å; R159-T162 WeakPolarHBondContact CA-OG1 3.31Å; R159-T162 PolarHBondContact O-OG1 3.04Å; R159-T162 VanDerWaalsContact O-OG1 3.1Å; V160-T162 PolarHBondContact O-N 3.36Å; T162-Q166 CarbonylContact O-C 3.57Å; T162-Q166 WeakPolarHBondContact O-CA 3.4Å; T162-Q166 PolarHBondContact O-N 3.31Å; T162-I167 HydrophobicContact CG2-CB 3.98Å; T162-I167 HydrophobicContact CG2-CG2 4.35Å; T162-I167 PolarHBondContact O-N 2.93Å; T162-V171 HydrophobicContact CG2-CG1 4.02Å; T162-L180 HydrophobicContact CG2-CD1 4.4Å; T162-L180 HydrophobicContact CG2-CD2 4.21Å; T162-P266 HydrophobicContact CG2-CB 4.11Å
163R98.3Very high97.1Very high4 Ų419.3 Ų19.32%0.01511%0.113CC..Hα-helixtrans-72.6-40.6173.6-74173.2177.9179.3-1.6112.9R159 V160 L161 R165 C208 T209 P210 S228 V262 Y265R159-R163 WeakPolarHBondContact O-CB 3.42Å; R159-R163 WeakPolarHBondContact O-CD 3.46Å; R159-R163 VanDerWaalsContact O-CG 3.28Å; R159-R163 WeakPolarHBondContact O-CG 3.29Å; R159-R163 PolarHBondContact O-N 2.9Å; V160-R163 PolarHBondContact O-N 2.73Å; L161-R163 VanDerWaalsContact C-N 3.27Å; L161-R163 PolarHBondContact O-N 3.4Å; R163-R165 VanDerWaalsContact C-N 3.25Å; R163-R165 PolarHBondContact O-N 3.43Å; R163-C208 WeakPolarHBondContact CD-SG 3.43Å; R163-C208 PolarHBondContact NH1-O 2.75Å; R163-C208 PolarHBondContact NH1-SG 3.42Å; R163-T209 PolarHBondContact NH1-O 3.19Å; R163-T209 PolarHBondContact NH2-O 2.89Å; R163-T209 VanDerWaalsContact NH2-O 3.09Å; R163-P210 PolarHBondContact NH2-O 2.82Å; R163-S228 WeakPolarHBondContact CA-OG 3.27Å; R163-S228 WeakPolarHBondContact O-CB 3.35Å; R163-S228 PolarHBondContact O-N 3.43Å; R163-S228 VanDerWaalsContact O-N 3.15Å; R163-S228 PolarHBondContact O-OG 2.85Å; R163-V262 HydrophobicContact CG-CB 4.45Å; R163-V262 WeakPolarHBondContact CG-O 3.17Å; R163-V262 PolarHBondContact NE-O 2.95Å; R163-V262 VanDerWaalsContact NE-O 3.13Å; R163-Y265 PolarHBondContact NE-O 2.91Å
164L98.4Very high97.1Very high5 Ų524 Ų243%0.02614%0.144CC..Hα-helixtrans-63.3-35179.9-72.8175.9000111.8F7 L15 V160 L161 L220 L225 C226 E227F7-L164 HydrophobicContact CZ-CB 4Å; F7-L164 HydrophobicContact CZ-CD1 4.08Å; L15-L164 HydrophobicContact CD1-CD1 4.15Å; V160-L164 HydrophobicContact CG1-CD1 3.71Å; V160-L164 HydrophobicContact CG1-CG 4.13Å; V160-L164 VanDerWaalsContact O-CG 3.31Å; V160-L164 WeakPolarHBondContact O-CG 3.45Å; V160-L164 PolarHBondContact O-N 2.92Å; L161-L164 PolarHBondContact O-N 3.11Å; L164-L220 HydrophobicContact CD1-CD1 3.66Å; L164-L220 HydrophobicContact CD2-CB 3.98Å; L164-L220 HydrophobicContact CD2-CD1 4.12Å; L164-L220 HydrophobicContact CG-CD1 4.46Å; L164-L225 HydrophobicContact CD2-CB 4.44Å; L164-C226 HydrophobicContact CD2-CB 4.01Å; L164-E227 WeakPolarHBondContact O-CB 3.29Å; L164-E227 VanDerWaalsContact O-CG 3.25Å; L164-E227 WeakPolarHBondContact O-CG 3.46Å; L164-E227 PolarHBondContact O-N 3.22Å
165R97.7Very high97.1Very high4 Ų427.5 Ų27.52%0.01517%0.167CC..THydrogen-bonded Turntrans-124.717.2-169.3-63.2-65.794.9177.35.9114.4I4 H5 S6 F7 L161 R163 I167 L225 E227I4-R165 CarbonylContact O-C 3.53Å; I4-R165 WeakPolarHBondContact O-CA 3.27Å; I4-R165 WeakPolarHBondContact O-CB 3.17Å; I4-R165 WeakPolarHBondContact O-CD 3.36Å; H5-R165 WeakPolarHBondContact CA-O 3.44Å; H5-R165 PolarHBondContact ND1-O 3.18Å; S6-R165 WeakPolarHBondContact O-CD 3.34Å; S6-R165 PolarHBondContact O-NH1 2.94Å; F7-R165 HydrophobicContact CD2-CG 4Å; F7-R165 HydrophobicContact CE1-CG 4.08Å; F7-R165 HydrophobicContact CE2-CG 3.3Å; F7-R165 VanDerWaalsContact CZ-CD 3.47Å; F7-R165 HydrophobicContact CZ-CG 3.36Å; L161-R165 PolarHBondContact O-N 3.08Å; R163-R165 VanDerWaalsContact C-N 3.25Å; R163-R165 PolarHBondContact O-N 3.43Å; R165-I167 VanDerWaalsContact C-N 3.28Å; R165-I167 HydrophobicContact CB-CD1 4.3Å; R165-I167 HydrophobicContact CB-CG1 4.21Å; R165-I167 PolarHBondContact O-N 3.39Å; R165-L225 PolarHBondContact NH2-O 3.32Å; R165-E227 IonicContact CZ-OE1 3.31Å; R165-E227 IonicContact NH1-OE1 3.06Å; R165-E227 IonicContact NH2-OE1 2.7Å; R165-E227 PolarHBondContact NH2-OE1 2.97Å
166Q96Very high97.2Very high16 Ų1625.2 Ų25.28%0.07514%0.143CC..THydrogen-bonded Turntrans47.445.8179.2-66.2-176.511.100113.9I4 H5 T162 G168 E227 Q231 Y265I4-Q166 HydrophobicContact CD1-CG 4.3Å; H5-Q166 PolarHBondContact CE1-O 2.92Å; H5-Q166 PolarHBondContact ND1-O 3.22Å; T162-Q166 CarbonylContact O-C 3.57Å; T162-Q166 WeakPolarHBondContact O-CA 3.4Å; T162-Q166 PolarHBondContact O-N 3.31Å; Q166-G168 PolarHBondContact O-N 2.97Å; Q166-G168 VanDerWaalsContact O-N 3.12Å; Q166-E227 HydrophobicContact CG-CB 3.99Å; Q166-E227 VanDerWaalsContact NE2-C 3.33Å; Q166-E227 PolarHBondContact NE2-O 3.32Å; Q166-Q231 VanDerWaalsContact NE2-CB 3.3Å; Q166-Q231 VanDerWaalsContact NE2-OE1 3.15Å; Q166-Y265 VanDerWaalsContact C-CE1 3.5Å; Q166-Y265 HydrophobicContact CB-CE1 4.23Å; Q166-Y265 HydrophobicContact CB-CE2 4.47Å; Q166-Y265 WeakPolarHBondContact CB-OH 3.39Å; Q166-Y265 HydrophobicContact CG-CE2 4.23Å
167I96.9Very high97.3Very high0 Ų025.3 Ų25.30%014%0.143CC..  trans-81.597.7177.6-57.8165.1000107.8H5 T162 R165 T176 Y179 L180 L183 L249 Y265H5-I167 HydrophobicContact CB-CG1 4.5Å; T162-I167 HydrophobicContact CG2-CB 3.98Å; T162-I167 HydrophobicContact CG2-CG2 4.35Å; T162-I167 PolarHBondContact O-N 2.93Å; R165-I167 VanDerWaalsContact C-N 3.28Å; R165-I167 HydrophobicContact CB-CD1 4.3Å; R165-I167 HydrophobicContact CB-CG1 4.21Å; R165-I167 PolarHBondContact O-N 3.39Å; I167-T176 HydrophobicContact CG2-CG2 4.21Å; I167-Y179 HydrophobicContact CD1-CD1 4.08Å; I167-Y179 HydrophobicContact CD1-CE1 3.76Å; I167-Y179 HydrophobicContact CG1-CE1 4.32Å; I167-L180 HydrophobicContact CD1-CD2 3.52Å; I167-L183 HydrophobicContact CD1-CD2 3.95Å; I167-L249 HydrophobicContact CG2-CD2 4.31Å; I167-Y265 WeakPolarHBondContact O-CD1 3.47Å
168G95.8Very high97.2Very high4 Ų429.3 Ų29.34%0.04116%0.161CC..  trans-93.6-6.1-176.100000115.3Q166 L249 V267Q166-G168 PolarHBondContact O-N 2.97Å; Q166-G168 VanDerWaalsContact O-N 3.12Å; G168-L249 CarbonylContact C-O 3.59Å; G168-L249 WeakPolarHBondContact CA-O 3.27Å; G168-L249 PolarHBondContact N-O 2.97Å; G168-V267 VanDerWaalsContact O-CB 3.28Å; G168-V267 WeakPolarHBondContact O-CB 3.44Å; G168-V267 VanDerWaalsContact O-CG2 3.22Å; G168-V267 WeakPolarHBondContact O-CG2 3.37Å
169S95.2Very high97.2Very high12 Ų1230.6 Ų30.68%0.08417%0.165CC..SBendtrans-63.9138.3170.6-161.70000110.6V171 T176 R248 L249S169-V171 PolarHBondContact O-N 3.12Å; S169-T176 VanDerWaalsContact CB-OG1 3.29Å; S169-T176 WeakPolarHBondContact CB-OG1 3.39Å; S169-T176 PolarHBondContact OG-OG1 3.34Å; S169-R248 WeakPolarHBondContact CB-O 3.37Å; S169-R248 PolarHBondContact OG-O 2.88Å; S169-L249 PolarHBondContact N-O 2.93Å; S169-L249 VanDerWaalsContact N-O 3.13Å
170P96.3Very high97.2Very high28 Ų2829.8 Ų29.818%0.18216%0.162CC..  trans-57.3129.7-179.4-23.430.9000112.4Q172 L173 T176 V267 L269P170-Q172 PolarHBondContact O-N 3.21Å; P170-L173 HydrophobicContact CB-CD1 4.32Å; P170-L173 HydrophobicContact CB-CG 4.22Å; P170-L173 HydrophobicContact CG-CD1 4.24Å; P170-L173 WeakPolarHBondContact O-CB 3.41Å; P170-L173 PolarHBondContact O-N 2.96Å; P170-L173 VanDerWaalsContact O-N 3.1Å; P170-T176 WeakPolarHBondContact O-CB 3.35Å; P170-T176 PolarHBondContact O-OG1 2.86Å; P170-V267 WeakPolarHBondContact CA-O 3.22Å; P170-V267 HydrophobicContact CB-CG1 4.41Å; P170-V267 HydrophobicContact CG-CG1 4.08Å; P170-L269 HydrophobicContact CB-CD2 3.71Å; P170-L269 HydrophobicContact CB-CG 3.77Å; P170-L269 HydrophobicContact CG-CD2 3.77Å; P170-L269 HydrophobicContact CG-CG 4.4Å
171V97Very high97.2Very high16 Ų1630.7 Ų30.710%0.09717%0.165CC..THydrogen-bonded Turntrans-73-8.4-173.7-600000113.9I158 T162 S169 L173 T176 M177 L180 P266 V267 K268I158-V171 HydrophobicContact CG2-CB 4.04Å; I158-V171 HydrophobicContact CG2-CG1 3.61Å; I158-V171 HydrophobicContact CG2-CG2 4.44Å; T162-V171 HydrophobicContact CG2-CG1 4.02Å; S169-V171 PolarHBondContact O-N 3.12Å; V171-L173 VanDerWaalsContact C-N 3.31Å; V171-T176 HydrophobicContact CG1-CG2 4.49Å; V171-M177 WeakPolarHBondContact O-CG 3.22Å; V171-M177 VanDerWaalsContact O-SD 3.34Å; V171-L180 HydrophobicContact CG1-CD1 4.33Å; V171-P266 HydrophobicContact CG1-CB 3.66Å; V171-P266 HydrophobicContact CG2-CB 4.34Å; V171-V267 PolarHBondContact N-O 3.15Å; V171-V267 VanDerWaalsContact N-O 3.1Å; V171-K268 HydrophobicContact CG2-CG 4.03Å
172Q94.7Very high97.1Very high83 Ų8334.3 Ų34.339%0.38819%0.185SC..THydrogen-bonded Turntrans-80.9-11.8171.9-61.297.2-31.300113P170 K268 L269P170-Q172 PolarHBondContact O-N 3.21Å; Q172-K268 VanDerWaalsContact OE1-CA 3.29Å; Q172-L269 HydrophobicContact CB-CD1 4.11Å; Q172-L269 HydrophobicContact CB-CG 4.42Å; Q172-L269 VanDerWaalsContact CD-N 3.31Å; Q172-L269 PolarHBondContact NE2-O 3.38Å; Q172-L269 VanDerWaalsContact NE2-O 3.12Å
173L96Very high97.1Very high62 Ų6234.9 Ų34.933%0.32519%0.188SC..SBendtrans-75.3135.1178.2-61.9178000110.6P170 V171 T175 T176 M177 L269P170-L173 HydrophobicContact CB-CD1 4.32Å; P170-L173 HydrophobicContact CB-CG 4.22Å; P170-L173 HydrophobicContact CG-CD1 4.24Å; P170-L173 WeakPolarHBondContact O-CB 3.41Å; P170-L173 PolarHBondContact O-N 2.96Å; P170-L173 VanDerWaalsContact O-N 3.1Å; V171-L173 VanDerWaalsContact C-N 3.31Å; L173-T175 VanDerWaalsContact C-N 3.28Å; L173-T175 PolarHBondContact O-N 3.43Å; L173-T176 PolarHBondContact O-N 3.38Å; L173-M177 PolarHBondContact O-N 2.61Å; L173-L269 HydrophobicContact CD2-CD1 4.4Å
174P96.9Very high97.1Very high106 Ų10634.7 Ų34.769%0.68819%0.187SC*.Hα-helixtrans-56.8-39.6178.7-2734.8000113.5M177 E178P174-M177 PolarHBondContact O-N 3.14Å; P174-E178 PolarHBondContact O-N 3.1Å
175T96.5Very high97.1Very high106 Ų10637.8 Ų37.865%0.6521%0.206SC*.Hα-helixtrans-62.7-43.6178.648.30000112.2L173 E178 Y179L173-T175 VanDerWaalsContact C-N 3.28Å; L173-T175 PolarHBondContact O-N 3.43Å; T175-E178 PolarHBondContact O-N 3.14Å; T175-Y179 PolarHBondContact O-N 3.42Å
176T97.3Very high97.1Very high0 Ų044.5 Ų44.50%024%0.235CC..Hα-helixtrans-64.8-43.7176-52.80000111.3I167 S169 P170 V171 L173 E178 Y179 L180I167-T176 HydrophobicContact CG2-CG2 4.21Å; S169-T176 VanDerWaalsContact CB-OG1 3.29Å; S169-T176 WeakPolarHBondContact CB-OG1 3.39Å; S169-T176 PolarHBondContact OG-OG1 3.34Å; P170-T176 WeakPolarHBondContact O-CB 3.35Å; P170-T176 PolarHBondContact O-OG1 2.86Å; V171-T176 HydrophobicContact CG1-CG2 4.49Å; L173-T176 PolarHBondContact O-N 3.38Å; T176-E178 PolarHBondContact O-N 3.43Å; T176-Y179 WeakPolarHBondContact O-CB 3.22Å; T176-Y179 PolarHBondContact O-N 3.47Å; T176-L180 HydrophobicContact CG2-CD1 4.18Å; T176-L180 WeakPolarHBondContact O-CG 3.48Å; T176-L180 PolarHBondContact O-N 2.81Å
177M97.9Very high97.2Very high47 Ų4743.7 Ų43.723%0.23223%0.232CC..Hα-helixtrans-62-43.7177.6-79.5-58-56.100112.1L153 I158 V171 L173 P174 Y179 L180 W181L153-M177 HydrophobicContact CD2-CE 3.59Å; I158-M177 HydrophobicContact CD1-CE 3.99Å; I158-M177 HydrophobicContact CD1-SD 3.81Å; V171-M177 WeakPolarHBondContact O-CG 3.22Å; V171-M177 VanDerWaalsContact O-SD 3.34Å; L173-M177 PolarHBondContact O-N 2.61Å; P174-M177 PolarHBondContact O-N 3.14Å; M177-Y179 VanDerWaalsContact C-N 3.34Å; M177-Y179 PolarHBondContact O-N 3.01Å; M177-L180 PolarHBondContact O-N 3.31Å; M177-L180 HydrophobicContact SD-CD1 4.43Å; M177-W181 PolarHBondContact O-N 3.05Å
178E98Very high97.3Very high84 Ų8443.8 Ų43.839%0.39323%0.232SC..Hα-helixtrans-67.6-36.1178.4-167.655.1-152.400111.9R135 P174 T175 T176 W181 N182R135-E178 IonicContact NH1-OE1 3.59Å; R135-E178 IonicContact NH1-OE2 3.93Å; R135-E178 PolarHBondContact NH1-OE2 3.41Å; R135-E178 IonicContact NH2-OE1 2.88Å; P174-E178 PolarHBondContact O-N 3.1Å; T175-E178 PolarHBondContact O-N 3.14Å; T176-E178 PolarHBondContact O-N 3.43Å; E178-W181 PolarHBondContact O-N 3.43Å; E178-N182 PolarHBondContact O-N 3.01Å; E178-N182 PolarHBondContact O-ND2 3.28Å; E178-N182 VanDerWaalsContact O-ND2 3.09Å
179Y97.9Very high97.5Very high46 Ų4644.5 Ų44.518%0.1824%0.235CC..Hα-helixtrans-59.2-47.5171-176.6-91.9000112M1 H5 I167 T175 T176 M177 W181 N182 L183 L249M1-Y179 HydrophobicContact CE-CD2 4.44Å; M1-Y179 HydrophobicContact CE-CE2 4.47Å; M1-Y179 HydrophobicContact SD-CE2 3.99Å; H5-Y179 HydrophobicContact CB-CE1 4.44Å; H5-Y179 WeakPolarHBondContact CB-OH 3.49Å; H5-Y179 PolarHBondContact O-OH 3.08Å; I167-Y179 HydrophobicContact CD1-CD1 4.08Å; I167-Y179 HydrophobicContact CD1-CE1 3.76Å; I167-Y179 HydrophobicContact CG1-CE1 4.32Å; T175-Y179 PolarHBondContact O-N 3.42Å; T176-Y179 WeakPolarHBondContact O-CB 3.22Å; T176-Y179 PolarHBondContact O-N 3.47Å; M177-Y179 VanDerWaalsContact C-N 3.34Å; M177-Y179 PolarHBondContact O-N 3.01Å; Y179-W181 VanDerWaalsContact C-N 3.34Å; Y179-W181 PolarHBondContact O-N 3.19Å; Y179-N182 PolarHBondContact O-N 3Å; Y179-L183 HydrophobicContact CE1-CD2 4.31Å; Y179-L183 WeakPolarHBondContact O-CB 3.37Å; Y179-L183 PolarHBondContact O-N 3.27Å; Y179-L249 HydrophobicContact CD1-CD1 4.11Å; Y179-L249 HydrophobicContact CD2-CD1 3.93Å; Y179-L249 HydrophobicContact CE1-CD1 3.86Å; Y179-L249 HydrophobicContact CE2-CD1 3.66Å; Y179-L249 HydrophobicContact CG-CD1 4.14Å; Y179-L249 HydrophobicContact CG-CD2 4.5Å
180L98.5Very high97.6Very high0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-64.1-37.9179.3-72.2168.4000112.2L153 I158 L161 T162 I167 V171 T176 M177 L183 T184L153-L180 HydrophobicContact CD1-CB 4.24Å; L153-L180 HydrophobicContact CD2-CB 3.72Å; I158-L180 HydrophobicContact CG1-CD1 4.22Å; I158-L180 HydrophobicContact CG2-CD1 3.99Å; L161-L180 HydrophobicContact CB-CD2 4.12Å; L161-L180 HydrophobicContact CD1-CD2 4.48Å; T162-L180 HydrophobicContact CG2-CD1 4.4Å; T162-L180 HydrophobicContact CG2-CD2 4.21Å; I167-L180 HydrophobicContact CD1-CD2 3.52Å; V171-L180 HydrophobicContact CG1-CD1 4.33Å; T176-L180 HydrophobicContact CG2-CD1 4.18Å; T176-L180 WeakPolarHBondContact O-CG 3.48Å; T176-L180 PolarHBondContact O-N 2.81Å; M177-L180 PolarHBondContact O-N 3.31Å; M177-L180 HydrophobicContact SD-CD1 4.43Å; L180-L183 PolarHBondContact O-N 2.85Å; L180-T184 WeakPolarHBondContact O-CB 3.18Å; L180-T184 PolarHBondContact O-N 2.96Å; L180-T184 PolarHBondContact O-OG1 3.27Å
181W98.3Very high97.7Very high21 Ų2151.9 Ų51.98%0.0828%0.276CS..Hα-helixtrans-61.1-50.2172.7-84.9114.2000111.5R135 P151 L153 M177 E178 Y179 L183 T184 T185R135-W181 HydrophobicContact CB-CH2 4.33Å; R135-W181 HydrophobicContact CB-CZ2 4.16Å; R135-W181 HydrophobicContact CG-CH2 3.73Å; R135-W181 HydrophobicContact CG-CZ2 3.79Å; R135-W181 HydrophobicContact CG-CZ3 4.1Å; R135-W181 VanDerWaalsContact CZ-CG 3.43Å; P151-W181 HydrophobicContact CB-CE3 4.15Å; P151-W181 HydrophobicContact CB-CZ3 4.13Å; P151-W181 HydrophobicContact CG-CE3 3.91Å; P151-W181 HydrophobicContact CG-CZ3 3.99Å; L153-W181 HydrophobicContact CB-CD2 3.9Å; L153-W181 HydrophobicContact CB-CE3 3.86Å; L153-W181 HydrophobicContact CB-CH2 3.66Å; L153-W181 HydrophobicContact CB-CZ2 3.69Å; L153-W181 HydrophobicContact CB-CZ3 3.74Å; L153-W181 HydrophobicContact CD2-CD2 3.85Å; L153-W181 HydrophobicContact CD2-CG 3.86Å; L153-W181 HydrophobicContact CD2-CZ2 4.47Å; M177-W181 PolarHBondContact O-N 3.05Å; E178-W181 PolarHBondContact O-N 3.43Å; Y179-W181 VanDerWaalsContact C-N 3.34Å; Y179-W181 PolarHBondContact O-N 3.19Å; W181-L183 VanDerWaalsContact C-N 3.31Å; W181-L183 PolarHBondContact O-N 3.39Å; W181-T184 PolarHBondContact O-N 3.46Å; W181-T184 VanDerWaalsContact O-N 3.14Å; W181-T185 PolarHBondContact O-N 2.97Å; W181-T185 PolarHBondContact O-OG1 3.5Å
182N98Very high97.8Very high77 Ų7754.5 Ų54.541%0.41228%0.284SS..Hα-helixtrans-62.1-37.7178.6-74.5-38.9000112.9E178 Y179 K186E178-N182 PolarHBondContact O-N 3.01Å; E178-N182 PolarHBondContact O-ND2 3.28Å; E178-N182 VanDerWaalsContact O-ND2 3.09Å; Y179-N182 PolarHBondContact O-N 3Å; N182-K186 WeakPolarHBondContact O-CG 3.41Å; N182-K186 PolarHBondContact O-N 3.33Å
183L98Very high97.9Very high12 Ų1250.6 Ų50.66%0.06327%0.266CS..Hα-helixtrans-62.3-48.4173.5-172.363.1000110.5F7 I167 Y179 L180 W181 T185 K186 L187F7-L183 HydrophobicContact CD2-CD1 3.82Å; F7-L183 HydrophobicContact CD2-CG 4.42Å; F7-L183 HydrophobicContact CE2-CD1 4.2Å; F7-L183 HydrophobicContact CE2-CD2 4.19Å; F7-L183 HydrophobicContact CE2-CG 4.34Å; I167-L183 HydrophobicContact CD1-CD2 3.95Å; Y179-L183 HydrophobicContact CE1-CD2 4.31Å; Y179-L183 WeakPolarHBondContact O-CB 3.37Å; Y179-L183 PolarHBondContact O-N 3.27Å; L180-L183 PolarHBondContact O-N 2.85Å; W181-L183 VanDerWaalsContact C-N 3.31Å; W181-L183 PolarHBondContact O-N 3.39Å; L183-T185 VanDerWaalsContact C-N 3.34Å; L183-T185 PolarHBondContact O-N 3.5Å; L183-K186 PolarHBondContact O-N 3.02Å; L183-L187 HydrophobicContact CG-CD1 4.4Å; L183-L187 WeakPolarHBondContact O-CG 3.29Å; L183-L187 PolarHBondContact O-N 3.1Å
184T98.2Very high98.1Very high0 Ų047.9 Ų47.90%025%0.253CS..Hα-helixtrans-61.8-41.8-179.9-50.40000111.4P151 L161 L180 W181 K186 L187 V188P151-T184 HydrophobicContact CB-CG2 3.59Å; L161-T184 WeakPolarHBondContact CD1-OG1 3.35Å; L180-T184 WeakPolarHBondContact O-CB 3.18Å; L180-T184 PolarHBondContact O-N 2.96Å; L180-T184 PolarHBondContact O-OG1 3.27Å; W181-T184 PolarHBondContact O-N 3.46Å; W181-T184 VanDerWaalsContact O-N 3.14Å; T184-K186 PolarHBondContact O-N 3.09Å; T184-L187 WeakPolarHBondContact O-CB 3.38Å; T184-L187 PolarHBondContact O-N 3.29Å; T184-V188 WeakPolarHBondContact O-CG2 3.43Å; T184-V188 PolarHBondContact O-N 3.32Å; T184-V188 VanDerWaalsContact O-N 3.15Å
185T98.3Very high98.1Very high69 Ų6945 Ų4542%0.42323%0.231SC..Hα-helixtrans-52.7-41.3175.7-550000112.2P151 W181 L183 L187P151-T185 WeakPolarHBondContact CG-OG1 3.48Å; W181-T185 PolarHBondContact O-N 2.97Å; W181-T185 PolarHBondContact O-OG1 3.5Å; L183-T185 VanDerWaalsContact C-N 3.34Å; L183-T185 PolarHBondContact O-N 3.5Å; T185-L187 VanDerWaalsContact C-N 3.28Å; T185-L187 PolarHBondContact O-N 2.98Å
186K97.8Very high98.2Very high145 Ų14539.9 Ų39.963%0.6320%0.2SC*.Hα-helixtrans-71.1-23.7179.2-65173.3-176.6-178.40113.1R16 N182 L183 T184R16-K186 PolarHBondContact NH2-O 2.97Å; N182-K186 WeakPolarHBondContact O-CG 3.41Å; N182-K186 PolarHBondContact O-N 3.33Å; L183-K186 PolarHBondContact O-N 3.02Å; T184-K186 PolarHBondContact O-N 3.09Å
187L98.6Very high98.3Very high0 Ų039.9 Ų39.90%020%0.2CC..Hα-helixtrans-89.3-32-173.7-66.8179.1000113.7F7 I12 L15 R16 L161 L183 T184 T185 D189 F196F7-L187 HydrophobicContact CB-CD2 4.44Å; F7-L187 HydrophobicContact CD2-CD1 4.19Å; F7-L187 HydrophobicContact CD2-CD2 3.75Å; F7-L187 HydrophobicContact CD2-CG 4.4Å; F7-L187 HydrophobicContact CE2-CD1 3.8Å; F7-L187 HydrophobicContact CE2-CD2 4.12Å; F7-L187 HydrophobicContact CE2-CG 4.49Å; F7-L187 HydrophobicContact CG-CD2 4.09Å; F7-L187 HydrophobicContact CZ-CD1 4.46Å; I12-L187 HydrophobicContact CB-CD2 4.45Å; I12-L187 HydrophobicContact CD1-CD2 4.37Å; I12-L187 HydrophobicContact CG1-CD2 3.82Å; I12-L187 HydrophobicContact CG2-CD2 4.25Å; L15-L187 HydrophobicContact CD1-CD1 4.42Å; L15-L187 HydrophobicContact CD1-CD2 4.28Å; R16-L187 PolarHBondContact NE-O 3.41Å; R16-L187 PolarHBondContact NH2-O 3.05Å; L161-L187 HydrophobicContact CD2-CD1 3.56Å; L183-L187 HydrophobicContact CG-CD1 4.4Å; L183-L187 WeakPolarHBondContact O-CG 3.29Å; L183-L187 PolarHBondContact O-N 3.1Å; T184-L187 WeakPolarHBondContact O-CB 3.38Å; T184-L187 PolarHBondContact O-N 3.29Å; T185-L187 VanDerWaalsContact C-N 3.28Å; T185-L187 PolarHBondContact O-N 2.98Å; L187-D189 PolarHBondContact O-N 2.83Å; L187-F196 HydrophobicContact CB-CE1 4.22Å; L187-F196 HydrophobicContact CB-CZ 3.86Å; L187-F196 WeakPolarHBondContact O-CZ 3.48Å
188V98.6Very high98.3Very high2 Ų238.6 Ų38.61%0.01219%0.194CC..SBendtrans-48.1129.2-176.7179.50000110.3R16 P151 T184 P193 F196R16-V188 PolarHBondContact NE-O 2.93Å; R16-V188 PolarHBondContact NH2-O 3.11Å; P151-V188 HydrophobicContact CB-CG2 4.01Å; T184-V188 WeakPolarHBondContact O-CG2 3.43Å; T184-V188 PolarHBondContact O-N 3.32Å; T184-V188 VanDerWaalsContact O-N 3.15Å; V188-P193 HydrophobicContact CG1-CB 3.53Å; V188-F196 HydrophobicContact CB-CD1 4.43Å; V188-F196 HydrophobicContact CG2-CD1 4.47Å
189D98.7Very high98.4Very high18 Ų1834.6 Ų34.610%0.09618%0.175CC..  trans-68.1125175.8-171.8-90.6000109.8R16 L20 L187 N191 R192 P193 F196R16-D189 WeakPolarHBondContact CD-OD2 3.28Å; R16-D189 HydrophobicContact CG-CB 4.21Å; L20-D189 HydrophobicContact CD1-CB 4.26Å; L187-D189 PolarHBondContact O-N 2.83Å; D189-N191 PolarHBondContact O-N 3.29Å; D189-N191 WeakPolarHBondContact OD1-CA 3.36Å; D189-N191 WeakPolarHBondContact OD1-CB 3.38Å; D189-N191 PolarHBondContact OD1-N 3.21Å; D189-R192 PolarHBondContact OD1-N 3.43Å; D189-P193 VanDerWaalsContact O-CA 3.28Å; D189-P193 WeakPolarHBondContact O-CA 3.29Å; D189-P193 WeakPolarHBondContact O-CB 3.2Å; D189-P193 VanDerWaalsContact O-CD 3.28Å; D189-P193 WeakPolarHBondContact O-CD 3.46Å; D189-P193 VanDerWaalsContact O-N 3.14Å; D189-F196 HydrophobicContact CB-CB 3.84Å; D189-F196 HydrophobicContact CB-CD2 3.95Å; D189-F196 HydrophobicContact CB-CG 4.06Å
190P98.2Very high98.4Very high70 Ų7032.4 Ų32.446%0.45517%0.167SC..SBendtrans-70.4-19.9-176.928.1-34.8000113.4
191N98.4Very high98.4Very high126 Ų12633.4 Ų33.467%0.67417%0.172SC*.SBendtrans-95.3-34.5-177.1-56.9-50.6000112N147 D189 P193N147-N191 PolarHBondContact ND2-O 2.94Å; D189-N191 PolarHBondContact O-N 3.29Å; D189-N191 WeakPolarHBondContact OD1-CA 3.36Å; D189-N191 WeakPolarHBondContact OD1-CB 3.38Å; D189-N191 PolarHBondContact OD1-N 3.21Å; N191-P193 VanDerWaalsContact C-CD 3.43Å
192R98.3Very high98.3Very high71 Ų7132.6 Ų32.627%0.26817%0.169SC..  trans-130.254.4-177.9-63.6179.162.8-170.81.1112.3L20 D24 D189 G194 D195 F196L20-R192 HydrophobicContact CD1-CB 4.4Å; L20-R192 HydrophobicContact CD2-CB 4.48Å; D24-R192 IonicContact OD1-CZ 2.73Å; D24-R192 IonicContact OD1-NH1 3.74Å; D24-R192 IonicContact OD1-NH2 2.73Å; D24-R192 PolarHBondContact OD1-NH2 3.28Å; D24-R192 IonicContact OD2-CZ 2.89Å; D24-R192 IonicContact OD2-NH1 2.79Å; D24-R192 PolarHBondContact OD2-NH1 3.47Å; D24-R192 IonicContact OD2-NH2 2.93Å; D24-R192 PolarHBondContact OD2-NH2 2.96Å; D189-R192 PolarHBondContact OD1-N 3.43Å; R192-G194 VanDerWaalsContact C-N 3.33Å; R192-G194 PolarHBondContact O-N 2.87Å; R192-D195 HydrophobicContact CB-CB 4.28Å; R192-D195 IonicContact CZ-OD2 3.98Å; R192-D195 VanDerWaalsContact CZ-OD2 3.31Å; R192-D195 IonicContact NE-OD2 2.67Å; R192-D195 PolarHBondContact NE-OD2 2.94Å; R192-D195 IonicContact NH2-OD2 2.68Å; R192-D195 PolarHBondContact NH2-OD2 3.3Å; R192-D195 PolarHBondContact O-N 3.19Å; R192-F196 VanDerWaalsContact O-CB 3.31Å; R192-F196 WeakPolarHBondContact O-CB 3.43Å; R192-F196 PolarHBondContact O-N 3.24Å
193P98.6Very high98.4Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-59.6-40-174.923.6-36000113.4N147 Q148 V188 D189 N191 F196 N197N147-P193 VanDerWaalsContact O-CG 3.31Å; N147-P193 WeakPolarHBondContact O-CG 3.26Å; N147-P193 VanDerWaalsContact OD1-CD 3.24Å; N147-P193 WeakPolarHBondContact OD1-CD 3.41Å; N147-P193 WeakPolarHBondContact OD1-CG 3.44Å; Q148-P193 WeakPolarHBondContact O-CB 3.45Å; V188-P193 HydrophobicContact CG1-CB 3.53Å; D189-P193 VanDerWaalsContact O-CA 3.28Å; D189-P193 WeakPolarHBondContact O-CA 3.29Å; D189-P193 WeakPolarHBondContact O-CB 3.2Å; D189-P193 VanDerWaalsContact O-CD 3.28Å; D189-P193 WeakPolarHBondContact O-CD 3.46Å; D189-P193 VanDerWaalsContact O-N 3.14Å; N191-P193 VanDerWaalsContact C-CD 3.43Å; P193-F196 PolarHBondContact O-N 3.14Å; P193-N197 WeakPolarHBondContact O-CB 3.41Å; P193-N197 PolarHBondContact O-N 3.47Å; P193-N197 PolarHBondContact O-ND2 3.48Å
194G98.4Very high98.4Very high5 Ų528.4 Ų28.45%0.05215%0.146CC..Hα-helixtrans-62.8-50.3177.800000113.1S143 R192 F196 N197 Q198S143-G194 VanDerWaalsContact C-CA 3.44Å; S143-G194 WeakPolarHBondContact O-CA 3.37Å; S143-G194 PolarHBondContact O-N 3.39Å; R192-G194 VanDerWaalsContact C-N 3.33Å; R192-G194 PolarHBondContact O-N 2.87Å; G194-F196 VanDerWaalsContact C-N 3.35Å; G194-N197 PolarHBondContact O-N 3.3Å; G194-Q198 WeakPolarHBondContact O-CB 3.35Å; G194-Q198 WeakPolarHBondContact O-CG 3.38Å; G194-Q198 PolarHBondContact O-N 3.46Å
195D98.6Very high98.3Very high45 Ų4530.3 Ų30.324%0.24116%0.162CC..Hα-helixtrans-65.2-39.2176.5-74.9-29.9000111.6L20 Y23 R192 Q198 A199L20-D195 HydrophobicContact CD2-CB 3.89Å; Y23-D195 HydrophobicContact CD1-CB 4.29Å; Y23-D195 HydrophobicContact CE1-CB 4.17Å; R192-D195 HydrophobicContact CB-CB 4.28Å; R192-D195 IonicContact CZ-OD2 3.98Å; R192-D195 VanDerWaalsContact CZ-OD2 3.31Å; R192-D195 IonicContact NE-OD2 2.67Å; R192-D195 PolarHBondContact NE-OD2 2.94Å; R192-D195 IonicContact NH2-OD2 2.68Å; R192-D195 PolarHBondContact NH2-OD2 3.3Å; R192-D195 PolarHBondContact O-N 3.19Å; D195-Q198 PolarHBondContact O-N 3.43Å; D195-A199 WeakPolarHBondContact O-CB 3.4Å; D195-A199 PolarHBondContact O-N 2.97Å
196F98.8Very high98.2Very high0 Ų030.2 Ų30.20%016%0.161CC..Hα-helixtrans-60.2-49.8177.2178.1-86.3000111.6L15 R16 L19 L20 L187 V188 D189 R192 P193 G194 Q198 A199 L200L15-F196 HydrophobicContact CD2-CE2 3.5Å; L15-F196 VanDerWaalsContact CD2-CE2 3.5Å; L15-F196 HydrophobicContact CD2-CZ 3.64Å; R16-F196 HydrophobicContact CG-CD2 4.09Å; R16-F196 HydrophobicContact CG-CE2 3.78Å; L19-F196 HydrophobicContact CD2-CD2 4.19Å; L19-F196 HydrophobicContact CD2-CE2 3.89Å; L19-F196 HydrophobicContact CD2-CZ 4.28Å; L20-F196 HydrophobicContact CD2-CB 4.27Å; L187-F196 HydrophobicContact CB-CE1 4.22Å; L187-F196 HydrophobicContact CB-CZ 3.86Å; L187-F196 WeakPolarHBondContact O-CZ 3.48Å; V188-F196 HydrophobicContact CB-CD1 4.43Å; V188-F196 HydrophobicContact CG2-CD1 4.47Å; D189-F196 HydrophobicContact CB-CB 3.84Å; D189-F196 HydrophobicContact CB-CD2 3.95Å; D189-F196 HydrophobicContact CB-CG 4.06Å; R192-F196 VanDerWaalsContact O-CB 3.31Å; R192-F196 WeakPolarHBondContact O-CB 3.43Å; R192-F196 PolarHBondContact O-N 3.24Å; P193-F196 PolarHBondContact O-N 3.14Å; G194-F196 VanDerWaalsContact C-N 3.35Å; F196-Q198 VanDerWaalsContact C-N 3.34Å; F196-Q198 PolarHBondContact O-N 3.46Å; F196-A199 PolarHBondContact O-N 3.08Å; F196-L200 HydrophobicContact CE1-CD2 4.15Å; F196-L200 HydrophobicContact CZ-CD2 4.47Å; F196-L200 PolarHBondContact O-N 2.73Å
197N98.7Very high98.2Very high0 Ų023.9 Ų23.90%014%0.135CC..Hα-helixtrans-60.1-46.5178.2-77.9-32.1000110.6S143 T150 V152 P193 G194 A199 L200 M201S143-N197 VanDerWaalsContact CB-ND2 3.28Å; S143-N197 WeakPolarHBondContact CB-ND2 3.28Å; S143-N197 PolarHBondContact OG-ND2 2.78Å; T150-N197 PolarHBondContact O-ND2 2.74Å; V152-N197 HydrophobicContact CB-CB 3.97Å; V152-N197 HydrophobicContact CG2-CB 3.97Å; V152-N197 WeakPolarHBondContact CG2-ND2 3.16Å; V152-N197 PolarHBondContact N-OD1 3Å; P193-N197 WeakPolarHBondContact O-CB 3.41Å; P193-N197 PolarHBondContact O-N 3.47Å; P193-N197 PolarHBondContact O-ND2 3.48Å; G194-N197 PolarHBondContact O-N 3.3Å; N197-A199 VanDerWaalsContact C-N 3.34Å; N197-A199 PolarHBondContact O-N 3.41Å; N197-L200 PolarHBondContact O-N 2.93Å; N197-M201 HydrophobicContact CB-CE 4.36Å; N197-M201 WeakPolarHBondContact O-CE 3.32Å; N197-M201 WeakPolarHBondContact O-CG 3.28Å; N197-M201 PolarHBondContact O-N 3.36Å; N197-M201 VanDerWaalsContact O-N 3.09Å
198Q98.5Very high98.2Very high20 Ų2024.5 Ų24.59%0.09314%0.139CC..Hα-helixtrans-63.2-37.9176.3-72-172.382.700113.1Y23 I144 G194 D195 F196 M201 E202Y23-Q198 HydrophobicContact CE1-CB 4.33Å; Y23-Q198 HydrophobicContact CE2-CB 4.1Å; Y23-Q198 VanDerWaalsContact OH-CB 3.31Å; Y23-Q198 WeakPolarHBondContact OH-CB 2.91Å; Y23-Q198 PolarHBondContact OH-OE1 3.08Å; I144-Q198 HydrophobicContact CD1-CG 3.65Å; I144-Q198 HydrophobicContact CG1-CG 3.92Å; G194-Q198 WeakPolarHBondContact O-CB 3.35Å; G194-Q198 WeakPolarHBondContact O-CG 3.38Å; G194-Q198 PolarHBondContact O-N 3.46Å; D195-Q198 PolarHBondContact O-N 3.43Å; F196-Q198 VanDerWaalsContact C-N 3.34Å; F196-Q198 PolarHBondContact O-N 3.46Å; Q198-M201 HydrophobicContact CG-CE 4.2Å; Q198-M201 PolarHBondContact O-N 3.14Å; Q198-E202 VanDerWaalsContact O-CB 3.22Å; Q198-E202 WeakPolarHBondContact O-CB 3.39Å; Q198-E202 PolarHBondContact O-N 3.37Å
199A98.7Very high98.1Very high0 Ų025.9 Ų25.90%015%0.148CC..Hα-helixtrans-64.8-40.8178.300000111.8L19 Y23 D195 F196 N197 E202 L203L19-A199 HydrophobicContact CD1-CB 4.05Å; L19-A199 HydrophobicContact CD2-CB 4.05Å; L19-A199 HydrophobicContact CG-CB 3.64Å; Y23-A199 VanDerWaalsContact CB-CB 3.49Å; Y23-A199 HydrophobicContact CD1-CB 4.11Å; Y23-A199 VanDerWaalsContact CD2-CA 3.42Å; Y23-A199 HydrophobicContact CD2-CB 3.69Å; Y23-A199 HydrophobicContact CE2-CB 4.43Å; Y23-A199 HydrophobicContact CG-CB 3.5Å; Y23-A199 VanDerWaalsContact CG-CB 3.5Å; D195-A199 WeakPolarHBondContact O-CB 3.4Å; D195-A199 PolarHBondContact O-N 2.97Å; F196-A199 PolarHBondContact O-N 3.08Å; N197-A199 VanDerWaalsContact C-N 3.34Å; N197-A199 PolarHBondContact O-N 3.41Å; A199-E202 PolarHBondContact O-N 3.4Å; A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.3Å; A199-L203 PolarHBondContact O-N 3.44Å
200L98.5Very high98.1Very high0 Ų029 Ų290%017%0.169CC..Hα-helixtrans-67.8-40.4178.1-160.160.7000111.5L19 V157 V160 L161 F196 N197 G204L19-L200 HydrophobicContact CD2-CB 4.1Å; L19-L200 HydrophobicContact CD2-CD1 3.86Å; V157-L200 HydrophobicContact CB-CD2 4.36Å; V157-L200 HydrophobicContact CB-CG 4.4Å; V157-L200 HydrophobicContact CG1-CD2 3.41Å; V157-L200 VanDerWaalsContact CG1-CD2 3.41Å; V157-L200 HydrophobicContact CG1-CG 3.91Å; V157-L200 HydrophobicContact CG2-CB 4.15Å; V157-L200 HydrophobicContact CG2-CD2 4.13Å; V157-L200 HydrophobicContact CG2-CG 3.96Å; V160-L200 HydrophobicContact CB-CD1 4.44Å; V160-L200 HydrophobicContact CG1-CD1 3.72Å; L161-L200 HydrophobicContact CD2-CD2 4.41Å; F196-L200 HydrophobicContact CE1-CD2 4.15Å; F196-L200 HydrophobicContact CZ-CD2 4.47Å; F196-L200 PolarHBondContact O-N 2.73Å; N197-L200 PolarHBondContact O-N 2.93Å; L200-G204 PolarHBondContact O-N 3.2Å
201M97.8Very high98Very high21 Ų2133.7 Ų33.710%0.10318%0.182CC..Hα-helixtrans-63-47.2171.8-70.1-174.2-78.200111.7Y136 V152 V157 N197 Q198 L203 G204 A205Y136-M201 HydrophobicContact CE2-SD 4.08Å; Y136-M201 PolarHBondContact OH-SD 3.49Å; V152-M201 HydrophobicContact CG1-CE 4.02Å; V152-M201 HydrophobicContact CG1-SD 3.87Å; V157-M201 HydrophobicContact CG2-CG 3.72Å; N197-M201 HydrophobicContact CB-CE 4.36Å; N197-M201 WeakPolarHBondContact O-CE 3.32Å; N197-M201 WeakPolarHBondContact O-CG 3.28Å; N197-M201 PolarHBondContact O-N 3.36Å; N197-M201 VanDerWaalsContact O-N 3.09Å; Q198-M201 HydrophobicContact CG-CE 4.2Å; Q198-M201 PolarHBondContact O-N 3.14Å; M201-L203 PolarHBondContact O-N 2.92Å; M201-G204 PolarHBondContact O-N 3.47Å; M201-A205 WeakPolarHBondContact O-CB 3.19Å; M201-A205 PolarHBondContact O-N 2.96Å
202E97.7Very high97.9Very high4 Ų434.3 Ų34.32%0.01919%0.186CC..Hα-helixtrans-61.6-44.8179.7-166.479.3158.100110.9W22 Y23 R28 R33 Q198 A199 G204 A205 V206W22-E202 HydrophobicContact CH2-CB 4.04Å; W22-E202 HydrophobicContact CH2-CG 3.8Å; W22-E202 HydrophobicContact CZ3-CB 4.13Å; W22-E202 HydrophobicContact CZ3-CG 4.27Å; Y23-E202 HydrophobicContact CD2-CB 4.11Å; Y23-E202 HydrophobicContact CD2-CG 4.35Å; Y23-E202 HydrophobicContact CE2-CB 3.99Å; Y23-E202 HydrophobicContact CE2-CG 4.26Å; R28-E202 WeakPolarHBondContact CG-OE1 3.38Å; R28-E202 IonicContact CZ-OE1 2.61Å; R28-E202 IonicContact CZ-OE2 3.63Å; R28-E202 PolarHBondContact N-OE1 3.24Å; R28-E202 IonicContact NE-OE1 3.56Å; R28-E202 PolarHBondContact NE-OE1 2.95Å; R28-E202 IonicContact NE-OE2 2.83Å; R28-E202 PolarHBondContact NE-OE2 3.12Å; R28-E202 IonicContact NH2-OE1 2.97Å; R28-E202 IonicContact NH2-OE2 3.6Å; R28-E202 PolarHBondContact NH2-OE2 3.41Å; R33-E202 IonicContact CZ-OE1 2.97Å; R33-E202 IonicContact CZ-OE2 3.52Å; R33-E202 IonicContact NH1-OE1 3.16Å; R33-E202 PolarHBondContact NH1-OE1 2.77Å; R33-E202 IonicContact NH1-OE2 2.73Å; R33-E202 VanDerWaalsContact NH2-CD 3.28Å; R33-E202 IonicContact NH2-OE1 2.81Å; R33-E202 IonicContact NH2-OE2 3.49Å; R33-E202 PolarHBondContact NH2-OE2 3.46Å; Q198-E202 VanDerWaalsContact O-CB 3.22Å; Q198-E202 WeakPolarHBondContact O-CB 3.39Å; Q198-E202 PolarHBondContact O-N 3.37Å; A199-E202 PolarHBondContact O-N 3.4Å; E202-G204 VanDerWaalsContact C-N 3.31Å; E202-G204 PolarHBondContact O-N 3.47Å; E202-A205 WeakPolarHBondContact O-CB 3.22Å; E202-A205 PolarHBondContact O-N 2.94Å; E202-V206 WeakPolarHBondContact O-CG2 3.35Å; E202-V206 PolarHBondContact O-N 3.21Å
203L98.6Very high97.9Very high1 Ų132 Ų321%0.00518%0.18CC..Hα-helixtrans-57.3-46.6177.6-178.971.3000110.7L19 W22 V160 A199 M201 A205 C207 C208 P219 L220L19-L203 HydrophobicContact CD1-CB 4.14Å; L19-L203 HydrophobicContact CD1-CD2 4Å; W22-L203 HydrophobicContact CH2-CB 4.09Å; W22-L203 HydrophobicContact CH2-CD1 4.26Å; W22-L203 HydrophobicContact CZ2-CD1 4.39Å; W22-L203 HydrophobicContact CZ3-CB 3.91Å; W22-L203 HydrophobicContact CZ3-CD1 4.33Å; V160-L203 HydrophobicContact CG1-CD2 4.02Å; V160-L203 HydrophobicContact CG2-CD2 4.36Å; V160-L203 HydrophobicContact CG2-CG 4.48Å; A199-L203 VanDerWaalsContact O-CB 3.29Å; A199-L203 WeakPolarHBondContact O-CB 3.3Å; A199-L203 PolarHBondContact O-N 3.44Å; M201-L203 PolarHBondContact O-N 2.92Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 2.91Å; L203-C207 HydrophobicContact CD1-CB 3.87Å; L203-C207 PolarHBondContact O-N 3.09Å; L203-C208 HydrophobicContact CG-CB 4.47Å; L203-C208 PolarHBondContact O-N 2.95Å; L203-P219 HydrophobicContact CD1-CG 3.87Å; L203-L220 HydrophobicContact CD2-CD1 3.54Å; L203-L220 HydrophobicContact CD2-CG 3.98Å
204G98.1Very high97.8Very high0 Ų034.8 Ų34.80%019%0.194CC..Hα-helixtrans-62.6-40175.100000112.2R159 L200 M201 E202 C208R159-G204 VanDerWaalsContact NH2-C 3.27Å; R159-G204 PolarHBondContact NH2-O 3.02Å; L200-G204 PolarHBondContact O-N 3.2Å; M201-G204 PolarHBondContact O-N 3.47Å; E202-G204 VanDerWaalsContact C-N 3.31Å; E202-G204 PolarHBondContact O-N 3.47Å; G204-C208 CarbonylContact O-C 3.42Å
205A95.7Very high97.8Very high40 Ų4035.6 Ų35.633%0.33120%0.199SC..Hα-helixtrans-67.9-41.2-177.500000113.8M201 E202 L203M201-A205 WeakPolarHBondContact O-CB 3.19Å; M201-A205 PolarHBondContact O-N 2.96Å; E202-A205 WeakPolarHBondContact O-CB 3.22Å; E202-A205 PolarHBondContact O-N 2.94Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 2.91Å
206V96.5Very high97.7Very high67 Ų6739.6 Ų39.641%0.40622%0.219SC..Hα-helixtrans-114.2-16.8-168.2-50.10000115.3W22 E202W22-V206 HydrophobicContact CH2-CG2 4.02Å; W22-V206 HydrophobicContact CZ2-CG2 3.85Å; E202-V206 WeakPolarHBondContact O-CG2 3.35Å; E202-V206 PolarHBondContact O-N 3.21Å
207C98Very high97.6Very high11 Ų1146 Ų467%0.07425%0.247CC..THydrogen-bonded Turntrans-126.4-58.1-174.6173.60000111.8L203 T209 P213 D214 C218L203-C207 HydrophobicContact CD1-CB 3.87Å; L203-C207 PolarHBondContact O-N 3.09Å; C207-T209 PolarHBondContact O-N 2.89Å; C207-P213 CarbonylContact O-C 3.59Å; C207-P213 VanDerWaalsContact O-CA 3.32Å; C207-P213 WeakPolarHBondContact O-CA 3.42Å; C207-P213 WeakPolarHBondContact O-CB 3.22Å; C207-D214 PolarHBondContact O-N 2.94Å; C207-D214 PolarHBondContact SG-O 3.13Å; C207-C218 VanDerWaalsContact SG-CA 3.52Å; C207-C218 VanDerWaalsContact SG-CB 3.59Å
208C98.5Very high97.6Very high14 Ų1446.6 Ų46.610%0.09525%0.251CS..SBendtrans-84.956.9177.5-164.90000110.5R159 V160 R163 L203 G204R159-C208 PolarHBondContact NE-O 3.09Å; R159-C208 PolarHBondContact NH2-O 3.42Å; V160-C208 HydrophobicContact CG2-CB 3.88Å; R163-C208 WeakPolarHBondContact CD-SG 3.43Å; R163-C208 PolarHBondContact NH1-O 2.75Å; R163-C208 PolarHBondContact NH1-SG 3.42Å; L203-C208 HydrophobicContact CG-CB 4.47Å; L203-C208 PolarHBondContact O-N 2.95Å; G204-C208 CarbonylContact O-C 3.42Å
209T98Very high97.6Very high31 Ų3146 Ų4619%0.1925%0.249CC..  trans-71.7162.3-173.854.50000113R163 C207 K211 P213R163-T209 PolarHBondContact NH1-O 3.19Å; R163-T209 PolarHBondContact NH2-O 2.89Å; R163-T209 VanDerWaalsContact NH2-O 3.09Å; C207-T209 PolarHBondContact O-N 2.89Å; T209-K211 PolarHBondContact O-N 2.93Å; T209-K211 PolarHBondContact OG1-O 2.88Å; T209-P213 WeakPolarHBondContact OG1-CA 3.36Å
210P97.1Very high97.6Very high84 Ų8446 Ų4655%0.54525%0.249SC..SBendtrans-58.4-44178.9-26.836000113.8R163R163-P210 PolarHBondContact NH2-O 2.82Å
211K96.6Very high97.5Very high168 Ų16847.1 Ų47.173%0.7326%0.255SS*.SBendtrans-117.9140.2177.3-63.1-174.2177.7-174.20109.3T209T209-K211 PolarHBondContact O-N 2.93Å; T209-K211 PolarHBondContact OG1-O 2.88Å
212N96.3Very high97.5Very high139 Ų13953.2 Ų53.274%0.74328%0.281SS*.SBendtrans50.657177-53.3-27.6000113.7
213P97.9Very high97.5Very high23 Ų2356 Ų5615%0.14930%0.298CS..  trans-63.5141.2177.327.6-33.7000111.8C207 T209 C215 V262C207-P213 CarbonylContact O-C 3.59Å; C207-P213 VanDerWaalsContact O-CA 3.32Å; C207-P213 WeakPolarHBondContact O-CA 3.42Å; C207-P213 WeakPolarHBondContact O-CB 3.22Å; T209-P213 WeakPolarHBondContact OG1-CA 3.36Å; P213-C215 PolarHBondContact O-N 3.47Å; P213-V262 HydrophobicContact CG-CG2 3.44Å; P213-V262 VanDerWaalsContact CG-CG2 3.44Å
214D97.7Very high97.4Very high57 Ų5757.4 Ų57.431%0.30531%0.313SS..  trans-82.568.6177.6-165.5-19.8000110.3C207 I216 K217 C218C207-D214 PolarHBondContact O-N 2.94Å; C207-D214 PolarHBondContact SG-O 3.13Å; D214-I216 PolarHBondContact O-N 3.34Å; D214-K217 PolarHBondContact O-N 3.04Å; D214-K217 WeakPolarHBondContact OD1-CG 3.48Å; D214-K217 PolarHBondContact OD1-N 3.2Å; D214-K217 WeakPolarHBondContact OD2-CD 3.49Å; D214-K217 VanDerWaalsContact OD2-CE 3.27Å; D214-K217 WeakPolarHBondContact OD2-CE 3.19Å; D214-K217 IonicContact OD2-NZ 2.83Å; D214-K217 PolarHBondContact OD2-NZ 3.29Å; D214-C218 PolarHBondContact O-N 3.4Å; D214-C218 VanDerWaalsContact O-N 3.12Å
215C97.9Very high97.4Very high22 Ų2257.6 Ų57.615%0.14931%0.314CS..THydrogen-bonded Turntrans-62.6-27-176.6-660000113.2P213 C218 N221 Y229P213-C215 PolarHBondContact O-N 3.47Å; C215-C218 WeakPolarHBondContact O-CB 3.48Å; C215-C218 PolarHBondContact O-N 3.17Å; C215-N221 WeakPolarHBondContact O-CB 3.32Å; C215-N221 PolarHBondContact O-ND2 3.05Å; C215-Y229 HydrophobicContact CB-CD2 3.42Å; C215-Y229 VanDerWaalsContact CB-CD2 3.42Å; C215-Y229 HydrophobicContact CB-CE2 3.44Å; C215-Y229 VanDerWaalsContact CB-CE2 3.44Å; C215-Y229 HydrophobicContact CB-CG 4.42Å
216I96.1Very high97.5Very high130 Ų13056.2 Ų56.267%0.66730%0.301SS*.THydrogen-bonded Turntrans-68-40.3178.9-61.9173.5000110D214 K222D214-I216 PolarHBondContact O-N 3.34Å; I216-K222 WeakPolarHBondContact O-CE 3.49Å
217K96.4Very high97.5Very high135 Ų13554.3 Ų54.359%0.58729%0.288SS*.THydrogen-bonded Turntrans-85.1-13.3177.8-64.1-173-158.5134.40114.2D214D214-K217 PolarHBondContact O-N 3.04Å; D214-K217 WeakPolarHBondContact OD1-CG 3.48Å; D214-K217 PolarHBondContact OD1-N 3.2Å; D214-K217 WeakPolarHBondContact OD2-CD 3.49Å; D214-K217 VanDerWaalsContact OD2-CE 3.27Å; D214-K217 WeakPolarHBondContact OD2-CE 3.19Å; D214-K217 IonicContact OD2-NZ 2.83Å; D214-K217 PolarHBondContact OD2-NZ 3.29Å
218C98.4Very high97.3Very high11 Ų1153.9 Ų53.97%0.07429%0.285CS..  trans-57.9121.4-177.2179.20000112.5C207 D214 C215 L220 N221 K222C207-C218 VanDerWaalsContact SG-CA 3.52Å; C207-C218 VanDerWaalsContact SG-CB 3.59Å; D214-C218 PolarHBondContact O-N 3.4Å; D214-C218 VanDerWaalsContact O-N 3.12Å; C215-C218 WeakPolarHBondContact O-CB 3.48Å; C215-C218 PolarHBondContact O-N 3.17Å; C218-L220 VanDerWaalsContact C-N 3.26Å; C218-L220 PolarHBondContact O-N 3.2Å; C218-N221 HydrophobicContact CB-CB 3.85Å; C218-N221 PolarHBondContact O-N 3.1Å; C218-N221 VanDerWaalsContact O-N 3.16Å; C218-K222 WeakPolarHBondContact O-CG 3.32Å; C218-K222 PolarHBondContact O-N 3.29Å; C218-K222 VanDerWaalsContact O-N 3.08Å
219P98.5Very high97.2Very high9 Ų956.2 Ų56.26%0.05829%0.293CS..Hα-helixtrans-62.1-33.9-178.327.6-37.8000112.6S18 W22 L203 V223S18-P219 PolarHBondContact OG-O 3.21Å; W22-P219 HydrophobicContact CB-CB 3.69Å; W22-P219 HydrophobicContact CB-CG 3.74Å; W22-P219 HydrophobicContact CD2-CG 3.88Å; W22-P219 HydrophobicContact CE3-CG 4.38Å; W22-P219 HydrophobicContact CG-CB 3.95Å; W22-P219 HydrophobicContact CG-CG 3.56Å; L203-P219 HydrophobicContact CD1-CG 3.87Å; P219-V223 PolarHBondContact O-N 3.36Å
220L98.6Very high97Very high0 Ų058.7 Ų58.70%030%0.301CS..Hα-helixtrans-76.6-29179.3-58.9-174000112.6L15 L19 V160 L164 L203 C218 V223 L225L15-L220 HydrophobicContact CG-CD1 4.35Å; L15-L220 HydrophobicContact CG-CD2 4.02Å; L19-L220 HydrophobicContact CB-CD2 4.18Å; V160-L220 HydrophobicContact CG1-CD1 4.5Å; L164-L220 HydrophobicContact CD1-CD1 3.66Å; L164-L220 HydrophobicContact CD2-CB 3.98Å; L164-L220 HydrophobicContact CD2-CD1 4.12Å; L164-L220 HydrophobicContact CG-CD1 4.46Å; L203-L220 HydrophobicContact CD2-CD1 3.54Å; L203-L220 HydrophobicContact CD2-CG 3.98Å; C218-L220 VanDerWaalsContact C-N 3.26Å; C218-L220 PolarHBondContact O-N 3.2Å; L220-V223 WeakPolarHBondContact O-CG2 3.49Å; L220-L225 HydrophobicContact CD2-CD1 4.29Å; L220-L225 WeakPolarHBondContact O-CB 3.44Å; L220-L225 PolarHBondContact O-N 2.7Å
221N97.6Very high96.7Very high23 Ų2356.1 Ų56.112%0.12328%0.281CS..Hα-helixtrans-72.2-40.2172.9-171.946.7000111.5C215 C218 V223 G224 C226 Y229C215-N221 WeakPolarHBondContact O-CB 3.32Å; C215-N221 PolarHBondContact O-ND2 3.05Å; C218-N221 HydrophobicContact CB-CB 3.85Å; C218-N221 PolarHBondContact O-N 3.1Å; C218-N221 VanDerWaalsContact O-N 3.16Å; N221-V223 PolarHBondContact O-N 3.46Å; N221-G224 WeakPolarHBondContact O-CA 3.3Å; N221-G224 PolarHBondContact O-N 3.12Å; N221-C226 HydrophobicContact CB-CB 4.32Å; N221-Y229 WeakPolarHBondContact ND2-CD1 3.45Å; N221-Y229 VanDerWaalsContact ND2-CE1 3.31Å; N221-Y229 WeakPolarHBondContact ND2-CE1 3.32Å; N221-Y229 WeakPolarHBondContact OD1-CD1 3.36Å
222K97Very high96.3Very high148 Ų14849.5 Ų49.564%0.64326%0.258SS*.Hα-helixtrans-57-32.4178.2-73.8177176.8178.80113.4I216 C218 G224I216-K222 WeakPolarHBondContact O-CE 3.49Å; C218-K222 WeakPolarHBondContact O-CG 3.32Å; C218-K222 PolarHBondContact O-N 3.29Å; C218-K222 VanDerWaalsContact O-N 3.08Å; K222-G224 VanDerWaalsContact C-N 3.34Å
223V97.5Very high95.9Very high62 Ų6247.6 Ų47.638%0.37625%0.248SC..THydrogen-bonded Turntrans-93.211.2175.3-60.50000113.4P219 L220 N221 L225P219-V223 PolarHBondContact O-N 3.36Å; L220-V223 WeakPolarHBondContact O-CG2 3.49Å; N221-V223 PolarHBondContact O-N 3.46Å; V223-L225 HydrophobicContact CG2-CB 4.49Å; V223-L225 HydrophobicContact CG2-CD1 3.65Å; V223-L225 HydrophobicContact CG2-CG 3.84Å
224G96.5Very high95.1Very high31 Ų3149.2 Ų49.232%0.3226%0.257SS..THydrogen-bonded Turntrans72.727173.400000115N221 K222 K230N221-G224 WeakPolarHBondContact O-CA 3.3Å; N221-G224 PolarHBondContact O-N 3.12Å; K222-G224 VanDerWaalsContact C-N 3.34Å; G224-K230 WeakPolarHBondContact O-CE 3.37Å; G224-K230 PolarHBondContact O-NZ 3.49Å
225L98Very high93.5Very high4 Ų452.7 Ų52.72%0.02128%0.276CS..  trans-93.5-9.4-178.6-67.4172.7000114.4Q11 K14 L15 L164 R165 L220 V223 E227Q11-L225 HydrophobicContact CB-CD2 3.73Å; Q11-L225 HydrophobicContact CG-CD2 3.73Å; K14-L225 HydrophobicContact CB-CD1 4.44Å; L15-L225 HydrophobicContact CB-CD1 3.75Å; L15-L225 HydrophobicContact CG-CD1 4.38Å; L164-L225 HydrophobicContact CD2-CB 4.44Å; R165-L225 PolarHBondContact NH2-O 3.32Å; L220-L225 HydrophobicContact CD2-CD1 4.29Å; L220-L225 WeakPolarHBondContact O-CB 3.44Å; L220-L225 PolarHBondContact O-N 2.7Å; V223-L225 HydrophobicContact CG2-CB 4.49Å; V223-L225 HydrophobicContact CG2-CD1 3.65Å; V223-L225 HydrophobicContact CG2-CG 3.84Å; L225-E227 PolarHBondContact O-N 3.15Å
226C97.9Very high91.5Very high11 Ų1159.8 Ų59.87%0.07430%0.304CS..  trans-89.995.1-177.7-168.30000112L164 N221 S228 Y229 K230L164-C226 HydrophobicContact CD2-CB 4.01Å; N221-C226 HydrophobicContact CB-CB 4.32Å; C226-S228 VanDerWaalsContact C-N 3.35Å; C226-S228 PolarHBondContact O-N 3.42Å; C226-S228 PolarHBondContact SG-OG 3.21Å; C226-Y229 PolarHBondContact O-N 3.18Å; C226-K230 PolarHBondContact O-N 3.14Å; C226-K230 VanDerWaalsContact O-N 3.11Å
227E96.1Very high89.3Confident28 Ų2861 Ų6113%0.13131%0.312CS..Hα-helixtrans-66.1-35-178.4-59.8-52.3144.800112.6I4 L164 R165 Q166 L225 Y229 K230 Q231I4-E227 HydrophobicContact CD1-CB 4.02Å; I4-E227 HydrophobicContact CD1-CG 4.27Å; I4-E227 HydrophobicContact CG1-CB 3.94Å; I4-E227 HydrophobicContact CG1-CG 3.75Å; L164-E227 WeakPolarHBondContact O-CB 3.29Å; L164-E227 VanDerWaalsContact O-CG 3.25Å; L164-E227 WeakPolarHBondContact O-CG 3.46Å; L164-E227 PolarHBondContact O-N 3.22Å; R165-E227 IonicContact CZ-OE1 3.31Å; R165-E227 IonicContact NH1-OE1 3.06Å; R165-E227 IonicContact NH2-OE1 2.7Å; R165-E227 PolarHBondContact NH2-OE1 2.97Å; Q166-E227 HydrophobicContact CG-CB 3.99Å; Q166-E227 VanDerWaalsContact NE2-C 3.33Å; Q166-E227 PolarHBondContact NE2-O 3.32Å; L225-E227 PolarHBondContact O-N 3.15Å; E227-Y229 VanDerWaalsContact C-N 3.31Å; E227-Y229 PolarHBondContact O-N 3Å; E227-K230 PolarHBondContact O-N 3.33Å; E227-K230 IonicContact OE1-NZ 3.31Å; E227-K230 PolarHBondContact OE1-NZ 3.39Å; E227-K230 WeakPolarHBondContact OE2-CD 3.32Å; E227-K230 IonicContact OE2-NZ 3.51Å; E227-K230 PolarHBondContact OE2-NZ 3.45Å; E227-K230 VanDerWaalsContact OE2-NZ 3.16Å; E227-Q231 WeakPolarHBondContact O-CB 2.96Å; E227-Q231 PolarHBondContact O-N 3.24Å
228S95.5Very high87Confident1 Ų159.9 Ų59.91%0.00731%0.312CS..Hα-helixtrans-65.6-34.4175610000112.6R163 C226 A232 V262R163-S228 WeakPolarHBondContact CA-OG 3.27Å; R163-S228 WeakPolarHBondContact O-CB 3.35Å; R163-S228 PolarHBondContact O-N 3.43Å; R163-S228 VanDerWaalsContact O-N 3.15Å; R163-S228 PolarHBondContact O-OG 2.85Å; C226-S228 VanDerWaalsContact C-N 3.35Å; C226-S228 PolarHBondContact O-N 3.42Å; C226-S228 PolarHBondContact SG-OG 3.21Å; S228-A232 WeakPolarHBondContact O-CB 3.26Å; S228-A232 PolarHBondContact O-N 3.42Å; S228-V262 WeakPolarHBondContact OG-CG1 3.26Å
229Y96Very high84.6Confident64 Ų6464.5 Ų64.525%0.25133%0.329SS..Hα-helixtrans-70.1-42.2176.8-177.8-93.7000111.1C215 N221 C226 E227 A232 N233 V262C215-Y229 HydrophobicContact CB-CD2 3.42Å; C215-Y229 VanDerWaalsContact CB-CD2 3.42Å; C215-Y229 HydrophobicContact CB-CE2 3.44Å; C215-Y229 VanDerWaalsContact CB-CE2 3.44Å; C215-Y229 HydrophobicContact CB-CG 4.42Å; N221-Y229 WeakPolarHBondContact ND2-CD1 3.45Å; N221-Y229 VanDerWaalsContact ND2-CE1 3.31Å; N221-Y229 WeakPolarHBondContact ND2-CE1 3.32Å; N221-Y229 WeakPolarHBondContact OD1-CD1 3.36Å; C226-Y229 PolarHBondContact O-N 3.18Å; E227-Y229 VanDerWaalsContact C-N 3.31Å; E227-Y229 PolarHBondContact O-N 3Å; Y229-A232 PolarHBondContact O-N 3.24Å; Y229-N233 VanDerWaalsContact CE1-ND2 3.34Å; Y229-N233 WeakPolarHBondContact CE1-ND2 3.46Å; Y229-N233 WeakPolarHBondContact CE2-ND2 3.44Å; Y229-N233 PolarHBondContact O-N 3.28Å; Y229-N233 PolarHBondContact O-ND2 3.07Å; Y229-V262 HydrophobicContact CD2-CG1 4.35Å
230K93.8Very high82.3Confident82 Ų8270.8 Ų70.836%0.35736%0.361SS..Hα-helixtrans-55.5-55.6173.4-67179.1-162.6161.40110G224 C226 E227 A232 N233 V234G224-K230 WeakPolarHBondContact O-CE 3.37Å; G224-K230 PolarHBondContact O-NZ 3.49Å; C226-K230 PolarHBondContact O-N 3.14Å; C226-K230 VanDerWaalsContact O-N 3.11Å; E227-K230 PolarHBondContact O-N 3.33Å; E227-K230 IonicContact OE1-NZ 3.31Å; E227-K230 PolarHBondContact OE1-NZ 3.39Å; E227-K230 WeakPolarHBondContact OE2-CD 3.32Å; E227-K230 IonicContact OE2-NZ 3.51Å; E227-K230 PolarHBondContact OE2-NZ 3.45Å; E227-K230 VanDerWaalsContact OE2-NZ 3.16Å; K230-A232 VanDerWaalsContact C-N 3.29Å; K230-A232 PolarHBondContact O-N 3.44Å; K230-N233 CarbonylContact O-C 3.56Å; K230-N233 PolarHBondContact O-N 2.83Å; K230-V234 VanDerWaalsContact O-CG2 3.25Å; K230-V234 WeakPolarHBondContact O-CG2 3.47Å; K230-V234 PolarHBondContact O-N 3Å; K230-V234 VanDerWaalsContact O-N 3.12Å
231Q89.9Confident80.1Confident30 Ų3072.9 Ų72.914%0.1438%0.375CS..Hα-helixtrans-53.9-42.1179.5-178.8-173.635.400113Q166 E227 N233 V234 Y239Q166-Q231 VanDerWaalsContact NE2-CB 3.3Å; Q166-Q231 VanDerWaalsContact NE2-OE1 3.15Å; E227-Q231 WeakPolarHBondContact O-CB 2.96Å; E227-Q231 PolarHBondContact O-N 3.24Å; Q231-N233 PolarHBondContact O-N 3.14Å; Q231-V234 PolarHBondContact O-N 3.12Å; Q231-Y239 HydrophobicContact CG-CE2 4.45Å
232A89.2Confident77.9Confident29 Ų2974.7 Ų74.724%0.2439%0.387CS..Hα-helixtrans-65.7-24.8179.200000113.6S228 Y229 K230S228-A232 WeakPolarHBondContact O-CB 3.26Å; S228-A232 PolarHBondContact O-N 3.42Å; Y229-A232 PolarHBondContact O-N 3.24Å; K230-A232 VanDerWaalsContact C-N 3.29Å; K230-A232 PolarHBondContact O-N 3.44Å
233N87.8Confident75.8Confident100 Ų10070.7 Ų70.754%0.53537%0.373SS..Hα-helixtrans-1052.6-177.6-69.5-79.3000113.8Y229 K230 Q231Y229-N233 VanDerWaalsContact CE1-ND2 3.34Å; Y229-N233 WeakPolarHBondContact CE1-ND2 3.46Å; Y229-N233 WeakPolarHBondContact CE2-ND2 3.44Å; Y229-N233 PolarHBondContact O-N 3.28Å; Y229-N233 PolarHBondContact O-ND2 3.07Å; K230-N233 CarbonylContact O-C 3.56Å; K230-N233 PolarHBondContact O-N 2.83Å; Q231-N233 PolarHBondContact O-N 3.14Å
234V81.3Confident74.2Confident57 Ų5773 Ų7335%0.34538%0.383SS..SBendtrans-76.8139172.1-178.60000110.2K230 Q231 D238K230-V234 VanDerWaalsContact O-CG2 3.25Å; K230-V234 WeakPolarHBondContact O-CG2 3.47Å; K230-V234 PolarHBondContact O-N 3Å; K230-V234 VanDerWaalsContact O-N 3.12Å; Q231-V234 PolarHBondContact O-N 3.12Å; V234-D238 HydrophobicContact CG1-CB 3.45Å; V234-D238 VanDerWaalsContact CG1-CB 3.45Å
235N63.4Low72.6Confident130 Ų13081 Ų8170%0.69541%0.411SS*.  trans-60.1149.5174.4-83.6-29000111.2N237 D238N235-N237 PolarHBondContact O-N 3.32Å; N235-D238 PolarHBondContact O-N 3.17Å; N235-D238 VanDerWaalsContact O-N 3.1Å
236K55.7Low71.7Confident170 Ų17088.1 Ų88.174%0.73945%0.45SS*.G310 helixtrans-49.1-30.4-173.9-96.4-176.3173.3178.40114.4
237N48.9Very low71.3Confident156 Ų15688.3 Ų88.383%0.83445%0.451SS*.G310 helixtrans-86.4-15.3-172.4-65.8-5.3000114.3N235N235-N237 PolarHBondContact O-N 3.32Å
238D49.2Very low71Confident111 Ų11197.8 Ų97.859%0.59449%0.486SS*.G310 helixtrans-102.515.4-177.9-62.1-34.3000112.1V234 N235 I240V234-D238 HydrophobicContact CG1-CB 3.45Å; V234-D238 VanDerWaalsContact CG1-CB 3.45Å; N235-D238 PolarHBondContact O-N 3.17Å; N235-D238 VanDerWaalsContact O-N 3.1Å; D238-I240 PolarHBondContact O-N 2.93Å
239Y48Very low70.9Confident109 Ų10998.1 Ų98.143%0.42749%0.487SS..  trans-6994.3175.6-179.4-99.6000109.9Q231 S241Q231-Y239 HydrophobicContact CG-CE2 4.45Å; Y239-S241 WeakPolarHBondContact CE1-OG 3.13Å; Y239-S241 PolarHBondContact O-N 2.87Å; Y239-S241 PolarHBondContact OH-OG 3.43Å
240I50.9Low70.8Confident141 Ų14196.3 Ų96.372%0.72348%0.484SS*.  trans-81.296.6162.7-58.7172.2000105.7D238 T242D238-I240 PolarHBondContact O-N 2.93Å; I240-T242 VanDerWaalsContact C-N 3.33Å; I240-T242 HydrophobicContact CG2-CG2 4.13Å; I240-T242 PolarHBondContact O-N 3.31Å
241S51.7Low70.7Confident43 Ų4393 Ų9330%0.30147%0.469SS..  trans-58.5106.3159.5-142.80000105.6Y239 D243Y239-S241 WeakPolarHBondContact CE1-OG 3.13Å; Y239-S241 PolarHBondContact O-N 2.87Å; Y239-S241 PolarHBondContact OH-OG 3.43Å; S241-D243 PolarHBondContact O-N 3.13Å; S241-D243 VanDerWaalsContact OG-CG 3.23Å; S241-D243 PolarHBondContact OG-OD2 3.21Å
242T51.9Low70.5Confident61 Ų6194.3 Ų94.337%0.37448%0.482SS..  trans-76.742160.158.10000109.2C2 I240 L244 C250C2-T242 PolarHBondContact SG-O 3.49Å; I240-T242 VanDerWaalsContact C-N 3.33Å; I240-T242 HydrophobicContact CG2-CG2 4.13Å; I240-T242 PolarHBondContact O-N 3.31Å; T242-L244 PolarHBondContact O-N 3.16Å; T242-C250 PolarHBondContact O-SG 3.11Å
243D52.9Low70.3Confident65 Ų6597 Ų9735%0.34850%0.5SS..  trans-68.673158.1-82.2-31.6000106.1S241 E245S241-D243 PolarHBondContact O-N 3.13Å; S241-D243 VanDerWaalsContact OG-CG 3.23Å; S241-D243 PolarHBondContact OG-OD2 3.21Å; D243-E245 VanDerWaalsContact C-N 3.33Å; D243-E245 PolarHBondContact O-N 3.03Å; D243-E245 VanDerWaalsContact O-N 3.12Å
244L63Low70.2Confident111 Ų11197.2 Ų97.258%0.58151%0.509SS*.  trans-58.2111.6145.3-80.2158.6000103.9T242 D246 C247T242-L244 PolarHBondContact O-N 3.16Å; L244-D246 PolarHBondContact O-N 3.44Å; L244-C247 HydrophobicContact CB-CB 4.42Å; L244-C247 PolarHBondContact O-N 3.11Å
245E63.6Low70.5Confident197 Ų19798 Ų9892%0.92151%0.513SS*.THydrogen-bonded Turntrans-49.4-23.9-170.9-68-174.3154.700112.9D243D243-E245 VanDerWaalsContact C-N 3.33Å; D243-E245 PolarHBondContact O-N 3.03Å; D243-E245 VanDerWaalsContact O-N 3.12Å
246D78.9Confident71.8Confident154 Ų15493.7 Ų93.782%0.82449%0.488SS*.THydrogen-bonded Turntrans-96.43.2-179-64-40.1000116L244 R248L244-D246 PolarHBondContact O-N 3.44Å; D246-R248 PolarHBondContact O-N 3.09Å; D246-R248 VanDerWaalsContact O-N 3.11Å
247C88.7Confident73.5Confident16 Ų1690.7 Ų90.711%0.10848%0.476CS..  trans-80.3101.2-177.5-164.90000112.9C2 H5 L244 L249 C250C2-C247 WeakPolarHBondContact SG-CB 3.44Å; H5-C247 PolarHBondContact NE2-SG 3.32Å; L244-C247 HydrophobicContact CB-CB 4.42Å; L244-C247 PolarHBondContact O-N 3.11Å; C247-L249 PolarHBondContact O-N 3.43Å; C247-C250 HydrophobicContact CB-CB 4.33Å; C247-C250 PolarHBondContact O-N 3.31Å
248R90.4Very high75.3Confident226 Ų22688.5 Ų88.585%0.85346%0.459SS*.THydrogen-bonded Turntrans-63.8-5.6176.9-56-176.7-174.8-176.70.5116S169 D246S169-R248 WeakPolarHBondContact CB-O 3.37Å; S169-R248 PolarHBondContact OG-O 2.88Å; D246-R248 PolarHBondContact O-N 3.09Å; D246-R248 VanDerWaalsContact O-N 3.11Å
249L94.2Very high77.4Confident9 Ų988.2 Ų88.25%0.04747%0.466CS..THydrogen-bonded Turntrans-103.2-19179.2-66.7-179.8000113.1M1 H5 I167 G168 S169 Y179 C247M1-L249 HydrophobicContact CE-CD1 4.03Å; M1-L249 HydrophobicContact CE-CG 4.47Å; M1-L249 HydrophobicContact SD-CD1 3.91Å; H5-L249 HydrophobicContact CB-CD1 4.12Å; H5-L249 VanDerWaalsContact CD2-CB 3.5Å; H5-L249 WeakPolarHBondContact CD2-CB 3.31Å; I167-L249 HydrophobicContact CG2-CD2 4.31Å; G168-L249 CarbonylContact C-O 3.59Å; G168-L249 WeakPolarHBondContact CA-O 3.27Å; G168-L249 PolarHBondContact N-O 2.97Å; S169-L249 PolarHBondContact N-O 2.93Å; S169-L249 VanDerWaalsContact N-O 3.13Å; Y179-L249 HydrophobicContact CD1-CD1 4.11Å; Y179-L249 HydrophobicContact CD2-CD1 3.93Å; Y179-L249 HydrophobicContact CE1-CD1 3.86Å; Y179-L249 HydrophobicContact CE2-CD1 3.66Å; Y179-L249 HydrophobicContact CG-CD1 4.14Å; Y179-L249 HydrophobicContact CG-CD2 4.5Å; C247-L249 PolarHBondContact O-N 3.43Å
250C92.7Very high79.6Confident25 Ų2586 Ų8617%0.16946%0.462CS..SBendtrans-66.4147.9176.4-74.30000110.7H5 T242 C247H5-C250 PolarHBondContact NE2-SG 3.17Å; T242-C250 PolarHBondContact O-SG 3.11Å; C247-C250 HydrophobicContact CB-CB 4.33Å; C247-C250 PolarHBondContact O-N 3.31Å
251I91.4Very high81.6Confident12 Ų1279.9 Ų79.96%0.06243%0.433CS..PPolyproline II helixtrans-72.8134.7167.4-169.6166.1000108.2V255 Y256 N264 Y265 V267I251-V255 HydrophobicContact CD1-CG1 4.15Å; I251-V255 HydrophobicContact CG1-CB 4.13Å; I251-V255 HydrophobicContact CG1-CG1 4.19Å; I251-Y256 HydrophobicContact CD1-CD2 4.24Å; I251-Y256 HydrophobicContact CG2-CD2 3.98Å; I251-Y256 HydrophobicContact CG2-CG 4.49Å; I251-N264 HydrophobicContact CD1-CB 4.15Å; I251-Y265 HydrophobicContact CB-CE1 4.27Å; I251-Y265 HydrophobicContact CG2-CE1 4.35Å; I251-Y265 WeakPolarHBondContact CG2-OH 3.42Å; I251-V267 HydrophobicContact CD1-CG2 3.56Å; I251-V267 HydrophobicContact CG1-CG2 3.97Å
252S86.8Confident83.7Confident58 Ų5878.5 Ų78.541%0.40642%0.422SS..PPolyproline II helixtrans-65.7140.2173.8175.60000110.3S254 V255 Y256S252-S254 PolarHBondContact O-N 3.34Å; S252-S254 VanDerWaalsContact O-N 3.15Å; S252-S254 PolarHBondContact OG-N 3.36Å; S252-S254 PolarHBondContact OG-OG 2.92Å; S252-V255 PolarHBondContact O-N 2.86Å; S252-Y256 PolarHBondContact O-N 3.32Å
253S84.5Confident85.9Confident87 Ų8778.5 Ų78.561%0.60842%0.419SS*.THydrogen-bonded Turntrans-52.4-31.7171.258.10000113.3V255S253-V255 VanDerWaalsContact C-N 3.28Å; S253-V255 PolarHBondContact O-N 3.06Å
254S86Confident87.9Confident104 Ų10475.9 Ų75.973%0.72741%0.405SS*.THydrogen-bonded Turntrans-69-22.5175.767.20000114.2S252S252-S254 PolarHBondContact O-N 3.34Å; S252-S254 VanDerWaalsContact O-N 3.15Å; S252-S254 PolarHBondContact OG-N 3.36Å; S252-S254 PolarHBondContact OG-OG 2.92Å
255V88.7Confident89.6Confident72 Ų7270.8 Ų70.844%0.43638%0.378SS..THydrogen-bonded Turntrans-98.9-32.1-178.5179.80000111.4I251 S252 S253 Q257I251-V255 HydrophobicContact CD1-CG1 4.15Å; I251-V255 HydrophobicContact CG1-CB 4.13Å; I251-V255 HydrophobicContact CG1-CG1 4.19Å; S252-V255 PolarHBondContact O-N 2.86Å; S253-V255 VanDerWaalsContact C-N 3.28Å; S253-V255 PolarHBondContact O-N 3.06Å; V255-Q257 PolarHBondContact O-N 3.44Å
256Y90.2Very high91.2Very high40 Ų4062.5 Ų62.516%0.15734%0.342CS..  trans-68.3130-176.7-177.5-93.1000112.5I251 S252 K258 N264I251-Y256 HydrophobicContact CD1-CD2 4.24Å; I251-Y256 HydrophobicContact CG2-CD2 3.98Å; I251-Y256 HydrophobicContact CG2-CG 4.49Å; S252-Y256 PolarHBondContact O-N 3.32Å; Y256-K258 HydrophobicContact CE1-CB 4.28Å; Y256-N264 HydrophobicContact CD2-CB 4.05Å; Y256-N264 HydrophobicContact CE2-CB 4.16Å; Y256-N264 VanDerWaalsContact CE2-ND2 3.32Å; Y256-N264 WeakPolarHBondContact CE2-ND2 3.38Å
257Q91.3Very high92Very high107 Ų10756.1 Ų56.150%0.531%0.308SS..  trans-119.6115.6176-62.4-179.615.900110.4V255 S259 L260 N264V255-Q257 PolarHBondContact O-N 3.44Å; Q257-S259 PolarHBondContact O-N 3.39Å; Q257-S259 VanDerWaalsContact O-N 3.16Å; Q257-L260 HydrophobicContact CB-CD1 3.98Å; Q257-L260 HydrophobicContact CB-CG 4Å; Q257-L260 HydrophobicContact CG-CD1 4.46Å; Q257-L260 PolarHBondContact O-N 2.98Å; Q257-N264 PolarHBondContact N-OD1 2.83Å; Q257-N264 PolarHBondContact O-ND2 2.89Å; Q257-N264 PolarHBondContact O-OD1 2.85Å
258K87.3Confident92.3Very high110 Ų11061.8 Ų61.848%0.47833%0.331SS..G310 helixtrans-56.6-36.1-177-174.6168.1-176.5162.30113.2Y256 L260 G261Y256-K258 HydrophobicContact CE1-CB 4.28Å; K258-L260 PolarHBondContact O-N 3.13Å; K258-G261 PolarHBondContact O-N 2.99Å
259S91.5Very high92.3Very high106 Ų10655 Ų5574%0.74131%0.311SS*.G310 helixtrans-62.4-24.917953.40000114Q257Q257-S259 PolarHBondContact O-N 3.39Å; Q257-S259 VanDerWaalsContact O-N 3.16Å
260L94Very high92Very high63 Ų6362.5 Ų62.533%0.3335%0.351SS..G310 helixtrans-82.8-19.4179.7-63-177.9000112.7Q257 K258 V262 M263Q257-L260 HydrophobicContact CB-CD1 3.98Å; Q257-L260 HydrophobicContact CB-CG 4Å; Q257-L260 HydrophobicContact CG-CD1 4.46Å; Q257-L260 PolarHBondContact O-N 2.98Å; K258-L260 PolarHBondContact O-N 3.13Å; L260-V262 PolarHBondContact O-N 3.29Å; L260-M263 HydrophobicContact CB-CB 4.2Å; L260-M263 HydrophobicContact CD2-CE 3.99Å; L260-M263 WeakPolarHBondContact O-CA 3.31Å; L260-M263 WeakPolarHBondContact O-CB 3.47Å; L260-M263 WeakPolarHBondContact O-CG 3.44Å; L260-M263 PolarHBondContact O-N 3.39Å
261G93.8Very high91.4Very high12 Ų1270.2 Ų70.212%0.12438%0.382CS..G310 helixtrans51.2-124.5-177.100000112.3K258 M263 N264K258-G261 PolarHBondContact O-N 2.99Å; G261-M263 PolarHBondContact O-N 3.34Å; G261-M263 VanDerWaalsContact O-N 3.14Å; G261-N264 PolarHBondContact O-N 3.42Å; G261-N264 PolarHBondContact O-ND2 3.28Å
262V96.5Very high91Very high13 Ų1381 Ų818%0.07942%0.422CS..G310 helixtrans-62.3-19.4176.5-55.20000113.7R163 P213 S228 Y229 L260 N264 Y265R163-V262 HydrophobicContact CG-CB 4.45Å; R163-V262 WeakPolarHBondContact CG-O 3.17Å; R163-V262 PolarHBondContact NE-O 2.95Å; R163-V262 VanDerWaalsContact NE-O 3.13Å; P213-V262 HydrophobicContact CG-CG2 3.44Å; P213-V262 VanDerWaalsContact CG-CG2 3.44Å; S228-V262 WeakPolarHBondContact OG-CG1 3.26Å; Y229-V262 HydrophobicContact CD2-CG1 4.35Å; L260-V262 PolarHBondContact O-N 3.29Å; V262-N264 PolarHBondContact O-N 3.12Å; V262-Y265 PolarHBondContact O-N 3.42Å
263M97.1Very high90.9Very high61 Ų6187 Ų8730%0.344%0.443SS..G310 helixtrans-76.2-4-179.6-52.1-174-56.500113.3L260 G261 Y265L260-M263 HydrophobicContact CB-CB 4.2Å; L260-M263 HydrophobicContact CD2-CE 3.99Å; L260-M263 WeakPolarHBondContact O-CA 3.31Å; L260-M263 WeakPolarHBondContact O-CB 3.47Å; L260-M263 WeakPolarHBondContact O-CG 3.44Å; L260-M263 PolarHBondContact O-N 3.39Å; G261-M263 PolarHBondContact O-N 3.34Å; G261-M263 VanDerWaalsContact O-N 3.14Å; M263-Y265 PolarHBondContact O-N 2.98Å
264N96Very high90.9Very high11 Ų1185 Ų856%0.05943%0.428CS..G310 helixtrans-60-21.1164.1-75.2-70.7000112.5I251 Y256 Q257 G261 V262I251-N264 HydrophobicContact CD1-CB 4.15Å; Y256-N264 HydrophobicContact CD2-CB 4.05Å; Y256-N264 HydrophobicContact CE2-CB 4.16Å; Y256-N264 VanDerWaalsContact CE2-ND2 3.32Å; Y256-N264 WeakPolarHBondContact CE2-ND2 3.38Å; Q257-N264 PolarHBondContact N-OD1 2.83Å; Q257-N264 PolarHBondContact O-ND2 2.89Å; Q257-N264 PolarHBondContact O-OD1 2.85Å; G261-N264 PolarHBondContact O-N 3.42Å; G261-N264 PolarHBondContact O-ND2 3.28Å; V262-N264 PolarHBondContact O-N 3.12Å
265Y97.7Very high91.1Very high3 Ų386.3 Ų86.31%0.01242%0.417CS..  trans-115.4140.8-178.3-54.2-85.1000111.7R163 Q166 I167 I251 V262 M263R163-Y265 PolarHBondContact NE-O 2.91Å; Q166-Y265 VanDerWaalsContact C-CE1 3.5Å; Q166-Y265 HydrophobicContact CB-CE1 4.23Å; Q166-Y265 HydrophobicContact CB-CE2 4.47Å; Q166-Y265 WeakPolarHBondContact CB-OH 3.39Å; Q166-Y265 HydrophobicContact CG-CE2 4.23Å; I167-Y265 WeakPolarHBondContact O-CD1 3.47Å; I251-Y265 HydrophobicContact CB-CE1 4.27Å; I251-Y265 HydrophobicContact CG2-CE1 4.35Å; I251-Y265 WeakPolarHBondContact CG2-OH 3.42Å; V262-Y265 PolarHBondContact O-N 3.42Å; M263-Y265 PolarHBondContact O-N 2.98Å
266P97.7Very high91.1Very high24 Ų2490.7 Ų90.716%0.15643%0.43CS..SBendcis-77.7147.3-2.132.1-35.8000112.2I158 R159 T162 V171I158-P266 HydrophobicContact CG2-CB 4.36Å; R159-P266 HydrophobicContact CB-CG 4.41Å; T162-P266 HydrophobicContact CG2-CB 4.11Å; V171-P266 HydrophobicContact CG1-CB 3.66Å; V171-P266 HydrophobicContact CG2-CB 4.34Å
267V96.3Very high91Very high19 Ų1989.4 Ų89.412%0.11543%0.426CS..  trans-71.4133.1168.1177.90000108.9G168 P170 V171 I251G168-V267 VanDerWaalsContact O-CB 3.28Å; G168-V267 WeakPolarHBondContact O-CB 3.44Å; G168-V267 VanDerWaalsContact O-CG2 3.22Å; G168-V267 WeakPolarHBondContact O-CG2 3.37Å; P170-V267 WeakPolarHBondContact CA-O 3.22Å; P170-V267 HydrophobicContact CB-CG1 4.41Å; P170-V267 HydrophobicContact CG-CG1 4.08Å; V171-V267 PolarHBondContact N-O 3.15Å; V171-V267 VanDerWaalsContact N-O 3.1Å; I251-V267 HydrophobicContact CD1-CG2 3.56Å; I251-V267 HydrophobicContact CG1-CG2 3.97Å
268K94Very high90.8Very high136 Ų13686.1 Ų86.159%0.59141%0.412SS*.  trans-127.4135.5180-70.7-178.1-177.6178.10109.9V171 Q172V171-K268 HydrophobicContact CG2-CG 4.03Å; Q172-K268 VanDerWaalsContact OE1-CA 3.29Å
269L91.3Very high90.9Very high84 Ų8481 Ų8144%0.4439%0.39SS..PPolyproline II helixtrans-61147.8164.7-59.3-179.6000110.8P170 Q172 L173 K271P170-L269 HydrophobicContact CB-CD2 3.71Å; P170-L269 HydrophobicContact CB-CG 3.77Å; P170-L269 HydrophobicContact CG-CD2 3.77Å; P170-L269 HydrophobicContact CG-CG 4.4Å; Q172-L269 HydrophobicContact CB-CD1 4.11Å; Q172-L269 HydrophobicContact CB-CG 4.42Å; Q172-L269 VanDerWaalsContact CD-N 3.31Å; Q172-L269 PolarHBondContact NE2-O 3.38Å; Q172-L269 VanDerWaalsContact NE2-O 3.12Å; L173-L269 HydrophobicContact CD2-CD1 4.4Å; L269-K271 PolarHBondContact O-N 3.34Å
270N86.3Confident90.8Very high165 Ų16576 Ų7688%0.88236%0.355SS*.PPolyproline II helixtrans-58.6135.9174.3-70-24.3000110.4
271K81.4Confident90.7Very high188 Ų18873 Ų7382%0.81734%0.339SS*.PPolyproline II helixtrans-81.5142.3174.8-69.5-175.2177.8-175.70109.3L269L269-K271 PolarHBondContact O-N 3.34Å
272R83.4Confident90.5Very high239 Ų23972.5 Ų72.590%0.90233%0.333SS*.PPolyproline II helixtrans-65.5145.8167.4-65.2-177-178.1179.3-0.5109.5
273E83.4Confident90.3Very high183 Ų18371.9 Ų71.986%0.85533%0.329SS*.PPolyproline II helixtrans-63.9139.8174.2-67.9-166.6158.200110.7
274P85.9Confident89.8Confident44 Ų4469 Ų6929%0.28632%0.315SS..PPolyproline II helixtrans-60.1139.7171.4-24.236.2000111
275R89Confident89.5Confident132 Ų13269.1 Ų69.150%0.49832%0.316SS..EExtended strand (participates in β ladder)trans-67.4146.1173.766.3178.1-176.2147.55.5110.5Q277 H372 I373 H374R275-Q277 VanDerWaalsContact NH2-OE1 3.16Å; R275-H372 PolarHBondContact N-O 2.88Å; R275-I373 HydrophobicContact CG-CB 4.47Å; R275-I373 HydrophobicContact CG-CG1 3.97Å; R275-I373 HydrophobicContact CG-CG2 4.45Å; R275-I373 VanDerWaalsContact NH2-CD1 3.31Å; R275-I373 CarbonylContact O-C 3.59Å; R275-I373 VanDerWaalsContact O-CA 3.32Å; R275-I373 WeakPolarHBondContact O-CA 3.46Å; R275-H374 PolarHBondContact O-N 2.65Å
276K88.7Confident89Confident164 Ų16469.2 Ų69.271%0.71332%0.316SS*.EExtended strand (participates in β ladder)trans-91145.7171.8-63179.5-176.9176.30108.8H374K276-H374 CarbonylContact C-O 3.52Å; K276-H374 WeakPolarHBondContact CA-O 3.47Å; K276-H374 HydrophobicContact CG-CB 4.49Å
277Q88.1Confident88.4Confident14 Ų1470 Ų707%0.06532%0.323CS..EExtended strand (participates in β ladder)trans-149.9136.5-178.1-173.7179.1-32.700110R275 T319 I373 H374 M375 T376R275-Q277 VanDerWaalsContact NH2-OE1 3.16Å; Q277-T319 HydrophobicContact CG-CG2 3.82Å; Q277-T319 PolarHBondContact NE2-OG1 3.45Å; Q277-I373 HydrophobicContact CB-CG2 3.81Å; Q277-H374 PolarHBondContact N-O 2.85Å; Q277-M375 CarbonylContact O-C 3.59Å; Q277-M375 VanDerWaalsContact O-CA 3.26Å; Q277-M375 WeakPolarHBondContact O-CA 3.35Å; Q277-T376 PolarHBondContact O-N 2.82Å
278N88.1Confident87.7Confident38 Ų3873 Ų7320%0.20333%0.332CS..EExtended strand (participates in β ladder)trans-103.8138.6174.9-69.4-14.4000110.2I320 T376 I378N278-I320 HydrophobicContact CB-CB 4.4Å; N278-I320 HydrophobicContact CB-CD1 4.02Å; N278-I320 HydrophobicContact CB-CG1 4.48Å; N278-I320 PolarHBondContact O-N 3.14Å; N278-T376 CarbonylContact C-O 3.58Å; N278-T376 WeakPolarHBondContact CA-O 3.33Å; N278-T376 WeakPolarHBondContact OD1-CB 3.43Å; N278-I378 HydrophobicContact CB-CD1 4.5Å
279T89.6Confident87.1Confident2 Ų274.8 Ų74.81%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-133.6121.3176.8-65.80000109.5Y318 T319 T376 Y377 I378T279-Y318 CarbonylContact C-O 3.53Å; T279-Y318 WeakPolarHBondContact CA-O 3.37Å; T279-T319 PolarHBondContact OG1-OG1 2.92Å; T279-T376 PolarHBondContact N-O 3.4Å; T279-Y377 HydrophobicContact CG2-CD1 4.03Å; T279-Y377 HydrophobicContact CG2-CE1 4Å; T279-Y377 CarbonylContact O-C 3.55Å; T279-Y377 VanDerWaalsContact O-CA 3.23Å; T279-Y377 WeakPolarHBondContact O-CA 3.27Å; T279-I378 PolarHBondContact O-N 3.01Å
280V89.1Confident86.6Confident1 Ų173 Ų731%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-79.1133.9171.7-178.30000107.9S317 Y318 I320 V338 I342 I378 F380V280-S317 CarbonylContact O-C 3.5Å; V280-S317 WeakPolarHBondContact O-CA 3.33Å; V280-S317 WeakPolarHBondContact O-CB 3.28Å; V280-Y318 PolarHBondContact N-O 2.73Å; V280-Y318 PolarHBondContact O-N 3.36Å; V280-I320 HydrophobicContact CG2-CD1 4.15Å; V280-I320 HydrophobicContact CG2-CG1 4.47Å; V280-V338 HydrophobicContact CB-CG1 3.66Å; V280-V338 HydrophobicContact CG1-CG1 3.99Å; V280-V338 HydrophobicContact CG2-CB 4.33Å; V280-V338 HydrophobicContact CG2-CG1 3.76Å; V280-I342 HydrophobicContact CB-CD1 4.49Å; V280-I342 HydrophobicContact CG1-CD1 4.19Å; V280-I378 WeakPolarHBondContact CA-O 3.44Å; V280-I378 HydrophobicContact CG2-CD1 4.43Å; V280-F380 HydrophobicContact CG1-CD2 3.79Å; V280-F380 HydrophobicContact CG1-CE2 3.94Å
281I90.7Very high86.4Confident0 Ų072.7 Ų72.70%033%0.327CS..EExtended strand (participates in β ladder)trans-130.1133179.2-167.2155.6000109.8F315 Y377 I378 V379 F380 V438I281-F315 HydrophobicContact CD1-CB 3.98Å; I281-F315 HydrophobicContact CD1-CD2 4.22Å; I281-F315 HydrophobicContact CG1-CB 3.76Å; I281-Y377 HydrophobicContact CB-CD1 4.3Å; I281-Y377 HydrophobicContact CD1-CD1 4.07Å; I281-Y377 HydrophobicContact CD1-CE1 4.28Å; I281-Y377 HydrophobicContact CG2-CD1 4.29Å; I281-I378 PolarHBondContact N-O 3Å; I281-V379 HydrophobicContact CG2-CB 4.12Å; I281-V379 HydrophobicContact CG2-CG1 4.22Å; I281-V379 HydrophobicContact CG2-CG2 3.78Å; I281-F380 PolarHBondContact O-N 3.16Å; I281-V438 HydrophobicContact CD1-CG1 4.05Å; I281-V438 HydrophobicContact CD1-CG2 4.45Å; I281-V438 HydrophobicContact CG1-CG1 4.42Å; I281-V438 HydrophobicContact CG2-CG1 3.82Å; I281-V438 HydrophobicContact CG2-CG2 4.45Å
282L89.4Confident86.3Confident1 Ų172.9 Ų72.91%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-113.9110.9-178.1-17265.7000109.4T284 P316 I342 L346 V360 F380 L382L282-T284 PolarHBondContact O-N 3.34Å; L282-T284 VanDerWaalsContact O-N 3.14Å; L282-P316 PolarHBondContact N-O 2.97Å; L282-P316 WeakPolarHBondContact O-CD 3.49Å; L282-I342 HydrophobicContact CB-CG2 4.07Å; L282-I342 HydrophobicContact CD2-CG2 3.82Å; L282-L346 HydrophobicContact CD2-CD1 4.19Å; L282-V360 HydrophobicContact CD1-CG1 3.97Å; L282-F380 HydrophobicContact CD1-CB 3.57Å; L282-L382 HydrophobicContact CD1-CB 3.81Å; L282-L382 HydrophobicContact CD2-CB 4.11Å; L282-L382 HydrophobicContact CD2-CD2 3.96Å; L282-L382 HydrophobicContact CG-CB 3.97Å
283I92.1Very high86.3Confident0 Ų064 Ų640%031%0.309CS..EExtended strand (participates in β ladder)trans-82.893.4174.2-60.3172.6000107.4Y298 F315 V379 F380 L382 V438 F442I283-Y298 HydrophobicContact CG2-CD1 4.1Å; I283-Y298 HydrophobicContact CG2-CE1 4.35Å; I283-F315 HydrophobicContact CG1-CD1 4.44Å; I283-F315 HydrophobicContact CG1-CD2 4.12Å; I283-F315 HydrophobicContact CG1-CE2 4.46Å; I283-F315 HydrophobicContact CG1-CG 4.13Å; I283-F315 HydrophobicContact CG2-CD1 4.44Å; I283-F315 HydrophobicContact CG2-CE1 4.33Å; I283-V379 HydrophobicContact CD1-CG1 3.69Å; I283-V379 HydrophobicContact CG1-CG1 4.3Å; I283-F380 PolarHBondContact N-O 2.62Å; I283-L382 PolarHBondContact O-N 2.79Å; I283-V438 HydrophobicContact CD1-CG1 3.91Å; I283-V438 HydrophobicContact CG1-CG1 4.34Å; I283-F442 HydrophobicContact CB-CD2 4.43Å; I283-F442 HydrophobicContact CD1-CB 3.22Å; I283-F442 HydrophobicContact CD1-CD1 4.16Å; I283-F442 HydrophobicContact CD1-CD2 3.91Å; I283-F442 HydrophobicContact CD1-CG 3.49Å; I283-F442 VanDerWaalsContact CD1-CG 3.49Å; I283-F442 HydrophobicContact CG2-CD1 4.07Å; I283-F442 HydrophobicContact CG2-CD2 4.24Å; I283-F442 HydrophobicContact CG2-CE1 4.08Å; I283-F442 HydrophobicContact CG2-CE2 4.24Å; I283-F442 HydrophobicContact CG2-CG 4.16Å; I283-F442 HydrophobicContact CG2-CZ 4.17Å
284T87.8Confident86.4Confident0 Ų059.8 Ų59.80%029%0.292CS..EExtended strand (participates in β ladder)trans-85.1120.1175.5-51.20000109.7L282 Y298 L299 L346 L350 L382 V384 W420L282-T284 PolarHBondContact O-N 3.34Å; L282-T284 VanDerWaalsContact O-N 3.14Å; T284-Y298 WeakPolarHBondContact O-CA 3.49Å; T284-L299 HydrophobicContact CG2-CB 4.43Å; T284-L299 PolarHBondContact O-N 3.23Å; T284-L346 HydrophobicContact CG2-CD1 4.44Å; T284-L346 WeakPolarHBondContact OG1-CD1 3.39Å; T284-L350 HydrophobicContact CG2-CD1 4.1Å; T284-L382 CarbonylContact C-O 3.52Å; T284-L382 VanDerWaalsContact CA-O 3.32Å; T284-L382 WeakPolarHBondContact CA-O 3.19Å; T284-L382 HydrophobicContact CG2-CD2 4.05Å; T284-L382 HydrophobicContact CG2-CG 4.23Å; T284-V384 HydrophobicContact CG2-CG2 3.64Å; T284-W420 HydrophobicContact CG2-CH2 4.03Å
285H89.7Confident86.5Confident15 Ų1561 Ų617%0.06929%0.292CS..EExtended strand (participates in β ladder)trans-139.8155.9-178.273.295.9000113.1Y297 Y298 E381 L382 K383 V384 F442H285-Y297 CarbonylContact C-O 3.6Å; H285-Y297 WeakPolarHBondContact CA-O 3.44Å; H285-Y297 WeakPolarHBondContact CB-O 3.44Å; H285-Y298 HydrophobicContact CB-CD1 3.48Å; H285-Y298 VanDerWaalsContact CB-CD1 3.48Å; H285-Y298 HydrophobicContact CB-CE1 3.51Å; H285-Y298 HydrophobicContact CB-CG 4.39Å; H285-E381 IonicContact CD2-OE1 3.82Å; H285-E381 IonicContact CE1-OE1 3.76Å; H285-E381 PolarHBondContact CE1-OE1 2.82Å; H285-E381 WeakPolarHBondContact NE2-CG 3.48Å; H285-E381 IonicContact NE2-OE1 2.96Å; H285-E381 PolarHBondContact NE2-OE1 2.98Å; H285-L382 PolarHBondContact N-O 3.41Å; H285-K383 WeakPolarHBondContact O-CA 3.24Å; H285-V384 PolarHBondContact O-N 2.86Å; H285-F442 AromaticContact CD2-CZ 3.7Å; H285-F442 AromaticContact NE2-CZ 3.67Å
286T86.3Confident86.6Confident4 Ų458 Ų583%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-139.2162.9172.7-167.40000110H296 Y297 V384 W420T286-H296 WeakPolarHBondContact O-CA 3.46Å; T286-Y297 PolarHBondContact N-O 3.01Å; T286-Y297 PolarHBondContact O-N 3.21Å; T286-V384 WeakPolarHBondContact CB-O 3.49Å; T286-V384 PolarHBondContact OG1-O 2.91Å; T286-W420 HydrophobicContact CG2-CE3 4.23Å; T286-W420 HydrophobicContact CG2-CH2 4.13Å; T286-W420 HydrophobicContact CG2-CZ3 3.8Å
287S86.6Confident86.7Confident42 Ų4251.3 Ų51.329%0.29426%0.255SS..EExtended strand (participates in β ladder)trans-131.1128.9178.260.80000110.2K295S287-K295 CarbonylContact C-O 3.57Å; S287-K295 VanDerWaalsContact CA-O 3.22Å; S287-K295 WeakPolarHBondContact CA-O 3.44Å
288R80.4Confident86.9Confident81 Ų8151.2 Ų51.231%0.30625%0.254SS..EExtended strand (participates in β ladder)trans-128.6146.9176.263.1178.5-172.9-162.94110.8E290 K295 Y297R288-E290 HydrophobicContact CG-CG 4.19Å; R288-E290 IonicContact CZ-OE1 3.84Å; R288-E290 IonicContact NE-OE1 3.66Å; R288-E290 PolarHBondContact NE-OE1 3.18Å; R288-E290 IonicContact NH2-OE1 3.47Å; R288-E290 PolarHBondContact NH2-OE1 3.24Å; R288-K295 PolarHBondContact N-O 3.28Å; R288-K295 PolarHBondContact O-N 3.2Å; R288-Y297 HydrophobicContact CG-CD2 3.93Å; R288-Y297 HydrophobicContact CG-CE2 3.47Å; R288-Y297 VanDerWaalsContact CG-CE2 3.47Å; R288-Y297 PolarHBondContact NE-OH 3.33Å; R288-Y297 PolarHBondContact NH2-OH 3.39Å
289K82.1Confident86.9Confident173 Ų17349.6 Ų49.675%0.75225%0.245SC*.EExtended strand (participates in β ladder)trans-78.3124.1170-76.3-174177-176.70109.1A293 L294K289-A293 CarbonylContact C-O 3.25Å; K289-A293 WeakPolarHBondContact CA-O 3.41Å; K289-L294 HydrophobicContact CG-CD1 4.25Å
290E79.9Confident86.9Confident46 Ų4649.5 Ų49.522%0.21524%0.244CC..EExtended strand (participates in β ladder)trans-127.2126.7169.9-66.5-168.6170.500109R288 E292 A293 K295 Y297R288-E290 HydrophobicContact CG-CG 4.19Å; R288-E290 IonicContact CZ-OE1 3.84Å; R288-E290 IonicContact NE-OE1 3.66Å; R288-E290 PolarHBondContact NE-OE1 3.18Å; R288-E290 IonicContact NH2-OE1 3.47Å; R288-E290 PolarHBondContact NH2-OE1 3.24Å; E290-E292 PolarHBondContact O-N 3.38Å; E290-A293 PolarHBondContact N-O 3.38Å; E290-A293 PolarHBondContact O-N 2.94Å; E290-K295 HydrophobicContact CB-CD 4.29Å; E290-K295 HydrophobicContact CG-CD 4.4Å; E290-K295 VanDerWaalsContact OE2-CD 3.28Å; E290-K295 WeakPolarHBondContact OE2-CD 3.49Å; E290-K295 WeakPolarHBondContact OE2-CE 3.49Å; E290-K295 IonicContact OE2-NZ 2.73Å; E290-K295 PolarHBondContact OE2-NZ 3Å; E290-Y297 PolarHBondContact OE1-OH 2.94Å; E290-Y297 PolarHBondContact OE2-OH 3.2Å
291N82Confident86.8Confident159 Ų15950 Ų5085%0.8525%0.247SC*.THydrogen-bonded Turntrans47.348.2180-57.5-22.7000111.9A293N291-A293 PolarHBondContact O-N 2.84Å
292E79.7Confident86.6Confident192 Ų19251.4 Ų51.490%0.89725%0.253SS*.THydrogen-bonded Turntrans67.6-10.2-177.6-51.6-176.7160.200116.6E290E290-E292 PolarHBondContact O-N 3.38Å
293A83.5Confident86.6Confident52 Ų5253.6 Ų53.643%0.4326%0.262SS..EExtended strand (participates in β ladder)trans-90.8135.5175.500000111.6K289 E290 N291 K295K289-A293 CarbonylContact C-O 3.25Å; K289-A293 WeakPolarHBondContact CA-O 3.41Å; E290-A293 PolarHBondContact N-O 3.38Å; E290-A293 PolarHBondContact O-N 2.94Å; N291-A293 PolarHBondContact O-N 2.84Å; A293-K295 PolarHBondContact O-N 3.49Å
294L85.6Confident86.2Confident96 Ų9655.1 Ų55.150%0.50327%0.271SS..EExtended strand (participates in β ladder)trans-76.6115.7169.5-172.771000108.9K289K289-L294 HydrophobicContact CG-CD1 4.25Å
295K88.1Confident86Confident68 Ų6862.2 Ų62.230%0.29630%0.302SS..EExtended strand (participates in β ladder)trans-106.7143.6175.3-70.6-166.1-171.5169.10111.3S287 R288 E290 A293 Y297S287-K295 CarbonylContact C-O 3.57Å; S287-K295 VanDerWaalsContact CA-O 3.22Å; S287-K295 WeakPolarHBondContact CA-O 3.44Å; R288-K295 PolarHBondContact N-O 3.28Å; R288-K295 PolarHBondContact O-N 3.2Å; E290-K295 HydrophobicContact CB-CD 4.29Å; E290-K295 HydrophobicContact CG-CD 4.4Å; E290-K295 VanDerWaalsContact OE2-CD 3.28Å; E290-K295 WeakPolarHBondContact OE2-CD 3.49Å; E290-K295 WeakPolarHBondContact OE2-CE 3.49Å; E290-K295 IonicContact OE2-NZ 2.73Å; E290-K295 PolarHBondContact OE2-NZ 3Å; A293-K295 PolarHBondContact O-N 3.49Å; K295-Y297 HydrophobicContact CB-CE2 3.66Å
296H91.1Very high85.7Confident71 Ų7166.7 Ų66.733%0.32933%0.331SS..EExtended strand (participates in β ladder)trans-104.5136.1177.7-65.5-84.6000110.5T286 Y298 S422 R423T286-H296 WeakPolarHBondContact O-CA 3.46Å; H296-Y298 HydrophobicContact CB-CE2 4.03Å; H296-S422 CarbonylContact O-C 3.55Å; H296-S422 WeakPolarHBondContact O-CA 3.44Å; H296-R423 PolarHBondContact O-N 2.83Å
297Y90.2Very high85.7Confident23 Ų2369.6 Ų69.69%0.0936%0.362CS..EExtended strand (participates in β ladder)trans-123143.2178.4-66.1-93.3000110.1H285 T286 R288 E290 K295 V421H285-Y297 CarbonylContact C-O 3.6Å; H285-Y297 WeakPolarHBondContact CA-O 3.44Å; H285-Y297 WeakPolarHBondContact CB-O 3.44Å; T286-Y297 PolarHBondContact N-O 3.01Å; T286-Y297 PolarHBondContact O-N 3.21Å; R288-Y297 HydrophobicContact CG-CD2 3.93Å; R288-Y297 HydrophobicContact CG-CE2 3.47Å; R288-Y297 VanDerWaalsContact CG-CE2 3.47Å; R288-Y297 PolarHBondContact NE-OH 3.33Å; R288-Y297 PolarHBondContact NH2-OH 3.39Å; E290-Y297 PolarHBondContact OE1-OH 2.94Å; E290-Y297 PolarHBondContact OE2-OH 3.2Å; K295-Y297 HydrophobicContact CB-CE2 3.66Å; Y297-V421 CarbonylContact C-O 3.28Å; Y297-V421 VanDerWaalsContact CA-O 3.25Å; Y297-V421 WeakPolarHBondContact CA-O 3.49Å
298Y92.1Very high85.7Confident12 Ų1270 Ų705%0.04736%0.361CS..EExtended strand (participates in β ladder)trans-126.5137.2-177.9-59.1-84.7000110.3I283 T284 H285 H296 F315 W420 V421 R423 L426 F439 F442I283-Y298 HydrophobicContact CG2-CD1 4.1Å; I283-Y298 HydrophobicContact CG2-CE1 4.35Å; T284-Y298 WeakPolarHBondContact O-CA 3.49Å; H285-Y298 HydrophobicContact CB-CD1 3.48Å; H285-Y298 VanDerWaalsContact CB-CD1 3.48Å; H285-Y298 HydrophobicContact CB-CE1 3.51Å; H285-Y298 HydrophobicContact CB-CG 4.39Å; H296-Y298 HydrophobicContact CB-CE2 4.03Å; Y298-F315 HydrophobicContact CD1-CE1 4.46Å; Y298-W420 CarbonylContact O-C 3.54Å; Y298-W420 WeakPolarHBondContact O-CA 3.03Å; Y298-V421 PolarHBondContact N-O 2.77Å; Y298-V421 PolarHBondContact O-N 3.06Å; Y298-R423 HydrophobicContact CE2-CB 3.97Å; Y298-L426 HydrophobicContact CD2-CD2 4.27Å; Y298-F439 AromaticContact CD1-CE2 3.79Å; Y298-F439 HydrophobicContact CD1-CE2 3.79Å; Y298-F439 HydrophobicContact CD2-CE2 4.38Å; Y298-F439 HydrophobicContact CD2-CZ 4.42Å; Y298-F439 AromaticContact CE1-CE2 3.48Å; Y298-F439 HydrophobicContact CE1-CE2 3.48Å; Y298-F439 VanDerWaalsContact CE1-CE2 3.48Å; Y298-F439 AromaticContact CE1-CZ 3.98Å; Y298-F439 HydrophobicContact CE1-CZ 3.98Å; Y298-F439 HydrophobicContact CE2-CE2 4.08Å; Y298-F439 AromaticContact CE2-CZ 3.85Å; Y298-F439 HydrophobicContact CE2-CZ 3.85Å; Y298-F439 HydrophobicContact CG-CE2 4.24Å; Y298-F439 AromaticContact CZ-CE2 3.62Å; Y298-F439 AromaticContact CZ-CZ 3.6Å; Y298-F442 AromaticContact CE1-CE1 3.84Å; Y298-F442 HydrophobicContact CE1-CE1 3.84Å; Y298-F442 HydrophobicContact CE1-CZ 4.44Å
299L88.6Confident86Confident3 Ų367.2 Ų67.22%0.01635%0.351CS..EExtended strand (participates in β ladder)trans-81129.2174.1-177.170.3000110.3T284 L301 P316 L346 L350 W420T284-L299 HydrophobicContact CG2-CB 4.43Å; T284-L299 PolarHBondContact O-N 3.23Å; L299-L301 HydrophobicContact CD2-CD2 4.3Å; L299-L301 HydrophobicContact CG-CD2 4.34Å; L299-P316 HydrophobicContact CD2-CG 3.97Å; L299-P316 HydrophobicContact CG-CG 4.49Å; L299-L346 HydrophobicContact CD2-CD1 4.27Å; L299-L346 HydrophobicContact CD2-CD2 3.23Å; L299-L346 HydrophobicContact CD2-CG 4.32Å; L299-L350 HydrophobicContact CD2-CD1 4.08Å; L299-W420 HydrophobicContact CB-CD2 4.33Å; L299-W420 HydrophobicContact CB-CE3 4.24Å; L299-W420 HydrophobicContact CB-CH2 4.32Å; L299-W420 HydrophobicContact CB-CZ2 4.39Å; L299-W420 HydrophobicContact CB-CZ3 4.23Å; L299-W420 HydrophobicContact CD1-CD2 4.4Å; L299-W420 HydrophobicContact CD1-CG 4.49Å
300L89.5Confident86.2Confident0 Ų059.7 Ų59.70%032%0.321CS..EExtended strand (participates in β ladder)trans-120.2145.3168.6-60.8178.7000110.3W313 E314 F315 G418 R419 V421 L426 I431L300-W313 HydrophobicContact CB-CB 4.28Å; L300-W313 HydrophobicContact CB-CE3 3.88Å; L300-W313 HydrophobicContact CD1-CB 4.02Å; L300-E314 CarbonylContact C-O 3.55Å; L300-E314 WeakPolarHBondContact CA-O 3.48Å; L300-F315 HydrophobicContact CD2-CD1 3.73Å; L300-F315 HydrophobicContact CD2-CE1 3.71Å; L300-F315 HydrophobicContact CD2-CG 4.31Å; L300-F315 HydrophobicContact CD2-CZ 4.28Å; L300-G418 CarbonylContact O-C 3.52Å; L300-G418 WeakPolarHBondContact O-CA 3.33Å; L300-R419 PolarHBondContact N-O 2.96Å; L300-R419 PolarHBondContact O-N 2.97Å; L300-V421 HydrophobicContact CD1-CB 4.49Å; L300-V421 HydrophobicContact CD1-CG1 4.01Å; L300-V421 HydrophobicContact CD1-CG2 3.62Å; L300-V421 HydrophobicContact CG-CG2 3.91Å; L300-L426 HydrophobicContact CD1-CD1 3.76Å; L300-L426 HydrophobicContact CD2-CD1 3.98Å; L300-L426 HydrophobicContact CG-CD1 4.25Å; L300-I431 HydrophobicContact CD1-CG2 4.12Å
301L87.3Confident86.5Confident12 Ų1257.8 Ų57.86%0.06332%0.315CS..EExtended strand (participates in β ladder)trans-116.1143171.3-50.9179.2000109.5L299 W313 E314 P316 L346 L415L299-L301 HydrophobicContact CD2-CD2 4.3Å; L299-L301 HydrophobicContact CG-CD2 4.34Å; L301-W313 WeakPolarHBondContact O-CA 3.15Å; L301-E314 PolarHBondContact N-O 3.2Å; L301-E314 PolarHBondContact O-N 3.24Å; L301-P316 HydrophobicContact CD1-CB 4.03Å; L301-P316 HydrophobicContact CD1-CG 3.95Å; L301-P316 HydrophobicContact CG-CG 4.14Å; L301-L346 HydrophobicContact CD1-CD2 4.46Å; L301-L415 HydrophobicContact CB-CD2 3.43Å; L301-L415 VanDerWaalsContact CB-CD2 3.43Å; L301-L415 HydrophobicContact CD1-CD1 4.25Å; L301-L415 HydrophobicContact CD1-CD2 3.82Å; L301-L415 HydrophobicContact CD1-CG 4.49Å; L301-L415 HydrophobicContact CG-CD2 4.25Å
302Q86.9Confident86.8Confident29 Ų2950.3 Ų50.314%0.13627%0.274CS..EExtended strand (participates in β ladder)trans-82.9128.8176.2-159.2178.946.600110.5G311 W313 N416 S417Q302-G311 WeakPolarHBondContact CG-O 3.4Å; Q302-G311 PolarHBondContact NE2-O 2.85Å; Q302-W313 HydrophobicContact CB-CD2 4.19Å; Q302-W313 HydrophobicContact CB-CE3 3.99Å; Q302-W313 HydrophobicContact CB-CH2 4.01Å; Q302-W313 HydrophobicContact CB-CZ2 4.21Å; Q302-W313 HydrophobicContact CB-CZ3 3.9Å; Q302-W313 HydrophobicContact CG-CD2 4.35Å; Q302-W313 HydrophobicContact CG-CZ2 4.33Å; Q302-N416 VanDerWaalsContact CB-O 3.31Å; Q302-N416 WeakPolarHBondContact CB-O 3.37Å; Q302-S417 PolarHBondContact N-O 3.01Å
303R88.3Confident87.3Confident48 Ų4841.8 Ų41.818%0.18123%0.234CC..PPolyproline II helixtrans-65.3154.4174.6-67.2-17467.778.17.2111.1L308 L309 G311 L312 E314R303-L308 PolarHBondContact NE-O 3Å; R303-L308 PolarHBondContact NH2-O 3.26Å; R303-L309 WeakPolarHBondContact CD-O 3.46Å; R303-G311 PolarHBondContact O-N 2.73Å; R303-L312 WeakPolarHBondContact CB-O 3.49Å; R303-L312 WeakPolarHBondContact CG-O 3.45Å; R303-L312 PolarHBondContact N-O 2.97Å; R303-E314 VanDerWaalsContact CD-OE2 3.27Å; R303-E314 WeakPolarHBondContact CD-OE2 3.38Å; R303-E314 VanDerWaalsContact CG-CD 3.48Å; R303-E314 HydrophobicContact CG-CG 3.78Å; R303-E314 IonicContact CZ-OE1 2.76Å; R303-E314 IonicContact CZ-OE2 2.78Å; R303-E314 IonicContact NE-OE2 3.79Å; R303-E314 IonicContact NH1-OE1 2.8Å; R303-E314 PolarHBondContact NH1-OE1 3.27Å; R303-E314 IonicContact NH1-OE2 3.83Å; R303-E314 PolarHBondContact NH1-OE2 3.19Å
304P85.2Confident87.8Confident31 Ų3139.8 Ų39.820%0.20122%0.216CC..PPolyproline II helixtrans-50.4153.6175.7-28.134.9000113.4T306 A310 G311P304-T306 PolarHBondContact O-N 3.33Å; P304-A310 CarbonylContact O-C 3.56Å; P304-A310 WeakPolarHBondContact O-CA 3.47Å; P304-A310 WeakPolarHBondContact O-CB 3.41Å; P304-G311 PolarHBondContact O-N 2.81Å
305K82.2Confident88.1Confident150 Ų15035.2 Ų35.265%0.65219%0.192SC*.SBendtrans-68.6-3.9179.7-64.3-176.6-178.5177.10113.4R102R102-K305 PolarHBondContact NH1-O 2.87Å
306T83.4Confident88.1Confident108 Ų10832.1 Ų32.166%0.66318%0.179SC*.SBendtrans-134.1162.4178.257.40000110.7P304P304-T306 PolarHBondContact O-N 3.33Å
307G86.3Confident88Confident66 Ų6629.6 Ų29.668%0.6817%0.169SC*.SBendtrans85.9-159.6179.200000115.3L309 A310G307-L309 PolarHBondContact O-N 2.77Å; G307-A310 WeakPolarHBondContact O-CB 3.47Å; G307-A310 PolarHBondContact O-N 3.18Å
308L86.5Confident87.7Confident51 Ų5130.1 Ų30.127%0.26717%0.171SC..THydrogen-bonded Turntrans-65.5126.8-175.5-178.864.4000110.6R303 A310 F370 I373 M375R303-L308 PolarHBondContact NE-O 3Å; R303-L308 PolarHBondContact NH2-O 3.26Å; L308-A310 PolarHBondContact O-N 2.91Å; L308-F370 HydrophobicContact CD1-CD1 4.42Å; L308-F370 HydrophobicContact CD1-CE1 4.36Å; L308-I373 HydrophobicContact CD2-CD1 4.14Å; L308-M375 HydrophobicContact CD2-CE 3.78Å
309L87.7Confident87.4Confident21 Ų2132.1 Ų32.111%0.1119%0.185CC..THydrogen-bonded Turntrans55.934.7180-58.6172.8000113.2Y98 R303 G307 G311 L312 F370Y98-L309 HydrophobicContact CD2-CD2 4.13Å; Y98-L309 HydrophobicContact CE2-CD2 4.21Å; R303-L309 WeakPolarHBondContact CD-O 3.46Å; G307-L309 PolarHBondContact O-N 2.77Å; L309-G311 PolarHBondContact O-N 3.07Å; L309-L312 HydrophobicContact CB-CD1 4.07Å; L309-L312 HydrophobicContact CD2-CD1 3.94Å; L309-L312 WeakPolarHBondContact O-CB 3.39Å; L309-L312 PolarHBondContact O-N 3.03Å; L309-L312 VanDerWaalsContact O-N 3.16Å; L309-F370 HydrophobicContact CD1-CE1 4.33Å; L309-F370 HydrophobicContact CD1-CZ 4.18Å; L309-F370 HydrophobicContact CD2-CE1 4.35Å
310A86.5Confident87.1Confident15 Ų1532.3 Ų32.312%0.12419%0.186CC..THydrogen-bonded Turntrans-51.2128.6-174.600000114.1P304 G307 L308 L312P304-A310 CarbonylContact O-C 3.56Å; P304-A310 WeakPolarHBondContact O-CA 3.47Å; P304-A310 WeakPolarHBondContact O-CB 3.41Å; G307-A310 WeakPolarHBondContact O-CB 3.47Å; G307-A310 PolarHBondContact O-N 3.18Å; L308-A310 PolarHBondContact O-N 2.91Å; A310-L312 PolarHBondContact O-N 3.25Å
311G85.2Confident86.1Confident7 Ų737.4 Ų37.47%0.07221%0.209CC..THydrogen-bonded Turntrans75.2-1.4178.100000115.9Q302 R303 P304 L309Q302-G311 WeakPolarHBondContact CG-O 3.4Å; Q302-G311 PolarHBondContact NE2-O 2.85Å; R303-G311 PolarHBondContact O-N 2.73Å; P304-G311 PolarHBondContact O-N 2.81Å; L309-G311 PolarHBondContact O-N 3.07Å
312L89.1Confident84.9Confident1 Ų140.4 Ų40.41%0.00523%0.225CC..  trans-76.7157.3173.3-62-171.3000111.5N89 Y98 R303 L309 A310 A430N89-L312 HydrophobicContact CB-CD2 4.19Å; Y98-L312 HydrophobicContact CD1-CD1 4.04Å; Y98-L312 HydrophobicContact CD1-CD2 3.62Å; Y98-L312 HydrophobicContact CD1-CG 4.32Å; Y98-L312 HydrophobicContact CD2-CD1 3.59Å; Y98-L312 HydrophobicContact CD2-CG 4.45Å; Y98-L312 HydrophobicContact CE1-CD1 3.93Å; Y98-L312 HydrophobicContact CE1-CD2 3.82Å; Y98-L312 HydrophobicContact CE2-CD1 3.5Å; Y98-L312 VanDerWaalsContact CE2-CD1 3.5Å; Y98-L312 HydrophobicContact CG-CD1 3.85Å; Y98-L312 HydrophobicContact CG-CD2 4.02Å; Y98-L312 HydrophobicContact CG-CG 4.26Å; R303-L312 WeakPolarHBondContact CB-O 3.49Å; R303-L312 WeakPolarHBondContact CG-O 3.45Å; R303-L312 PolarHBondContact N-O 2.97Å; L309-L312 HydrophobicContact CB-CD1 4.07Å; L309-L312 HydrophobicContact CD2-CD1 3.94Å; L309-L312 WeakPolarHBondContact O-CB 3.39Å; L309-L312 PolarHBondContact O-N 3.03Å; L309-L312 VanDerWaalsContact O-N 3.16Å; A310-L312 PolarHBondContact O-N 3.25Å; L312-A430 WeakPolarHBondContact CA-O 3.27Å; L312-A430 WeakPolarHBondContact CB-O 3.39Å; L312-A430 HydrophobicContact CD2-CB 4.22Å; L312-A430 WeakPolarHBondContact CD2-O 3.17Å
313W90.9Very high83.2Confident13 Ų1346.1 Ų46.15%0.04926%0.257CS..EExtended strand (participates in β ladder)trans-85.7144.8172.3-63.288.8000110.5L300 L301 Q302 S417 R419 A430 I431L300-W313 HydrophobicContact CB-CB 4.28Å; L300-W313 HydrophobicContact CB-CE3 3.88Å; L300-W313 HydrophobicContact CD1-CB 4.02Å; L301-W313 WeakPolarHBondContact O-CA 3.15Å; Q302-W313 HydrophobicContact CB-CD2 4.19Å; Q302-W313 HydrophobicContact CB-CE3 3.99Å; Q302-W313 HydrophobicContact CB-CH2 4.01Å; Q302-W313 HydrophobicContact CB-CZ2 4.21Å; Q302-W313 HydrophobicContact CB-CZ3 3.9Å; Q302-W313 HydrophobicContact CG-CD2 4.35Å; Q302-W313 HydrophobicContact CG-CZ2 4.33Å; W313-S417 VanDerWaalsContact CZ3-O 3.3Å; W313-S417 WeakPolarHBondContact CZ3-O 3.48Å; W313-R419 HydrophobicContact CE3-CG 4.01Å; W313-R419 HydrophobicContact CH2-CB 4.41Å; W313-R419 HydrophobicContact CH2-CG 3.94Å; W313-R419 HydrophobicContact CZ3-CB 4.22Å; W313-R419 HydrophobicContact CZ3-CG 3.58Å; W313-A430 PolarHBondContact N-O 3.07Å; W313-I431 HydrophobicContact CB-CG2 3.9Å; W313-I431 WeakPolarHBondContact O-CA 3.38Å; W313-I431 WeakPolarHBondContact O-CG2 3.35Å
314E92.3Very high81.6Confident11 Ų1148 Ų485%0.05127%0.266CS..EExtended strand (participates in β ladder)trans-149.5163.5173.764.1177.7-169.400111.7L300 L301 R303 S317 T435L300-E314 CarbonylContact C-O 3.55Å; L300-E314 WeakPolarHBondContact CA-O 3.48Å; L301-E314 PolarHBondContact N-O 3.2Å; L301-E314 PolarHBondContact O-N 3.24Å; R303-E314 VanDerWaalsContact CD-OE2 3.27Å; R303-E314 WeakPolarHBondContact CD-OE2 3.38Å; R303-E314 VanDerWaalsContact CG-CD 3.48Å; R303-E314 HydrophobicContact CG-CG 3.78Å; R303-E314 IonicContact CZ-OE1 2.76Å; R303-E314 IonicContact CZ-OE2 2.78Å; R303-E314 IonicContact NE-OE2 3.79Å; R303-E314 IonicContact NH1-OE1 2.8Å; R303-E314 PolarHBondContact NH1-OE1 3.27Å; R303-E314 IonicContact NH1-OE2 3.83Å; R303-E314 PolarHBondContact NH1-OE2 3.19Å; E314-S317 PolarHBondContact OE1-OG 2.9Å; E314-T435 HydrophobicContact CB-CG2 4.49Å
315F92.1Very high80Confident0 Ų050.4 Ų50.40%028%0.278CS..  trans-66.9150.6166.5-56.3-69.5000109.8I281 I283 Y298 L300 S317 L426 T435 V438 F439I281-F315 HydrophobicContact CD1-CB 3.98Å; I281-F315 HydrophobicContact CD1-CD2 4.22Å; I281-F315 HydrophobicContact CG1-CB 3.76Å; I283-F315 HydrophobicContact CG1-CD1 4.44Å; I283-F315 HydrophobicContact CG1-CD2 4.12Å; I283-F315 HydrophobicContact CG1-CE2 4.46Å; I283-F315 HydrophobicContact CG1-CG 4.13Å; I283-F315 HydrophobicContact CG2-CD1 4.44Å; I283-F315 HydrophobicContact CG2-CE1 4.33Å; Y298-F315 HydrophobicContact CD1-CE1 4.46Å; L300-F315 HydrophobicContact CD2-CD1 3.73Å; L300-F315 HydrophobicContact CD2-CE1 3.71Å; L300-F315 HydrophobicContact CD2-CG 4.31Å; L300-F315 HydrophobicContact CD2-CZ 4.28Å; F315-S317 PolarHBondContact O-N 3.36Å; F315-L426 HydrophobicContact CZ-CD1 4.26Å; F315-L426 HydrophobicContact CZ-CD2 4.16Å; F315-T435 HydrophobicContact CD2-CG2 3.73Å; F315-T435 HydrophobicContact CE2-CG2 3.65Å; F315-V438 HydrophobicContact CD2-CG1 4.4Å; F315-F439 HydrophobicContact CE1-CD2 4.26Å; F315-F439 HydrophobicContact CE2-CB 3.89Å; F315-F439 AromaticContact CE2-CD2 3.98Å; F315-F439 HydrophobicContact CE2-CD2 3.98Å; F315-F439 HydrophobicContact CE2-CG 4.32Å; F315-F439 HydrophobicContact CZ-CB 4.06Å; F315-F439 AromaticContact CZ-CD2 3.38Å; F315-F439 HydrophobicContact CZ-CD2 3.38Å; F315-F439 HydrophobicContact CZ-CE2 4.16Å; F315-F439 AromaticContact CZ-CG 3.98Å; F315-F439 HydrophobicContact CZ-CG 3.98Å
316P88.8Confident78.1Confident3 Ų348.7 Ų48.72%0.01928%0.28CS..SBendtrans-44.9124.1174.2-27.432.2000111.8L282 L299 L301 I342 L346L282-P316 PolarHBondContact N-O 2.97Å; L282-P316 WeakPolarHBondContact O-CD 3.49Å; L299-P316 HydrophobicContact CD2-CG 3.97Å; L299-P316 HydrophobicContact CG-CG 4.49Å; L301-P316 HydrophobicContact CD1-CB 4.03Å; L301-P316 HydrophobicContact CD1-CG 3.95Å; L301-P316 HydrophobicContact CG-CG 4.14Å; P316-I342 HydrophobicContact CB-CG2 3.67Å; P316-L346 HydrophobicContact CB-CD1 4.38Å; P316-L346 HydrophobicContact CB-CD2 4.35Å; P316-L346 HydrophobicContact CG-CD1 4.13Å; P316-L346 HydrophobicContact CG-CD2 3.89Å; P316-L346 HydrophobicContact CG-CG 4.49Å
317S88.2Confident76.2Confident18 Ų1848.8 Ų48.813%0.12629%0.285CS..EExtended strand (participates in β ladder)trans-143.6156.1-173.5820000113.1V280 E314 F315V280-S317 CarbonylContact O-C 3.5Å; V280-S317 WeakPolarHBondContact O-CA 3.33Å; V280-S317 WeakPolarHBondContact O-CB 3.28Å; E314-S317 PolarHBondContact OE1-OG 2.9Å; F315-S317 PolarHBondContact O-N 3.36Å
318Y85.2Confident74.1Confident33 Ų3351 Ų5113%0.12928%0.277CS..EExtended strand (participates in β ladder)trans-139.8123.3175.1-177-99.3000110.8T279 V280 V338T279-Y318 CarbonylContact C-O 3.53Å; T279-Y318 WeakPolarHBondContact CA-O 3.37Å; V280-Y318 PolarHBondContact N-O 2.73Å; V280-Y318 PolarHBondContact O-N 3.36Å; Y318-V338 HydrophobicContact CD1-CB 4.35Å; Y318-V338 HydrophobicContact CD1-CG1 3.52Å; Y318-V338 HydrophobicContact CD1-CG2 3.87Å; Y318-V338 HydrophobicContact CE1-CG1 4.5Å; Y318-V338 HydrophobicContact CE1-CG2 4.11Å; Y318-V338 HydrophobicContact CG-CG1 3.86Å
319T85.7Confident72.1Confident54 Ų5451.1 Ų51.133%0.33128%0.278SS..EExtended strand (participates in β ladder)trans-80.9129.6174-750000110.4Q277 T279Q277-T319 HydrophobicContact CG-CG2 3.82Å; Q277-T319 PolarHBondContact NE2-OG1 3.45Å; T279-T319 PolarHBondContact OG1-OG1 2.92Å
320I81.1Confident70.1Confident7 Ų759.9 Ų59.94%0.03632%0.318CS..EExtended strand (participates in β ladder)trans-81.5127.2171.7-52.9175.8000108.4N278 V280 K324 I329N278-I320 HydrophobicContact CB-CB 4.4Å; N278-I320 HydrophobicContact CB-CD1 4.02Å; N278-I320 HydrophobicContact CB-CG1 4.48Å; N278-I320 PolarHBondContact O-N 3.14Å; V280-I320 HydrophobicContact CG2-CD1 4.15Å; V280-I320 HydrophobicContact CG2-CG1 4.47Å; I320-K324 HydrophobicContact CG2-CB 4.46Å; I320-I329 HydrophobicContact CD1-CD1 4.46Å; I320-I329 HydrophobicContact CG2-CD1 4.15Å
321E69.6Low68.1Low107 Ų10761.8 Ų61.850%0.533%0.331SS..PPolyproline II helixtrans-74.5139.6177-66.2173151.200111.6N323 K324E321-N323 PolarHBondContact O-N 3.36Å; E321-N323 VanDerWaalsContact O-N 3.09Å; E321-K324 PolarHBondContact O-N 2.88Å; E321-K324 IonicContact OE2-NZ 2.82Å; E321-K324 PolarHBondContact OE2-NZ 3.46Å
322D61.1Low66.6Low75 Ų7566.9 Ų66.940%0.40137%0.365SS..G310 helixtrans-54.3-34.3-172.8-67-29.8000113.5K324 L325D322-K324 PolarHBondContact O-N 3.46Å; D322-L325 WeakPolarHBondContact O-CB 3.48Å; D322-L325 PolarHBondContact O-N 3.08Å
323N52.9Low65.3Low150 Ų15069.8 Ų69.880%0.80239%0.386SS*.G310 helixtrans-70.9-11.5-179.1-62.2-2.8000113.8E321E321-N323 PolarHBondContact O-N 3.36Å; E321-N323 VanDerWaalsContact O-N 3.09Å
324K52.8Low63.8Low86 Ų8670.3 Ų70.337%0.37439%0.389SS..G310 helixtrans-96.7-2.8176.9-64.2175.6178.1143.80112.4I320 E321 D322I320-K324 HydrophobicContact CG2-CB 4.46Å; E321-K324 PolarHBondContact O-N 2.88Å; E321-K324 IonicContact OE2-NZ 2.82Å; E321-K324 PolarHBondContact OE2-NZ 3.46Å; D322-K324 PolarHBondContact O-N 3.46Å
325L52.1Low62.6Low83 Ų8372.1 Ų72.144%0.43540%0.399SS..Hα-helixtrans-81.2-28.3-178.9-147.393.1000112.5D322 S327 I329D322-L325 WeakPolarHBondContact O-CB 3.48Å; D322-L325 PolarHBondContact O-N 3.08Å; L325-S327 PolarHBondContact O-N 3.15Å; L325-S327 VanDerWaalsContact O-N 3.11Å; L325-I329 HydrophobicContact CB-CD1 4.3Å; L325-I329 HydrophobicContact CD1-CD1 3.28Å; L325-I329 HydrophobicContact CG-CD1 3.84Å
326T42.2Very low61.4Low114 Ų11475.6 Ų75.670%0.69942%0.421SS*.Hα-helixtrans-8777.4-177480000111.2
327S43.2Very low60.4Low110 Ų11080.5 Ų80.577%0.76945%0.446SS*.Hα-helixtrans142-12.7152.358.80000115.2L325L325-S327 PolarHBondContact O-N 3.15Å; L325-S327 VanDerWaalsContact O-N 3.11Å
328E42.2Very low59.4Low111 Ų11180 Ų8052%0.51944%0.442SS..Hα-helixtrans-116.8-9.9-169.3-68178.9166.200115.9S331E328-S331 PolarHBondContact O-N 2.83Å; E328-S331 PolarHBondContact O-OG 3.38Å
329I46.4Very low58.7Low54 Ų5479.2 Ų79.228%0.27744%0.44SS..THydrogen-bonded Turntrans-87.3-8.9-173.1-60.4-175.4000113.3I320 L325 S331 I334I320-I329 HydrophobicContact CD1-CD1 4.46Å; I320-I329 HydrophobicContact CG2-CD1 4.15Å; L325-I329 HydrophobicContact CB-CD1 4.3Å; L325-I329 HydrophobicContact CD1-CD1 3.28Å; L325-I329 HydrophobicContact CG-CD1 3.84Å; I329-S331 PolarHBondContact O-N 3.31Å; I329-I334 HydrophobicContact CG1-CG2 4.26Å
330Q45.5Very low58Low206 Ų20679.3 Ų79.396%0.96344%0.439SS*.THydrogen-bonded Turntrans-74.4-7.1164.6-76.5-174.9-20.400113.1
331S43.9Very low57.3Low55 Ų5583.6 Ų83.639%0.38546%0.455SS..SBendtrans-105.2129.2171.833.10000110.9E328 I329 S333E328-S331 PolarHBondContact O-N 2.83Å; E328-S331 PolarHBondContact O-OG 3.38Å; I329-S331 PolarHBondContact O-N 3.31Å; S331-S333 PolarHBondContact O-N 3.03Å
332S54.1Low57.5Low113 Ų11378.7 Ų78.779%0.7943%0.432SS*.THydrogen-bonded Turntrans-53.310.6172.737.10000116.1P336S332-P336 WeakPolarHBondContact O-CD 3.25Å
333S60.3Low57.9Low63 Ų6375.1 Ų75.144%0.44141%0.413SS..THydrogen-bonded Turntrans-93.3-30.2-171.655.10000114.9S331S331-S333 PolarHBondContact O-N 3.03Å
334I61.3Low58.6Low24 Ų2471.3 Ų71.312%0.12339%0.392CS..Hα-helixtrans-76.3-31.8-176.5-158.7163.9000113I329 L337 V338I329-I334 HydrophobicContact CG1-CG2 4.26Å; I334-L337 PolarHBondContact O-N 3.47Å; I334-V338 HydrophobicContact CG1-CG2 4.46Å; I334-V338 WeakPolarHBondContact O-CG2 3.37Å; I334-V338 PolarHBondContact O-N 3.16Å
335I65.3Low59.2Low49 Ų4968.3 Ų68.325%0.25138%0.384SS..Hα-helixtrans-63.8-50.1-177.7-74.1172.3000110.5L337 V338 I339 F380I335-L337 VanDerWaalsContact C-N 3.27Å; I335-L337 PolarHBondContact O-N 3.17Å; I335-V338 PolarHBondContact O-N 3.3Å; I335-V338 VanDerWaalsContact O-N 3.17Å; I335-I339 HydrophobicContact CG2-CD1 3.58Å; I335-I339 HydrophobicContact CG2-CG1 4.38Å; I335-I339 WeakPolarHBondContact O-CB 3.49Å; I335-I339 VanDerWaalsContact O-CG1 3.27Å; I335-I339 WeakPolarHBondContact O-CG1 3.4Å; I335-I339 PolarHBondContact O-N 2.89Å; I335-F380 HydrophobicContact CB-CZ 4.45Å; I335-F380 HydrophobicContact CD1-CZ 4.28Å; I335-F380 HydrophobicContact CG2-CE1 3.7Å; I335-F380 HydrophobicContact CG2-CE2 3.75Å; I335-F380 HydrophobicContact CG2-CZ 3.16Å
336P67.5Low59.9Low72 Ų7264.5 Ų64.547%0.46836%0.364SS..Hα-helixtrans-54.4-39.3171.7-2934.9000113.8S332 I339 D340S332-P336 WeakPolarHBondContact O-CD 3.25Å; P336-I339 PolarHBondContact O-N 3.08Å; P336-D340 VanDerWaalsContact O-CB 3.26Å; P336-D340 WeakPolarHBondContact O-CB 3.4Å; P336-D340 PolarHBondContact O-N 3.04Å
337L67.5Low61.1Low106 Ų10660.8 Ų60.856%0.55534%0.34SS*.Hα-helixtrans-67.8-38.2178.2-66.7172000112.5I334 I335 R341I334-L337 PolarHBondContact O-N 3.47Å; I335-L337 VanDerWaalsContact C-N 3.27Å; I335-L337 PolarHBondContact O-N 3.17Å; L337-R341 WeakPolarHBondContact O-CB 3.46Å; L337-R341 VanDerWaalsContact O-CG 3.25Å; L337-R341 WeakPolarHBondContact O-CG 3.4Å; L337-R341 PolarHBondContact O-N 2.97Å
338V66.9Low61.9Low7 Ų760.5 Ų60.54%0.04234%0.338CS..Hα-helixtrans-69.6-40.2175174.60000110.7V280 Y318 I334 I335 R341 I342V280-V338 HydrophobicContact CB-CG1 3.66Å; V280-V338 HydrophobicContact CG1-CG1 3.99Å; V280-V338 HydrophobicContact CG2-CB 4.33Å; V280-V338 HydrophobicContact CG2-CG1 3.76Å; Y318-V338 HydrophobicContact CD1-CB 4.35Å; Y318-V338 HydrophobicContact CD1-CG1 3.52Å; Y318-V338 HydrophobicContact CD1-CG2 3.87Å; Y318-V338 HydrophobicContact CE1-CG1 4.5Å; Y318-V338 HydrophobicContact CE1-CG2 4.11Å; Y318-V338 HydrophobicContact CG-CG1 3.86Å; I334-V338 HydrophobicContact CG1-CG2 4.46Å; I334-V338 WeakPolarHBondContact O-CG2 3.37Å; I334-V338 PolarHBondContact O-N 3.16Å; I335-V338 PolarHBondContact O-N 3.3Å; I335-V338 VanDerWaalsContact O-N 3.17Å; V338-R341 PolarHBondContact O-N 2.83Å; V338-I342 HydrophobicContact CG1-CD1 3.99Å; V338-I342 HydrophobicContact CG1-CG1 4.47Å; V338-I342 VanDerWaalsContact O-CG1 3.3Å; V338-I342 WeakPolarHBondContact O-CG1 3.43Å; V338-I342 PolarHBondContact O-N 2.81Å
339I71.4Confident62.5Low17 Ų1758 Ų589%0.08733%0.332CS..Hα-helixtrans-63.2-46.4175.1-69.9165.3000110.5I335 P336 R341 I342 T343 V360 F380I335-I339 HydrophobicContact CG2-CD1 3.58Å; I335-I339 HydrophobicContact CG2-CG1 4.38Å; I335-I339 WeakPolarHBondContact O-CB 3.49Å; I335-I339 VanDerWaalsContact O-CG1 3.27Å; I335-I339 WeakPolarHBondContact O-CG1 3.4Å; I335-I339 PolarHBondContact O-N 2.89Å; P336-I339 PolarHBondContact O-N 3.08Å; I339-R341 VanDerWaalsContact C-N 3.3Å; I339-R341 PolarHBondContact O-N 2.77Å; I339-I342 PolarHBondContact O-N 2.81Å; I339-T343 VanDerWaalsContact O-CB 3.29Å; I339-T343 WeakPolarHBondContact O-CB 3.47Å; I339-T343 PolarHBondContact O-N 2.79Å; I339-T343 PolarHBondContact O-OG1 3.41Å; I339-V360 HydrophobicContact CD1-CG1 3.97Å; I339-V360 HydrophobicContact CG2-CB 4.44Å; I339-V360 HydrophobicContact CG2-CG1 4.03Å; I339-V360 HydrophobicContact CG2-CG2 4.02Å; I339-F380 HydrophobicContact CD1-CD1 3.66Å; I339-F380 HydrophobicContact CD1-CD2 4.24Å; I339-F380 HydrophobicContact CD1-CE1 3.78Å; I339-F380 HydrophobicContact CD1-CE2 4.35Å; I339-F380 HydrophobicContact CD1-CG 3.94Å; I339-F380 HydrophobicContact CD1-CZ 4.18Å; I339-F380 HydrophobicContact CG1-CG 4.47Å
340D70.2Confident63.2Low57 Ų5757.2 Ų57.231%0.30533%0.329SS..Hα-helixtrans-59.6-43.1177.1-178.767.9000110.7P336 T343 N344P336-D340 VanDerWaalsContact O-CB 3.26Å; P336-D340 WeakPolarHBondContact O-CB 3.4Å; P336-D340 PolarHBondContact O-N 3.04Å; D340-T343 PolarHBondContact O-N 3.44Å; D340-N344 VanDerWaalsContact CG-ND2 3.34Å; D340-N344 WeakPolarHBondContact O-CB 3.45Å; D340-N344 VanDerWaalsContact O-CG 3.22Å; D340-N344 PolarHBondContact O-N 3.47Å; D340-N344 PolarHBondContact O-ND2 3.05Å; D340-N344 VanDerWaalsContact O-ND2 3.1Å; D340-N344 PolarHBondContact OD1-ND2 3.3Å; D340-N344 PolarHBondContact OD2-ND2 3.41Å
341R68Low63.9Low96 Ų9654.2 Ų54.236%0.36232%0.319SS..Hα-helixtrans-62.7-45.9173.8-75.7174.4179.9-151.2-5.1113.4L337 V338 I339 T343 A345 Y409L337-R341 WeakPolarHBondContact O-CB 3.46Å; L337-R341 VanDerWaalsContact O-CG 3.25Å; L337-R341 WeakPolarHBondContact O-CG 3.4Å; L337-R341 PolarHBondContact O-N 2.97Å; V338-R341 PolarHBondContact O-N 2.83Å; I339-R341 VanDerWaalsContact C-N 3.3Å; I339-R341 PolarHBondContact O-N 2.77Å; R341-T343 VanDerWaalsContact C-N 3.29Å; R341-T343 PolarHBondContact O-N 3.06Å; R341-A345 PolarHBondContact O-N 3.36Å; R341-Y409 VanDerWaalsContact NH2-CE1 3.26Å
342I72.6Confident64.6Low5 Ų552.5 Ų52.53%0.02631%0.305CS..Hα-helixtrans-60-45.6175.6-69.8168.8000109.2V280 L282 P316 V338 I339 A345 L346V280-I342 HydrophobicContact CB-CD1 4.49Å; V280-I342 HydrophobicContact CG1-CD1 4.19Å; L282-I342 HydrophobicContact CB-CG2 4.07Å; L282-I342 HydrophobicContact CD2-CG2 3.82Å; P316-I342 HydrophobicContact CB-CG2 3.67Å; V338-I342 HydrophobicContact CG1-CD1 3.99Å; V338-I342 HydrophobicContact CG1-CG1 4.47Å; V338-I342 VanDerWaalsContact O-CG1 3.3Å; V338-I342 WeakPolarHBondContact O-CG1 3.43Å; V338-I342 PolarHBondContact O-N 2.81Å; I339-I342 PolarHBondContact O-N 2.81Å; I342-A345 WeakPolarHBondContact O-CB 3.16Å; I342-A345 PolarHBondContact O-N 3.49Å; I342-L346 HydrophobicContact CG2-CD1 4.34Å; I342-L346 WeakPolarHBondContact O-CG 3.34Å; I342-L346 PolarHBondContact O-N 2.96Å
343T69.7Low64.4Low0 Ų053.8 Ų53.80%031%0.309CS..Hα-helixtrans-66.6-45-177.1-54.80000112.1I339 D340 R341 A345 L346 N347 I352 V355 L358I339-T343 VanDerWaalsContact O-CB 3.29Å; I339-T343 WeakPolarHBondContact O-CB 3.47Å; I339-T343 PolarHBondContact O-N 2.79Å; I339-T343 PolarHBondContact O-OG1 3.41Å; D340-T343 PolarHBondContact O-N 3.44Å; R341-T343 VanDerWaalsContact C-N 3.29Å; R341-T343 PolarHBondContact O-N 3.06Å; T343-A345 PolarHBondContact O-N 3.32Å; T343-L346 CarbonylContact O-C 3.38Å; T343-L346 VanDerWaalsContact O-CA 3.27Å; T343-L346 WeakPolarHBondContact O-CA 3.22Å; T343-L346 VanDerWaalsContact O-CB 3.27Å; T343-L346 WeakPolarHBondContact O-CB 3.15Å; T343-L346 PolarHBondContact O-N 3.23Å; T343-N347 PolarHBondContact O-N 2.83Å; T343-N347 PolarHBondContact O-OD1 2.98Å; T343-I352 HydrophobicContact CG2-CG2 4.37Å; T343-V355 HydrophobicContact CG2-CB 4.35Å; T343-V355 HydrophobicContact CG2-CG1 4.08Å; T343-V355 HydrophobicContact CG2-CG2 3.66Å; T343-L358 HydrophobicContact CG2-CD1 3.22Å
344N68.5Low64Low69 Ų6952.9 Ų52.937%0.36930%0.302SS..Hα-helixtrans-60-36.1177.2-74.5-34.4000111.9D340 L346 N347D340-N344 VanDerWaalsContact CG-ND2 3.34Å; D340-N344 WeakPolarHBondContact O-CB 3.45Å; D340-N344 VanDerWaalsContact O-CG 3.22Å; D340-N344 PolarHBondContact O-N 3.47Å; D340-N344 PolarHBondContact O-ND2 3.05Å; D340-N344 VanDerWaalsContact O-ND2 3.1Å; D340-N344 PolarHBondContact OD1-ND2 3.3Å; D340-N344 PolarHBondContact OD2-ND2 3.41Å; N344-L346 VanDerWaalsContact C-N 3.33Å; N344-N347 WeakPolarHBondContact O-CB 3.5Å; N344-N347 PolarHBondContact O-N 3.35Å; N344-N347 PolarHBondContact OD1-ND2 3.45Å
345A63.9Low63.6Low24 Ų2453 Ų5320%0.19830%0.304CS..Hα-helixtrans-66.2-36.4170.700000112.3R341 I342 T343 S348 W411R341-A345 PolarHBondContact O-N 3.36Å; I342-A345 WeakPolarHBondContact O-CB 3.16Å; I342-A345 PolarHBondContact O-N 3.49Å; T343-A345 PolarHBondContact O-N 3.32Å; A345-S348 WeakPolarHBondContact O-CB 3.46Å; A345-S348 PolarHBondContact O-N 3.35Å; A345-W411 HydrophobicContact CB-CH2 3.38Å; A345-W411 HydrophobicContact CB-CZ2 3.61Å; A345-W411 HydrophobicContact CB-CZ3 4.04Å
346L66.9Low62.9Low3 Ų358.2 Ų58.22%0.01633%0.333CS..Hα-helixtrans-69.4-30.4172.9-64.9-176.9000113.5L282 T284 L299 L301 P316 I342 T343 N344 S348 S349 L350 I352L282-L346 HydrophobicContact CD2-CD1 4.19Å; T284-L346 HydrophobicContact CG2-CD1 4.44Å; T284-L346 WeakPolarHBondContact OG1-CD1 3.39Å; L299-L346 HydrophobicContact CD2-CD1 4.27Å; L299-L346 HydrophobicContact CD2-CD2 3.23Å; L299-L346 HydrophobicContact CD2-CG 4.32Å; L301-L346 HydrophobicContact CD1-CD2 4.46Å; P316-L346 HydrophobicContact CB-CD1 4.38Å; P316-L346 HydrophobicContact CB-CD2 4.35Å; P316-L346 HydrophobicContact CG-CD1 4.13Å; P316-L346 HydrophobicContact CG-CD2 3.89Å; P316-L346 HydrophobicContact CG-CG 4.49Å; I342-L346 HydrophobicContact CG2-CD1 4.34Å; I342-L346 WeakPolarHBondContact O-CG 3.34Å; I342-L346 PolarHBondContact O-N 2.96Å; T343-L346 CarbonylContact O-C 3.38Å; T343-L346 VanDerWaalsContact O-CA 3.27Å; T343-L346 WeakPolarHBondContact O-CA 3.22Å; T343-L346 VanDerWaalsContact O-CB 3.27Å; T343-L346 WeakPolarHBondContact O-CB 3.15Å; T343-L346 PolarHBondContact O-N 3.23Å; N344-L346 VanDerWaalsContact C-N 3.33Å; L346-S348 PolarHBondContact O-N 2.73Å; L346-S349 CarbonylContact O-C 3.47Å; L346-S349 WeakPolarHBondContact O-CA 3.47Å; L346-S349 WeakPolarHBondContact O-CB 3.48Å; L346-S349 PolarHBondContact O-N 3.1Å; L346-L350 HydrophobicContact CB-CD1 4.34Å; L346-L350 WeakPolarHBondContact O-CB 3.23Å; L346-L350 PolarHBondContact O-N 3.24Å; L346-I352 HydrophobicContact CB-CD1 4.44Å
347N67Low62.3Low35 Ų3562.6 Ų62.619%0.18735%0.347CS..Hα-helixtrans-56.2-38.2176.3-65.6-1.9000110.5T343 N344 S349 L350 N351 I352T343-N347 PolarHBondContact O-N 2.83Å; T343-N347 PolarHBondContact O-OD1 2.98Å; N344-N347 WeakPolarHBondContact O-CB 3.5Å; N344-N347 PolarHBondContact O-N 3.35Å; N344-N347 PolarHBondContact OD1-ND2 3.45Å; N347-S349 PolarHBondContact O-N 3.19Å; N347-L350 PolarHBondContact O-N 3.3Å; N347-N351 WeakPolarHBondContact O-CA 3.26Å; N347-N351 PolarHBondContact O-N 3.06Å; N347-I352 WeakPolarHBondContact CB-O 3.39Å; N347-I352 PolarHBondContact ND2-O 3.47Å; N347-I352 WeakPolarHBondContact OD1-CB 3.32Å; N347-I352 WeakPolarHBondContact OD1-CG2 3.41Å; N347-I352 PolarHBondContact OD1-O 2.99Å
348S60.6Low62.2Low104 Ų10459.4 Ų59.473%0.72733%0.33SS*.Hα-helixtrans-63.7-21.2175.2-56.20000113.4A345 L346A345-S348 WeakPolarHBondContact O-CB 3.46Å; A345-S348 PolarHBondContact O-N 3.35Å; L346-S348 PolarHBondContact O-N 2.73Å
349S56Low62.3Low58 Ų5863.2 Ų63.241%0.40635%0.35SS..Hα-helixtrans-104.9-26.2-179-55.40000113.5L346 N347L346-S349 CarbonylContact O-C 3.47Å; L346-S349 WeakPolarHBondContact O-CA 3.47Å; L346-S349 WeakPolarHBondContact O-CB 3.48Å; L346-S349 PolarHBondContact O-N 3.1Å; N347-S349 PolarHBondContact O-N 3.19Å
350L60.7Low62.7Low38 Ų3864.1 Ų64.120%0.19936%0.357CS..Hα-helixtrans-124.80.3-166.5-62.2-173.2000114.6T284 L299 L346 N347 I352 W420T284-L350 HydrophobicContact CG2-CD1 4.1Å; L299-L350 HydrophobicContact CD2-CD1 4.08Å; L346-L350 HydrophobicContact CB-CD1 4.34Å; L346-L350 WeakPolarHBondContact O-CB 3.23Å; L346-L350 PolarHBondContact O-N 3.24Å; N347-L350 PolarHBondContact O-N 3.3Å; L350-I352 HydrophobicContact CB-CD1 3.8Å; L350-I352 HydrophobicContact CB-CG1 3.84Å; L350-I352 HydrophobicContact CD1-CD1 3.73Å; L350-I352 HydrophobicContact CG-CD1 4.39Å; L350-I352 PolarHBondContact O-N 3.35Å; L350-I352 VanDerWaalsContact O-N 3.15Å; L350-W420 HydrophobicContact CD1-CH2 4.41Å; L350-W420 HydrophobicContact CD1-CZ2 3.74Å; L350-W420 HydrophobicContact CD2-CZ2 3.39Å; L350-W420 HydrophobicContact CG-CZ2 4.22Å
351N60.6Low63.3Low144 Ų14465.5 Ų65.577%0.7736%0.36SS*.  trans50.634.8-173.8-79.2-8.8000113.6N347 T353N347-N351 WeakPolarHBondContact O-CA 3.26Å; N347-N351 PolarHBondContact O-N 3.06Å; N351-T353 PolarHBondContact O-N 3.17Å
352I58.6Low64.3Low18 Ų1865.1 Ų65.19%0.09237%0.37CS..  trans-70.5120.6172.4-68.4163.7000107.6T343 L346 N347 L350 L358T343-I352 HydrophobicContact CG2-CG2 4.37Å; L346-I352 HydrophobicContact CB-CD1 4.44Å; N347-I352 WeakPolarHBondContact CB-O 3.39Å; N347-I352 PolarHBondContact ND2-O 3.47Å; N347-I352 WeakPolarHBondContact OD1-CB 3.32Å; N347-I352 WeakPolarHBondContact OD1-CG2 3.41Å; N347-I352 PolarHBondContact OD1-O 2.99Å; L350-I352 HydrophobicContact CB-CD1 3.8Å; L350-I352 HydrophobicContact CB-CG1 3.84Å; L350-I352 HydrophobicContact CD1-CD1 3.73Å; L350-I352 HydrophobicContact CG-CD1 4.39Å; L350-I352 PolarHBondContact O-N 3.35Å; L350-I352 VanDerWaalsContact O-N 3.15Å; I352-L358 HydrophobicContact CG2-CD1 3.72Å; I352-L358 HydrophobicContact CG2-CD2 3.87Å; I352-L358 HydrophobicContact CG2-CG 4.21Å
353T49.8Very low65.1Low141 Ų14165.6 Ų65.687%0.86537%0.372SS*.  trans-95.6-17.5-168.444.40000114.5N351N351-T353 PolarHBondContact O-N 3.17Å
354S51.7Low66.1Low43 Ų4367 Ų6730%0.30139%0.386SS..  trans-154.6121.8177.2-178.90000112N356S354-N356 VanDerWaalsContact C-N 3.32Å
355V52.5Low67.2Low27 Ų2770 Ų7016%0.16440%0.398CS..G310 helixtrans-70.6-29.2178.6-175.20000111.9T343 E357 L358T343-V355 HydrophobicContact CG2-CB 4.35Å; T343-V355 HydrophobicContact CG2-CG1 4.08Å; T343-V355 HydrophobicContact CG2-CG2 3.66Å; V355-E357 PolarHBondContact O-N 2.87Å; V355-E357 VanDerWaalsContact O-N 3.15Å; V355-L358 HydrophobicContact CB-CD1 4.43Å; V355-L358 HydrophobicContact CG1-CD1 4.29Å; V355-L358 WeakPolarHBondContact O-CB 3.26Å; V355-L358 PolarHBondContact O-N 2.68Å; V355-L358 VanDerWaalsContact O-N 3.12Å
356N50.6Low68.7Low159 Ų15969.6 Ų69.685%0.8539%0.394SS*.G310 helixtrans-70-10.4-176-72.2-23.5000113.9S354S354-N356 VanDerWaalsContact C-N 3.32Å
357E55.3Low69.9Low164 Ų16474.3 Ų74.377%0.76642%0.418SS*.G310 helixtrans-104.7-3.5176.5-66.3178.7-178.200112.8V355 N359V355-E357 PolarHBondContact O-N 2.87Å; V355-E357 VanDerWaalsContact O-N 3.15Å; E357-N359 PolarHBondContact O-N 2.67Å
358L63.9Low71.2Confident38 Ų3873.3 Ų73.320%0.19941%0.412CS..  trans-78.5123.6-177.4-63.1174000110.5T343 I352 V355 V360 L382T343-L358 HydrophobicContact CG2-CD1 3.22Å; I352-L358 HydrophobicContact CG2-CD1 3.72Å; I352-L358 HydrophobicContact CG2-CD2 3.87Å; I352-L358 HydrophobicContact CG2-CG 4.21Å; V355-L358 HydrophobicContact CB-CD1 4.43Å; V355-L358 HydrophobicContact CG1-CD1 4.29Å; V355-L358 WeakPolarHBondContact O-CB 3.26Å; V355-L358 PolarHBondContact O-N 2.68Å; V355-L358 VanDerWaalsContact O-N 3.12Å; L358-V360 HydrophobicContact CB-CG2 4.09Å; L358-V360 PolarHBondContact O-N 3.1Å; L358-L382 HydrophobicContact CB-CD1 3.75Å; L358-L382 HydrophobicContact CD1-CD1 4.39Å; L358-L382 HydrophobicContact CD1-CD2 4.31Å; L358-L382 HydrophobicContact CD2-CD1 4.04Å; L358-L382 HydrophobicContact CG-CD1 4.27Å
359N70.7Confident72.6Confident88 Ų8873.3 Ų73.347%0.47140%0.403SS..  trans-74.966177.7-166.81.6000111E357 K361E357-N359 PolarHBondContact O-N 2.67Å; N359-K361 WeakPolarHBondContact ND2-CE 3.44Å; N359-K361 WeakPolarHBondContact OD1-CE 3.5Å
360V79.7Confident74.1Confident36 Ų3672 Ų7222%0.21839%0.39CS..EExtended strand (participates in β ladder)trans-78.6121.8177-175.80000109.4L282 I339 L358 F380 E381 L382L282-V360 HydrophobicContact CD1-CG1 3.97Å; I339-V360 HydrophobicContact CD1-CG1 3.97Å; I339-V360 HydrophobicContact CG2-CB 4.44Å; I339-V360 HydrophobicContact CG2-CG1 4.03Å; I339-V360 HydrophobicContact CG2-CG2 4.02Å; L358-V360 HydrophobicContact CB-CG2 4.09Å; L358-V360 PolarHBondContact O-N 3.1Å; V360-F380 HydrophobicContact CG1-CB 4.01Å; V360-F380 HydrophobicContact CG1-CD1 4.02Å; V360-F380 HydrophobicContact CG1-CG 4.36Å; V360-E381 CarbonylContact C-O 3.49Å; V360-E381 VanDerWaalsContact CA-O 3.24Å; V360-E381 WeakPolarHBondContact CA-O 3.43Å; V360-L382 HydrophobicContact CG2-CB 4.49Å; V360-L382 HydrophobicContact CG2-CD1 4.01Å
361K83.1Confident75.1Confident85 Ų8574 Ų7437%0.3741%0.407SS..EExtended strand (participates in β ladder)trans-117.3132.3-177.2-63.9-179.3-173.2173.50111.6N359 F380 E381N359-K361 WeakPolarHBondContact ND2-CE 3.44Å; N359-K361 WeakPolarHBondContact OD1-CE 3.5Å; K361-F380 CarbonylContact O-C 3.49Å; K361-F380 VanDerWaalsContact O-CA 3.31Å; K361-F380 WeakPolarHBondContact O-CA 3.49Å; K361-E381 HydrophobicContact CB-CB 4.44Å; K361-E381 PolarHBondContact N-O 3.29Å; K361-E381 PolarHBondContact O-N 3.36Å
362P87.7Confident76.3Confident88 Ų8872.3 Ų72.357%0.57140%0.395SS*.EExtended strand (participates in β ladder)trans-67.9135.2169.528.4-32.1000110.1F380P362-F380 HydrophobicContact CB-CD1 4.15Å; P362-F380 HydrophobicContact CB-CE1 3.72Å; P362-F380 HydrophobicContact CB-CZ 4.46Å
363I89.9Confident77.6Confident15 Ų1571.6 Ų71.68%0.07739%0.391CS..EExtended strand (participates in β ladder)trans-105.9-51179.9-59.3-64.3000110.7V379 E381 F442 Y445I363-V379 HydrophobicContact CB-CB 4.1Å; I363-V379 HydrophobicContact CB-CG1 3.97Å; I363-V379 WeakPolarHBondContact CB-O 3.36Å; I363-V379 HydrophobicContact CG1-CG1 4.27Å; I363-V379 HydrophobicContact CG2-CB 4.49Å; I363-V379 HydrophobicContact CG2-CG1 4.24Å; I363-V379 PolarHBondContact N-O 3.42Å; I363-E381 HydrophobicContact CD1-CB 3.71Å; I363-E381 HydrophobicContact CG1-CB 3.9Å; I363-F442 HydrophobicContact CD1-CD2 4.34Å; I363-F442 HydrophobicContact CG1-CD2 4.45Å; I363-Y445 HydrophobicContact CD1-CD1 3.25Å; I363-Y445 HydrophobicContact CD1-CD2 4.5Å; I363-Y445 HydrophobicContact CD1-CE1 3.4Å; I363-Y445 HydrophobicContact CD1-CG 3.86Å; I363-Y445 HydrophobicContact CG2-CD1 4.3Å; I363-Y445 HydrophobicContact CG2-CD2 4.09Å; I363-Y445 HydrophobicContact CG2-CG 3.79Å
364G89.9Confident79.6Confident29 Ų2967.7 Ų67.730%0.29936%0.363SS..EExtended strand (participates in β ladder)trans156.8-163.3-176.300000112.7V379G364-V379 PolarHBondContact N-O 3.35Å; G364-V379 WeakPolarHBondContact O-CB 3.32Å; G364-V379 PolarHBondContact O-N 2.82Å
365E92.3Very high81.5Confident133 Ų13365.9 Ų65.962%0.62135%0.35SS*.EExtended strand (participates in β ladder)trans-120.9142.7-178.4-66.3-176.5-172.700112T376 Y377E365-T376 HydrophobicContact CB-CG2 4.15Å; E365-T376 HydrophobicContact CG-CG2 4.36Å; E365-Y377 CarbonylContact C-O 3.6Å; E365-Y377 VanDerWaalsContact CA-O 3.26Å; E365-Y377 WeakPolarHBondContact CA-O 3.37Å
366V94.7Very high83.4Confident16 Ų1665.9 Ų65.910%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-128.1112.7176.71790000109.7Y377 V379 K437 V438 H441V366-Y377 PolarHBondContact N-O 3.03Å; V366-Y377 PolarHBondContact O-N 3.26Å; V366-V379 HydrophobicContact CG2-CG2 4.04Å; V366-K437 HydrophobicContact CG1-CB 4.01Å; V366-V438 HydrophobicContact CB-CG2 4.21Å; V366-V438 HydrophobicContact CG1-CG2 4.33Å; V366-V438 HydrophobicContact CG2-CG2 4.48Å; V366-H441 HydrophobicContact CG2-CB 3.63Å
367L93.3Very high85.4Confident101 Ų10158.5 Ų58.553%0.52931%0.31SS..EExtended strand (participates in β ladder)trans-79.6128.9173.3-178.364.7000111.2I369L367-I369 HydrophobicContact CG-CG1 4.5Å
368H93.3Very high87.2Confident14 Ų1451.7 Ų51.77%0.06528%0.279CS..EExtended strand (participates in β ladder)trans-126.2132172-163.182.2000111.5F370 M375 Y377 T433 A434H368-F370 AromaticContact CD2-CE1 3.8Å; H368-F370 AromaticContact CD2-CE2 3.6Å; H368-F370 AromaticContact CD2-CZ 3.49Å; H368-F370 VanDerWaalsContact CD2-CZ 3.49Å; H368-F370 WeakPolarHBondContact CD2-CZ 3.31Å; H368-F370 AromaticContact NE2-CE1 3.99Å; H368-M375 PolarHBondContact N-O 3.45Å; H368-M375 PolarHBondContact O-N 2.61Å; H368-Y377 HydrophobicContact CB-CD2 4.2Å; H368-Y377 HydrophobicContact CB-CE2 3.8Å; H368-T433 PolarHBondContact CE1-OG1 3.1Å; H368-A434 HydrophobicContact CB-CB 4.09Å
369I90.3Very high88.5Confident105 Ų10549.9 Ų49.954%0.53827%0.269SS..EExtended strand (participates in β ladder)trans-107.4116-176.3-63.9171.9000109.5L367L367-I369 HydrophobicContact CG-CG1 4.5Å
370F87.5Confident89.4Confident29 Ų2946.5 Ų46.513%0.12725%0.25CS..  trans-96.4162.6162.6-55-87.1000109.6L308 L309 H368 H372 I373 M375L308-F370 HydrophobicContact CD1-CD1 4.42Å; L308-F370 HydrophobicContact CD1-CE1 4.36Å; L309-F370 HydrophobicContact CD1-CE1 4.33Å; L309-F370 HydrophobicContact CD1-CZ 4.18Å; L309-F370 HydrophobicContact CD2-CE1 4.35Å; H368-F370 AromaticContact CD2-CE1 3.8Å; H368-F370 AromaticContact CD2-CE2 3.6Å; H368-F370 AromaticContact CD2-CZ 3.49Å; H368-F370 VanDerWaalsContact CD2-CZ 3.49Å; H368-F370 WeakPolarHBondContact CD2-CZ 3.31Å; H368-F370 AromaticContact NE2-CE1 3.99Å; F370-H372 PolarHBondContact O-N 2.69Å; F370-I373 CarbonylContact C-O 3.58Å; F370-I373 WeakPolarHBondContact CA-O 3.3Å; F370-I373 HydrophobicContact CB-CB 4.27Å; F370-I373 WeakPolarHBondContact CB-O 3.4Å; F370-I373 HydrophobicContact CD2-CB 4.16Å; F370-I373 PolarHBondContact N-O 3.29Å; F370-I373 PolarHBondContact O-N 2.76Å; F370-I373 VanDerWaalsContact O-O 3.1Å; F370-M375 HydrophobicContact CD2-CB 4.2Å; F370-M375 HydrophobicContact CE2-CB 3.86Å; F370-M375 HydrophobicContact CE2-CE 3.97Å; F370-M375 HydrophobicContact CE2-SD 4.01Å
371S82.8Confident89.9Confident81 Ų8145.8 Ų45.857%0.56625%0.245SC*.SBendtrans-60.5-23.1-179-43.20000114.7Y97Y97-S371 PolarHBondContact OH-OG 3.18Å
372H83.9Confident90Very high109 Ų10941.7 Ų41.751%0.50523%0.227SC..SBendtrans-125.3-5.1-175.557.8-73000113.1R275 F370R275-H372 PolarHBondContact N-O 2.88Å; F370-H372 PolarHBondContact O-N 2.69Å
373I87.7Confident89.9Confident2 Ų241.2 Ų41.21%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-143128.5-176.3-55.4170.8000109.1R275 Q277 L308 F370 M375R275-I373 HydrophobicContact CG-CB 4.47Å; R275-I373 HydrophobicContact CG-CG1 3.97Å; R275-I373 HydrophobicContact CG-CG2 4.45Å; R275-I373 VanDerWaalsContact NH2-CD1 3.31Å; R275-I373 CarbonylContact O-C 3.59Å; R275-I373 VanDerWaalsContact O-CA 3.32Å; R275-I373 WeakPolarHBondContact O-CA 3.46Å; Q277-I373 HydrophobicContact CB-CG2 3.81Å; L308-I373 HydrophobicContact CD2-CD1 4.14Å; F370-I373 CarbonylContact C-O 3.58Å; F370-I373 WeakPolarHBondContact CA-O 3.3Å; F370-I373 HydrophobicContact CB-CB 4.27Å; F370-I373 WeakPolarHBondContact CB-O 3.4Å; F370-I373 HydrophobicContact CD2-CB 4.16Å; F370-I373 PolarHBondContact N-O 3.29Å; F370-I373 PolarHBondContact O-N 2.76Å; F370-I373 VanDerWaalsContact O-O 3.1Å; I373-M375 HydrophobicContact CG2-CB 4.22Å; I373-M375 HydrophobicContact CG2-CE 4.18Å
374H91.6Very high89.3Confident59 Ų5941.4 Ų41.427%0.27322%0.218SC..EExtended strand (participates in β ladder)trans-97107163.5-66.9-177000107.8R275 K276 Q277R275-H374 PolarHBondContact O-N 2.65Å; K276-H374 CarbonylContact C-O 3.52Å; K276-H374 WeakPolarHBondContact CA-O 3.47Å; K276-H374 HydrophobicContact CG-CB 4.49Å; Q277-H374 PolarHBondContact N-O 2.85Å
375M91.8Very high88.3Confident5 Ų547 Ų473%0.02524%0.236CC..EExtended strand (participates in β ladder)trans-104.7121.6-173-171171.6-66.400110.9Q277 L308 H368 F370 I373 Y377Q277-M375 CarbonylContact O-C 3.59Å; Q277-M375 VanDerWaalsContact O-CA 3.26Å; Q277-M375 WeakPolarHBondContact O-CA 3.35Å; L308-M375 HydrophobicContact CD2-CE 3.78Å; H368-M375 PolarHBondContact N-O 3.45Å; H368-M375 PolarHBondContact O-N 2.61Å; F370-M375 HydrophobicContact CD2-CB 4.2Å; F370-M375 HydrophobicContact CE2-CB 3.86Å; F370-M375 HydrophobicContact CE2-CE 3.97Å; F370-M375 HydrophobicContact CE2-SD 4.01Å; I373-M375 HydrophobicContact CG2-CB 4.22Å; I373-M375 HydrophobicContact CG2-CE 4.18Å; M375-Y377 HydrophobicContact CB-CE2 4.35Å; M375-Y377 HydrophobicContact CG-CD2 4.32Å; M375-Y377 HydrophobicContact CG-CE2 3.89Å; M375-Y377 HydrophobicContact SD-CE1 3.95Å; M375-Y377 HydrophobicContact SD-CE2 3.78Å; M375-Y377 PolarHBondContact SD-OH 2.87Å
376T92.6Very high86.7Confident27 Ų2744.1 Ų44.117%0.16622%0.222CC..EExtended strand (participates in β ladder)trans-97.7119.4170.8-58.50000109.1Q277 N278 T279 E365Q277-T376 PolarHBondContact O-N 2.82Å; N278-T376 CarbonylContact C-O 3.58Å; N278-T376 WeakPolarHBondContact CA-O 3.33Å; N278-T376 WeakPolarHBondContact OD1-CB 3.43Å; T279-T376 PolarHBondContact N-O 3.4Å; E365-T376 HydrophobicContact CB-CG2 4.15Å; E365-T376 HydrophobicContact CG-CG2 4.36Å
377Y92.6Very high84.4Confident5 Ų550.7 Ų50.72%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-88.9122172.4-69.2-89000109.7T279 I281 E365 V366 H368 M375 A434 V438T279-Y377 HydrophobicContact CG2-CD1 4.03Å; T279-Y377 HydrophobicContact CG2-CE1 4Å; T279-Y377 CarbonylContact O-C 3.55Å; T279-Y377 VanDerWaalsContact O-CA 3.23Å; T279-Y377 WeakPolarHBondContact O-CA 3.27Å; I281-Y377 HydrophobicContact CB-CD1 4.3Å; I281-Y377 HydrophobicContact CD1-CD1 4.07Å; I281-Y377 HydrophobicContact CD1-CE1 4.28Å; I281-Y377 HydrophobicContact CG2-CD1 4.29Å; E365-Y377 CarbonylContact C-O 3.6Å; E365-Y377 VanDerWaalsContact CA-O 3.26Å; E365-Y377 WeakPolarHBondContact CA-O 3.37Å; V366-Y377 PolarHBondContact N-O 3.03Å; V366-Y377 PolarHBondContact O-N 3.26Å; H368-Y377 HydrophobicContact CB-CD2 4.2Å; H368-Y377 HydrophobicContact CB-CE2 3.8Å; M375-Y377 HydrophobicContact CB-CE2 4.35Å; M375-Y377 HydrophobicContact CG-CD2 4.32Å; M375-Y377 HydrophobicContact CG-CE2 3.89Å; M375-Y377 HydrophobicContact SD-CE1 3.95Å; M375-Y377 HydrophobicContact SD-CE2 3.78Å; M375-Y377 PolarHBondContact SD-OH 2.87Å; Y377-A434 HydrophobicContact CE2-CB 3.62Å; Y377-A434 WeakPolarHBondContact OH-CB 3.37Å; Y377-V438 HydrophobicContact CD1-CG2 4.17Å; Y377-V438 HydrophobicContact CD2-CG2 4.17Å; Y377-V438 HydrophobicContact CG-CG2 3.78Å
378I91.1Very high81.9Confident20 Ų2055.4 Ų55.410%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-97.3109.7174.1-48.2173.3000106.9N278 T279 V280 I281 F380N278-I378 HydrophobicContact CB-CD1 4.5Å; T279-I378 PolarHBondContact O-N 3.01Å; V280-I378 WeakPolarHBondContact CA-O 3.44Å; V280-I378 HydrophobicContact CG2-CD1 4.43Å; I281-I378 PolarHBondContact N-O 3Å; I378-F380 HydrophobicContact CB-CE2 4.34Å; I378-F380 HydrophobicContact CG2-CE2 3.57Å; I378-F380 HydrophobicContact CG2-CZ 4.08Å
379V92.1Very high79.1Confident1 Ų162.7 Ų62.71%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-97.1127.7-164.4-171.60000110.9I281 I283 I363 G364 V366 V438I281-V379 HydrophobicContact CG2-CB 4.12Å; I281-V379 HydrophobicContact CG2-CG1 4.22Å; I281-V379 HydrophobicContact CG2-CG2 3.78Å; I283-V379 HydrophobicContact CD1-CG1 3.69Å; I283-V379 HydrophobicContact CG1-CG1 4.3Å; I363-V379 HydrophobicContact CB-CB 4.1Å; I363-V379 HydrophobicContact CB-CG1 3.97Å; I363-V379 WeakPolarHBondContact CB-O 3.36Å; I363-V379 HydrophobicContact CG1-CG1 4.27Å; I363-V379 HydrophobicContact CG2-CB 4.49Å; I363-V379 HydrophobicContact CG2-CG1 4.24Å; I363-V379 PolarHBondContact N-O 3.42Å; G364-V379 PolarHBondContact N-O 3.35Å; G364-V379 WeakPolarHBondContact O-CB 3.32Å; G364-V379 PolarHBondContact O-N 2.82Å; V366-V379 HydrophobicContact CG2-CG2 4.04Å; V379-V438 HydrophobicContact CG1-CG1 4.1Å; V379-V438 HydrophobicContact CG2-CG1 4.01Å; V379-V438 HydrophobicContact CG2-CG2 4.42Å
380F90.2Very high76.6Confident16 Ų1664.4 Ų64.47%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-121.3149.3171.9-67.3-91.7000110.5V280 I281 L282 I283 I335 I339 V360 K361 P362 I378V280-F380 HydrophobicContact CG1-CD2 3.79Å; V280-F380 HydrophobicContact CG1-CE2 3.94Å; I281-F380 PolarHBondContact O-N 3.16Å; L282-F380 HydrophobicContact CD1-CB 3.57Å; I283-F380 PolarHBondContact N-O 2.62Å; I335-F380 HydrophobicContact CB-CZ 4.45Å; I335-F380 HydrophobicContact CD1-CZ 4.28Å; I335-F380 HydrophobicContact CG2-CE1 3.7Å; I335-F380 HydrophobicContact CG2-CE2 3.75Å; I335-F380 HydrophobicContact CG2-CZ 3.16Å; I339-F380 HydrophobicContact CD1-CD1 3.66Å; I339-F380 HydrophobicContact CD1-CD2 4.24Å; I339-F380 HydrophobicContact CD1-CE1 3.78Å; I339-F380 HydrophobicContact CD1-CE2 4.35Å; I339-F380 HydrophobicContact CD1-CG 3.94Å; I339-F380 HydrophobicContact CD1-CZ 4.18Å; I339-F380 HydrophobicContact CG1-CG 4.47Å; V360-F380 HydrophobicContact CG1-CB 4.01Å; V360-F380 HydrophobicContact CG1-CD1 4.02Å; V360-F380 HydrophobicContact CG1-CG 4.36Å; K361-F380 CarbonylContact O-C 3.49Å; K361-F380 VanDerWaalsContact O-CA 3.31Å; K361-F380 WeakPolarHBondContact O-CA 3.49Å; P362-F380 HydrophobicContact CB-CD1 4.15Å; P362-F380 HydrophobicContact CB-CE1 3.72Å; P362-F380 HydrophobicContact CB-CZ 4.46Å; I378-F380 HydrophobicContact CB-CE2 4.34Å; I378-F380 HydrophobicContact CG2-CE2 3.57Å; I378-F380 HydrophobicContact CG2-CZ 4.08Å
381E89.2Confident74.5Confident21 Ų2165.6 Ų65.610%0.09833%0.333CS..EExtended strand (participates in β ladder)trans-103.2136.9170.8168.6-178-142.100109.3H285 V360 K361 I363 F442H285-E381 IonicContact CD2-OE1 3.82Å; H285-E381 IonicContact CE1-OE1 3.76Å; H285-E381 PolarHBondContact CE1-OE1 2.82Å; H285-E381 WeakPolarHBondContact NE2-CG 3.48Å; H285-E381 IonicContact NE2-OE1 2.96Å; H285-E381 PolarHBondContact NE2-OE1 2.98Å; V360-E381 CarbonylContact C-O 3.49Å; V360-E381 VanDerWaalsContact CA-O 3.24Å; V360-E381 WeakPolarHBondContact CA-O 3.43Å; K361-E381 HydrophobicContact CB-CB 4.44Å; K361-E381 PolarHBondContact N-O 3.29Å; K361-E381 PolarHBondContact O-N 3.36Å; I363-E381 HydrophobicContact CD1-CB 3.71Å; I363-E381 HydrophobicContact CG1-CB 3.9Å; E381-F442 HydrophobicContact CB-CD2 4.38Å; E381-F442 HydrophobicContact CB-CE2 4.01Å; E381-F442 HydrophobicContact CG-CE2 3.8Å
382L86Confident72.5Confident0 Ų064 Ų640%032%0.322CS..EExtended strand (participates in β ladder)trans-125.4112.3163.817157.5000109.1L282 I283 T284 H285 L358 V360 V384L282-L382 HydrophobicContact CD1-CB 3.81Å; L282-L382 HydrophobicContact CD2-CB 4.11Å; L282-L382 HydrophobicContact CD2-CD2 3.96Å; L282-L382 HydrophobicContact CG-CB 3.97Å; I283-L382 PolarHBondContact O-N 2.79Å; T284-L382 CarbonylContact C-O 3.52Å; T284-L382 VanDerWaalsContact CA-O 3.32Å; T284-L382 WeakPolarHBondContact CA-O 3.19Å; T284-L382 HydrophobicContact CG2-CD2 4.05Å; T284-L382 HydrophobicContact CG2-CG 4.23Å; H285-L382 PolarHBondContact N-O 3.41Å; L358-L382 HydrophobicContact CB-CD1 3.75Å; L358-L382 HydrophobicContact CD1-CD1 4.39Å; L358-L382 HydrophobicContact CD1-CD2 4.31Å; L358-L382 HydrophobicContact CD2-CD1 4.04Å; L358-L382 HydrophobicContact CG-CD1 4.27Å; V360-L382 HydrophobicContact CG2-CB 4.49Å; V360-L382 HydrophobicContact CG2-CD1 4.01Å; L382-V384 HydrophobicContact CD2-CG2 4.46Å; L382-V384 HydrophobicContact CG-CG2 4.22Å
383K84.9Confident70.4Confident77 Ų7763 Ų6334%0.33533%0.327SS..EExtended strand (participates in β ladder)trans-89.4119.8169.9-172.7-172.5173.8-146.60109.3H285 E385H285-K383 WeakPolarHBondContact O-CA 3.24Å; K383-E385 IonicContact NZ-OE1 3.26Å; K383-E385 PolarHBondContact NZ-OE1 2.95Å
384V77.1Confident68Low19 Ų1969.3 Ų69.312%0.11536%0.357CS..  trans-93.3111.5174.4-175.90000108.2T284 H285 T286 L382 Q386 W420T284-V384 HydrophobicContact CG2-CG2 3.64Å; H285-V384 PolarHBondContact O-N 2.86Å; T286-V384 WeakPolarHBondContact CB-O 3.49Å; T286-V384 PolarHBondContact OG1-O 2.91Å; L382-V384 HydrophobicContact CD2-CG2 4.46Å; L382-V384 HydrophobicContact CG-CG2 4.22Å; V384-Q386 HydrophobicContact CG1-CG 4.37Å; V384-W420 HydrophobicContact CG2-CH2 4.4Å
385E69.9Low65.5Low146 Ų14669.4 Ų69.468%0.68236%0.363SS*.  trans-84.2115173.5-57.6-160.9151.100108.1K383K383-E385 IonicContact NZ-OE1 3.26Å; K383-E385 PolarHBondContact NZ-OE1 2.95Å
386Q58.6Low62.9Low73 Ų7371.7 Ų71.734%0.34138%0.375SS..  trans-94.8125.1178.3-74.5177.7-11.900109.1V384V384-Q386 HydrophobicContact CG1-CG 4.37Å
387D46.7Very low60.2Low155 Ų15576.6 Ų76.683%0.82940%0.4SS*.  trans-59.9139.9157.8-99.3-28.2000108.4Q389D387-Q389 PolarHBondContact O-N 2.93Å
388Q39.7Very low57.4Low200 Ų20081.3 Ų81.394%0.93543%0.426SS*.SBendtrans-64.414.8-163.3-69.6-175.3-15.200116.2
389Q35.3Very low54.8Low167 Ų16784 Ų8478%0.7845%0.447SS*.SBendtrans-134.9134.7-179.6-67.9-179.3-8.700110.4D387D387-Q389 PolarHBondContact O-N 2.93Å
390T37.4Very low51.9Low141 Ų14190.3 Ų90.387%0.86548%0.481SS*.  trans73.373.6171.346.80000118.7
391I44Very low49.3Very low54 Ų5494.8 Ų94.828%0.27751%0.509SS..  -101.1108.3125-60.9171.7000106.3C395I391-C395 HydrophobicContact CG2-CB 3.95Å
392S40.2Very low46.4Very low47 Ų47100.4 Ų100.433%0.32955%0.545SS..  trans-65.2145.6163.183.10000107.4E394 C395S392-E394 PolarHBondContact O-N 3.42Å; S392-E394 WeakPolarHBondContact OG-CB 3.48Å; S392-E394 PolarHBondContact OG-N 2.73Å; S392-E394 PolarHBondContact OG-OE2 3.47Å; S392-C395 PolarHBondContact O-N 3.26Å; S392-C395 VanDerWaalsContact O-N 3.1Å
393S39.8Very low44Very low87 Ų87105.9 Ų105.961%0.60858%0.579SS**THydrogen-bonded Turntrans-55.4-6.4173.645.40000113.9L396S393-L396 WeakPolarHBondContact O-CB 3.31Å
394E37.2Very low41.3Very low136 Ų136108.8 Ų108.864%0.63660%0.603SS**THydrogen-bonded Turntrans-80.9-28178.2-59.3156.7149.300112.6S392 L396 N397S392-E394 PolarHBondContact O-N 3.42Å; S392-E394 WeakPolarHBondContact OG-CB 3.48Å; S392-E394 PolarHBondContact OG-N 2.73Å; S392-E394 PolarHBondContact OG-OE2 3.47Å; E394-L396 PolarHBondContact O-N 3.31Å; E394-L396 VanDerWaalsContact O-N 3.14Å; E394-N397 PolarHBondContact O-N 2.88Å; E394-N397 VanDerWaalsContact O-N 3.15Å
395C39.3Very low39.2Very low60 Ų60113.2 Ų113.241%0.40563%0.63SS.*THydrogen-bonded Turntrans-67.3-12.1171.6-56.90000112.7I391 S392I391-C395 HydrophobicContact CG2-CB 3.95Å; S392-C395 PolarHBondContact O-N 3.26Å; S392-C395 VanDerWaalsContact O-N 3.1Å
396L38.2Very low37.1Very low53 Ų53113.3 Ų113.328%0.27764%0.641SS.*THydrogen-bonded Turntrans-83.6-13.3176.3-69.5161.8000113.1S393 E394 W420S393-L396 WeakPolarHBondContact O-CB 3.31Å; E394-L396 PolarHBondContact O-N 3.31Å; E394-L396 VanDerWaalsContact O-N 3.14Å; L396-W420 HydrophobicContact CD2-CB 3.72Å; L396-W420 HydrophobicContact CD2-CG 4.48Å
397N34.8Very low35.8Very low130 Ų130115.3 Ų115.370%0.69566%0.658SS**  trans-131.910.9-166.9-77.3-23.3000115.6E394 S399E394-N397 PolarHBondContact O-N 2.88Å; E394-N397 VanDerWaalsContact O-N 3.15Å; N397-S399 PolarHBondContact O-N 3.48Å
398N34.2Very low35Very low104 Ų104114.3 Ų114.356%0.55666%0.658SS**  trans-73.292.2-180-90.1-11.6000112.2N400N398-N400 VanDerWaalsContact C-N 3.34Å
399S36.4Very low34.8Very low78 Ų78112.8 Ų112.855%0.54565%0.645SS.*  trans-84.2-0.6170.449.60000114.2N397N397-S399 PolarHBondContact O-N 3.48Å
400N31.5Very low34.8Very low133 Ų133112.3 Ų112.371%0.71165%0.648SS**  trans-135.995.1-175-70.7-21.8000112.5N398N398-N400 VanDerWaalsContact C-N 3.34Å
401T34.7Very low34.9Very low110 Ų110110 Ų11068%0.67562%0.623SS**  trans-126.193.7156.526.20000108.8T403T401-T403 PolarHBondContact O-N 2.82Å
402T29.4Very low34.6Very low138 Ų138110.8 Ų110.885%0.84763%0.632SS**  trans-85.398.6165.5-28.10000106.8
403T35.8Very low34.3Very low115 Ų115115.1 Ų115.171%0.70666%0.659SS**  trans-113.4103.8173.310000110.2T401 T405T401-T403 PolarHBondContact O-N 2.82Å; T403-T405 PolarHBondContact O-N 2.87Å
404T27.8Very low34.4Very low139 Ų139112.9 Ų112.985%0.85364%0.643SS**  trans-70.197.3161.335.70000109.4
405T31.8Very low34.9Very low111 Ų111108.6 Ų108.668%0.68163%0.625SS**  trans-139.5109.2158.239.80000109.5T403 T407T403-T405 PolarHBondContact O-N 2.87Å; T405-T407 PolarHBondContact O-N 2.9Å; T405-T407 VanDerWaalsContact O-N 3.12Å
406T26.9Very low35.6Very low149 Ų149108.8 Ų108.891%0.91462%0.622SS**  trans-65.694.716841.20000109.9
407T31.2Very low37.1Very low114 Ų114107.6 Ų107.670%0.69962%0.617SS**  trans-125.4130.415251.90000107.8T405 Y409T405-T407 PolarHBondContact O-N 2.9Å; T405-T407 VanDerWaalsContact O-N 3.12Å; T407-Y409 PolarHBondContact O-N 3.25Å
408T29.4Very low39.2Very low135 Ų135102.4 Ų102.483%0.82860%0.595SS**SBendtrans-69.972.5-174.144.60000111.4
409Y36.2Very low41.5Very low168 Ų168100.6 Ų100.666%0.65958%0.58SS**SBendtrans-146.2103.6159.1-78.3-71.7000107.2R341 T407 W411R341-Y409 VanDerWaalsContact NH2-CE1 3.26Å; T407-Y409 PolarHBondContact O-N 3.25Å; Y409-W411 PolarHBondContact O-N 3.28Å
410D34Very low43.9Very low157 Ų15798.1 Ų98.184%0.8456%0.559SS**  trans-55.690.9-176.6-70-46.9000112.1
411W40Very low46.6Very low91 Ų9192.1 Ų92.135%0.34553%0.528SS..  trans-90.9138.6150.6-139.955.9000106.4A345 Y409 P413 L415A345-W411 HydrophobicContact CB-CH2 3.38Å; A345-W411 HydrophobicContact CB-CZ2 3.61Å; A345-W411 HydrophobicContact CB-CZ3 4.04Å; Y409-W411 PolarHBondContact O-N 3.28Å; W411-P413 VanDerWaalsContact O-CD 3.23Å; W411-P413 WeakPolarHBondContact O-CD 3.34Å; W411-P413 VanDerWaalsContact O-N 3.09Å; W411-L415 HydrophobicContact CD2-CD1 4.28Å; W411-L415 HydrophobicContact CE3-CD1 4.06Å; W411-L415 HydrophobicContact CH2-CB 4.01Å; W411-L415 HydrophobicContact CH2-CD1 3Å; W411-L415 HydrophobicContact CH2-CG 4.06Å; W411-L415 HydrophobicContact CZ2-CD1 3.19Å; W411-L415 HydrophobicContact CZ3-CB 3.86Å; W411-L415 HydrophobicContact CZ3-CD1 3.46Å; W411-L415 VanDerWaalsContact CZ3-CD1 3.46Å; W411-L415 HydrophobicContact CZ3-CG 4.19Å
412P37Very low49.3Very low71 Ų7187.3 Ų87.346%0.46150%0.498SS..  trans-55.8124.1170.722-28.9000107.4S414P412-S414 PolarHBondContact O-N 2.87Å
413P35.1Very low52.3Low139 Ų13983.3 Ų83.390%0.90347%0.468SS*.SBendtrans-67.130.6-173.9-20.932.4000115.1W411W411-P413 VanDerWaalsContact O-CD 3.23Å; W411-P413 WeakPolarHBondContact O-CD 3.34Å; W411-P413 VanDerWaalsContact O-N 3.09Å
414S41Very low54.7Low39 Ų3983 Ų8327%0.27346%0.458SS..  trans-15960.9-167.955.80000112.7P412 N416P412-S414 PolarHBondContact O-N 2.87Å; S414-N416 PolarHBondContact O-N 2.88Å; S414-N416 VanDerWaalsContact O-N 3.1Å
415L47.7Very low57.5Low47 Ų4780.7 Ų80.725%0.24644%0.44CS..  trans-79.979.1149.4-90.2149.3000107L301 W411 S417L301-L415 HydrophobicContact CB-CD2 3.43Å; L301-L415 VanDerWaalsContact CB-CD2 3.43Å; L301-L415 HydrophobicContact CD1-CD1 4.25Å; L301-L415 HydrophobicContact CD1-CD2 3.82Å; L301-L415 HydrophobicContact CD1-CG 4.49Å; L301-L415 HydrophobicContact CG-CD2 4.25Å; W411-L415 HydrophobicContact CD2-CD1 4.28Å; W411-L415 HydrophobicContact CE3-CD1 4.06Å; W411-L415 HydrophobicContact CH2-CB 4.01Å; W411-L415 HydrophobicContact CH2-CD1 3Å; W411-L415 HydrophobicContact CH2-CG 4.06Å; W411-L415 HydrophobicContact CZ2-CD1 3.19Å; W411-L415 HydrophobicContact CZ3-CB 3.86Å; W411-L415 HydrophobicContact CZ3-CD1 3.46Å; W411-L415 VanDerWaalsContact CZ3-CD1 3.46Å; W411-L415 HydrophobicContact CZ3-CG 4.19Å; L415-S417 PolarHBondContact O-N 3.27Å
416N54.2Low60.2Low64 Ų6475.4 Ų75.434%0.34241%0.408SS..  trans-59.8127.4173.1-66-36.7000108Q302 S414Q302-N416 VanDerWaalsContact CB-O 3.31Å; Q302-N416 WeakPolarHBondContact CB-O 3.37Å; S414-N416 PolarHBondContact O-N 2.88Å; S414-N416 VanDerWaalsContact O-N 3.1Å
417S70.6Confident62.8Low27 Ų2772.1 Ų72.119%0.18939%0.385CS..  trans48.4113.2171.961.30000117.1Q302 W313 L415Q302-S417 PolarHBondContact N-O 3.01Å; W313-S417 VanDerWaalsContact CZ3-O 3.3Å; W313-S417 WeakPolarHBondContact CZ3-O 3.48Å; L415-S417 PolarHBondContact O-N 3.27Å
418G77.8Confident65.1Low22 Ų2272.4 Ų72.423%0.22738%0.382CS..EExtended strand (participates in β ladder)trans-94.9149.716300000111.2L300L300-G418 CarbonylContact O-C 3.52Å; L300-G418 WeakPolarHBondContact O-CA 3.33Å
419R83.2Confident67.8Low65 Ų6566.1 Ų66.125%0.24534%0.344CS..EExtended strand (participates in β ladder)trans-144.6147.9173.174.7-178.1-172.1-177.45.7112.3L300 W313 V421 S429L300-R419 PolarHBondContact N-O 2.96Å; L300-R419 PolarHBondContact O-N 2.97Å; W313-R419 HydrophobicContact CE3-CG 4.01Å; W313-R419 HydrophobicContact CH2-CB 4.41Å; W313-R419 HydrophobicContact CH2-CG 3.94Å; W313-R419 HydrophobicContact CZ3-CB 4.22Å; W313-R419 HydrophobicContact CZ3-CG 3.58Å; R419-V421 HydrophobicContact CG-CG1 3.92Å; R419-S429 PolarHBondContact NH2-OG 3.38Å
420W85.9Confident70.4Confident26 Ų2658.2 Ų58.210%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-88.9131.2165.8-67.889.7000109.8T284 T286 Y298 L299 L350 V384 L396T284-W420 HydrophobicContact CG2-CH2 4.03Å; T286-W420 HydrophobicContact CG2-CE3 4.23Å; T286-W420 HydrophobicContact CG2-CH2 4.13Å; T286-W420 HydrophobicContact CG2-CZ3 3.8Å; Y298-W420 CarbonylContact O-C 3.54Å; Y298-W420 WeakPolarHBondContact O-CA 3.03Å; L299-W420 HydrophobicContact CB-CD2 4.33Å; L299-W420 HydrophobicContact CB-CE3 4.24Å; L299-W420 HydrophobicContact CB-CH2 4.32Å; L299-W420 HydrophobicContact CB-CZ2 4.39Å; L299-W420 HydrophobicContact CB-CZ3 4.23Å; L299-W420 HydrophobicContact CD1-CD2 4.4Å; L299-W420 HydrophobicContact CD1-CG 4.49Å; L350-W420 HydrophobicContact CD1-CH2 4.41Å; L350-W420 HydrophobicContact CD1-CZ2 3.74Å; L350-W420 HydrophobicContact CD2-CZ2 3.39Å; L350-W420 HydrophobicContact CG-CZ2 4.22Å; V384-W420 HydrophobicContact CG2-CH2 4.4Å; L396-W420 HydrophobicContact CD2-CB 3.72Å; L396-W420 HydrophobicContact CD2-CG 4.48Å
421V89.5Confident73.1Confident8 Ų850.9 Ų50.95%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-118.7143.3175.8-62.70000110.1Y297 Y298 L300 R419 D425 L426Y297-V421 CarbonylContact C-O 3.28Å; Y297-V421 VanDerWaalsContact CA-O 3.25Å; Y297-V421 WeakPolarHBondContact CA-O 3.49Å; Y298-V421 PolarHBondContact N-O 2.77Å; Y298-V421 PolarHBondContact O-N 3.06Å; L300-V421 HydrophobicContact CD1-CB 4.49Å; L300-V421 HydrophobicContact CD1-CG1 4.01Å; L300-V421 HydrophobicContact CD1-CG2 3.62Å; L300-V421 HydrophobicContact CG-CG2 3.91Å; R419-V421 HydrophobicContact CG-CG1 3.92Å; V421-D425 HydrophobicContact CB-CB 4.33Å; V421-L426 HydrophobicContact CG2-CB 4.1Å; V421-L426 HydrophobicContact CG2-CD1 3.88Å
422S91.3Very high75.5Confident9 Ų946.7 Ų46.76%0.06326%0.258CS..EExtended strand (participates in β ladder)trans-65.1162.7169.970.70000110.5H296 E424 D425 L426H296-S422 CarbonylContact O-C 3.55Å; H296-S422 WeakPolarHBondContact O-CA 3.44Å; S422-E424 WeakPolarHBondContact CB-OE2 3.36Å; S422-E424 PolarHBondContact O-N 3.05Å; S422-E424 PolarHBondContact OG-N 2.87Å; S422-E424 PolarHBondContact OG-OE2 2.8Å; S422-D425 PolarHBondContact O-N 2.85Å; S422-D425 WeakPolarHBondContact OG-CB 3.3Å; S422-D425 PolarHBondContact OG-N 3.01Å; S422-D425 PolarHBondContact OG-OD2 2.8Å; S422-L426 PolarHBondContact O-N 2.87Å
423R91.2Very high78Confident54 Ų5445.7 Ų45.720%0.20425%0.251CS..THydrogen-bonded Turntrans-56-36.3172.6176.356.8-171.692.7-10.1111.8H296 Y298 N427 F439 E443H296-R423 PolarHBondContact O-N 2.83Å; Y298-R423 HydrophobicContact CE2-CB 3.97Å; R423-N427 PolarHBondContact NH1-ND2 2.89Å; R423-N427 PolarHBondContact NH1-OD1 2.84Å; R423-F439 VanDerWaalsContact CZ-CE1 3.49Å; R423-E443 IonicContact CZ-OE1 2.76Å; R423-E443 VanDerWaalsContact CZ-OE1 3.26Å; R423-E443 IonicContact CZ-OE2 3.78Å; R423-E443 IonicContact NE-OE1 2.73Å; R423-E443 PolarHBondContact NE-OE1 2.78Å; R423-E443 IonicContact NE-OE2 3.96Å; R423-E443 VanDerWaalsContact NH2-CD 3.26Å; R423-E443 IonicContact NH2-OE1 3.52Å; R423-E443 PolarHBondContact NH2-OE1 3.03Å; R423-E443 IonicContact NH2-OE2 3.65Å; R423-E443 PolarHBondContact NH2-OE2 2.76Å
424E86.9Confident80.8Confident109 Ų10939.1 Ų39.151%0.50921%0.208SC..THydrogen-bonded Turntrans-68.4-51.7179.2-6273.5-15700110.5S422 L426 N427S422-E424 WeakPolarHBondContact CB-OE2 3.36Å; S422-E424 PolarHBondContact O-N 3.05Å; S422-E424 PolarHBondContact OG-N 2.87Å; S422-E424 PolarHBondContact OG-OE2 2.8Å; E424-L426 PolarHBondContact O-N 3.18Å; E424-N427 PolarHBondContact O-N 2.9Å
425D87.5Confident83.3Confident89 Ų8937.3 Ų37.348%0.47620%0.196SC..Hα-helixtrans-69.4-19.1-177.5-57.4-38.3000113.3V421 S422 N427 D428 S429V421-D425 HydrophobicContact CB-CB 4.33Å; S422-D425 PolarHBondContact O-N 2.85Å; S422-D425 WeakPolarHBondContact OG-CB 3.3Å; S422-D425 PolarHBondContact OG-N 3.01Å; S422-D425 PolarHBondContact OG-OD2 2.8Å; D425-N427 PolarHBondContact O-N 2.84Å; D425-D428 PolarHBondContact O-N 2.9Å; D425-S429 PolarHBondContact O-N 3.14Å; D425-S429 PolarHBondContact O-OG 2.91Å
426L87.8Confident85.5Confident1 Ų138.8 Ų38.81%0.00520%0.198CC..Hα-helixtrans-60.8-33.1175.1-17764.6000111.8Y298 L300 F315 V421 S422 E424 D428 S429 I431 F439Y298-L426 HydrophobicContact CD2-CD2 4.27Å; L300-L426 HydrophobicContact CD1-CD1 3.76Å; L300-L426 HydrophobicContact CD2-CD1 3.98Å; L300-L426 HydrophobicContact CG-CD1 4.25Å; F315-L426 HydrophobicContact CZ-CD1 4.26Å; F315-L426 HydrophobicContact CZ-CD2 4.16Å; V421-L426 HydrophobicContact CG2-CB 4.1Å; V421-L426 HydrophobicContact CG2-CD1 3.88Å; S422-L426 PolarHBondContact O-N 2.87Å; E424-L426 PolarHBondContact O-N 3.18Å; L426-D428 VanDerWaalsContact C-N 3.34Å; L426-S429 WeakPolarHBondContact O-CB 3.48Å; L426-I431 HydrophobicContact CD1-CD1 4.19Å; L426-I431 HydrophobicContact CG-CD1 4.37Å; L426-F439 HydrophobicContact CD2-CD1 3.65Å; L426-F439 HydrophobicContact CD2-CD2 3.74Å; L426-F439 HydrophobicContact CD2-CE1 3.49Å; L426-F439 VanDerWaalsContact CD2-CE1 3.49Å; L426-F439 HydrophobicContact CD2-CE2 3.57Å; L426-F439 HydrophobicContact CD2-CG 3.76Å; L426-F439 HydrophobicContact CD2-CZ 3.45Å; L426-F439 VanDerWaalsContact CD2-CZ 3.45Å
427N81.3Confident87.4Confident80 Ų8041.1 Ų41.143%0.42821%0.205SC..Hα-helixtrans-69-36.2179.3-72.9-24.2000112.1R423 E424 D425 R436R423-N427 PolarHBondContact NH1-ND2 2.89Å; R423-N427 PolarHBondContact NH1-OD1 2.84Å; E424-N427 PolarHBondContact O-N 2.9Å; D425-N427 PolarHBondContact O-N 2.84Å; N427-R436 PolarHBondContact O-NH1 2.88Å; N427-R436 PolarHBondContact O-NH2 2.72Å
428D80.4Confident88.6Confident120 Ų12039.8 Ų39.864%0.64220%0.196SC*.Hα-helixtrans-85.8-14.1-178.2-63.5-30.4000112.8S90 D425 L426S90-D428 PolarHBondContact OG-O 2.83Å; D425-D428 PolarHBondContact O-N 2.9Å; L426-D428 VanDerWaalsContact C-N 3.34Å
429S86.4Confident89.4Confident3 Ų339.1 Ų39.12%0.02119%0.187CC..SBendtrans-62.4142.6172.9-66.80000111.5R419 D425 L426 I431 R436R419-S429 PolarHBondContact NH2-OG 3.38Å; D425-S429 PolarHBondContact O-N 3.14Å; D425-S429 PolarHBondContact O-OG 2.91Å; L426-S429 WeakPolarHBondContact O-CB 3.48Å; S429-I431 PolarHBondContact O-N 3.04Å; S429-R436 PolarHBondContact O-NH2 3.1Å
430A89Confident90Very high2 Ų238.6 Ų38.62%0.01720%0.196CC..  trans-72.665.1175.200000112.1N89 L312 W313N89-A430 HydrophobicContact CB-CB 3.55Å; L312-A430 WeakPolarHBondContact CA-O 3.27Å; L312-A430 WeakPolarHBondContact CB-O 3.39Å; L312-A430 HydrophobicContact CD2-CB 4.22Å; L312-A430 WeakPolarHBondContact CD2-O 3.17Å; W313-A430 PolarHBondContact N-O 3.07Å
431I90.6Very high90.4Very high3 Ų340.4 Ų40.42%0.01521%0.206CC..BIsolated β-bridgetrans-98.3153.517861.4172.2000111.1S93 L300 W313 L426 S429 T435 R436S93-I431 PolarHBondContact OG-O 3.13Å; L300-I431 HydrophobicContact CD1-CG2 4.12Å; W313-I431 HydrophobicContact CB-CG2 3.9Å; W313-I431 WeakPolarHBondContact O-CA 3.38Å; W313-I431 WeakPolarHBondContact O-CG2 3.35Å; L426-I431 HydrophobicContact CD1-CD1 4.19Å; L426-I431 HydrophobicContact CG-CD1 4.37Å; S429-I431 PolarHBondContact O-N 3.04Å; I431-T435 HydrophobicContact CB-CG2 4Å; I431-T435 HydrophobicContact CD1-CG2 4.33Å; I431-T435 HydrophobicContact CG2-CG2 4.26Å; I431-R436 HydrophobicContact CD1-CG 3.53Å; I431-R436 HydrophobicContact CG1-CG 3.79Å
432S91.1Very high90.6Very high2 Ų240.3 Ų40.31%0.01420%0.204CC..  trans-73.7162.318080.90000112.6A434 T435 R436S432-A434 PolarHBondContact O-N 2.85Å; S432-A434 WeakPolarHBondContact OG-CB 3.46Å; S432-A434 PolarHBondContact OG-N 2.83Å; S432-T435 WeakPolarHBondContact O-CB 3.27Å; S432-T435 PolarHBondContact O-N 2.9Å; S432-T435 PolarHBondContact OG-N 2.86Å; S432-T435 PolarHBondContact OG-OG1 3.14Å; S432-R436 WeakPolarHBondContact O-CG 3.48Å; S432-R436 PolarHBondContact O-N 3.34Å
433T90.5Very high90.7Very high51 Ų5142.1 Ų42.131%0.31321%0.212SC..Hα-helixtrans-60.6-28.5170.344.60000112.6H368 K437H368-T433 PolarHBondContact CE1-OG1 3.1Å; T433-K437 VanDerWaalsContact O-CG 3.32Å; T433-K437 WeakPolarHBondContact O-CG 3.23Å; T433-K437 PolarHBondContact O-N 2.85Å; T433-K437 VanDerWaalsContact O-N 3.15Å
434A92.8Very high90.8Very high0 Ų043.2 Ų43.20%023%0.228CC..Hα-helixtrans-68.7-48.2174.600000110.8H368 Y377 S432 R436 K437 V438H368-A434 HydrophobicContact CB-CB 4.09Å; Y377-A434 HydrophobicContact CE2-CB 3.62Å; Y377-A434 WeakPolarHBondContact OH-CB 3.37Å; S432-A434 PolarHBondContact O-N 2.85Å; S432-A434 WeakPolarHBondContact OG-CB 3.46Å; S432-A434 PolarHBondContact OG-N 2.83Å; A434-R436 VanDerWaalsContact C-N 3.32Å; A434-R436 PolarHBondContact O-N 3.15Å; A434-K437 WeakPolarHBondContact O-CB 3.48Å; A434-K437 PolarHBondContact O-N 3.41Å; A434-K437 VanDerWaalsContact O-N 3.08Å; A434-V438 WeakPolarHBondContact O-CG2 3.41Å; A434-V438 PolarHBondContact O-N 2.86Å
435T93.5Very high91Very high1 Ų141.9 Ų41.91%0.00622%0.219CC..Hα-helixtrans-58.3-42.8176.2-45.60000111.5E314 F315 I431 S432 K437 V438 F439E314-T435 HydrophobicContact CB-CG2 4.49Å; F315-T435 HydrophobicContact CD2-CG2 3.73Å; F315-T435 HydrophobicContact CE2-CG2 3.65Å; I431-T435 HydrophobicContact CB-CG2 4Å; I431-T435 HydrophobicContact CD1-CG2 4.33Å; I431-T435 HydrophobicContact CG2-CG2 4.26Å; S432-T435 WeakPolarHBondContact O-CB 3.27Å; S432-T435 PolarHBondContact O-N 2.9Å; S432-T435 PolarHBondContact OG-N 2.86Å; S432-T435 PolarHBondContact OG-OG1 3.14Å; T435-K437 PolarHBondContact O-N 3.37Å; T435-V438 PolarHBondContact O-N 2.79Å; T435-F439 WeakPolarHBondContact O-CB 3.17Å; T435-F439 PolarHBondContact O-N 3.31Å
436R93.4Very high90.8Very high79 Ų7938.7 Ų38.730%0.29820%0.203SC..Hα-helixtrans-61-41.4174.4-69.5-178.7-169.5-84.22.1112.4S93 N427 S429 I431 S432 A434 F439 A440S93-R436 PolarHBondContact OG-NH2 3.41Å; N427-R436 PolarHBondContact O-NH1 2.88Å; N427-R436 PolarHBondContact O-NH2 2.72Å; S429-R436 PolarHBondContact O-NH2 3.1Å; I431-R436 HydrophobicContact CD1-CG 3.53Å; I431-R436 HydrophobicContact CG1-CG 3.79Å; S432-R436 WeakPolarHBondContact O-CG 3.48Å; S432-R436 PolarHBondContact O-N 3.34Å; A434-R436 VanDerWaalsContact C-N 3.32Å; A434-R436 PolarHBondContact O-N 3.15Å; R436-F439 PolarHBondContact O-N 3.17Å; R436-A440 WeakPolarHBondContact O-CB 3.27Å; R436-A440 PolarHBondContact O-N 3.18Å
437K94.1Very high90.6Very high112 Ų11246 Ų4649%0.48724%0.235SC..Hα-helixtrans-66.3-44.1176.3-75.3176.9177.8-171.40112.2V366 T433 A434 T435 F439 A440 H441V366-K437 HydrophobicContact CG1-CB 4.01Å; T433-K437 VanDerWaalsContact O-CG 3.32Å; T433-K437 WeakPolarHBondContact O-CG 3.23Å; T433-K437 PolarHBondContact O-N 2.85Å; T433-K437 VanDerWaalsContact O-N 3.15Å; A434-K437 WeakPolarHBondContact O-CB 3.48Å; A434-K437 PolarHBondContact O-N 3.41Å; A434-K437 VanDerWaalsContact O-N 3.08Å; T435-K437 PolarHBondContact O-N 3.37Å; K437-F439 VanDerWaalsContact C-N 3.29Å; K437-F439 PolarHBondContact O-N 2.95Å; K437-A440 PolarHBondContact O-N 3.4Å; K437-H441 WeakPolarHBondContact O-CB 3.29Å; K437-H441 PolarHBondContact O-N 2.76Å
438V95.8Very high90.4Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-57.1-46.7174.8165.90000110.3I281 I283 F315 V366 Y377 V379 A434 T435 H441 F442I281-V438 HydrophobicContact CD1-CG1 4.05Å; I281-V438 HydrophobicContact CD1-CG2 4.45Å; I281-V438 HydrophobicContact CG1-CG1 4.42Å; I281-V438 HydrophobicContact CG2-CG1 3.82Å; I281-V438 HydrophobicContact CG2-CG2 4.45Å; I283-V438 HydrophobicContact CD1-CG1 3.91Å; I283-V438 HydrophobicContact CG1-CG1 4.34Å; F315-V438 HydrophobicContact CD2-CG1 4.4Å; V366-V438 HydrophobicContact CB-CG2 4.21Å; V366-V438 HydrophobicContact CG1-CG2 4.33Å; V366-V438 HydrophobicContact CG2-CG2 4.48Å; Y377-V438 HydrophobicContact CD1-CG2 4.17Å; Y377-V438 HydrophobicContact CD2-CG2 4.17Å; Y377-V438 HydrophobicContact CG-CG2 3.78Å; V379-V438 HydrophobicContact CG1-CG1 4.1Å; V379-V438 HydrophobicContact CG2-CG1 4.01Å; V379-V438 HydrophobicContact CG2-CG2 4.42Å; A434-V438 WeakPolarHBondContact O-CG2 3.41Å; A434-V438 PolarHBondContact O-N 2.86Å; T435-V438 PolarHBondContact O-N 2.79Å; V438-H441 WeakPolarHBondContact O-CB 3.47Å; V438-H441 PolarHBondContact O-N 2.91Å; V438-F442 PolarHBondContact O-N 2.7Å
439F95.7Very high89.7Confident8 Ų841 Ų414%0.03522%0.216CC..Hα-helixtrans-64.4-44.6179.2-169.2-109.9000113Y298 F315 R423 L426 T435 R436 K437 H441 F442 E443Y298-F439 AromaticContact CD1-CE2 3.79Å; Y298-F439 HydrophobicContact CD1-CE2 3.79Å; Y298-F439 HydrophobicContact CD2-CE2 4.38Å; Y298-F439 HydrophobicContact CD2-CZ 4.42Å; Y298-F439 AromaticContact CE1-CE2 3.48Å; Y298-F439 HydrophobicContact CE1-CE2 3.48Å; Y298-F439 VanDerWaalsContact CE1-CE2 3.48Å; Y298-F439 AromaticContact CE1-CZ 3.98Å; Y298-F439 HydrophobicContact CE1-CZ 3.98Å; Y298-F439 HydrophobicContact CE2-CE2 4.08Å; Y298-F439 AromaticContact CE2-CZ 3.85Å; Y298-F439 HydrophobicContact CE2-CZ 3.85Å; Y298-F439 HydrophobicContact CG-CE2 4.24Å; Y298-F439 AromaticContact CZ-CE2 3.62Å; Y298-F439 AromaticContact CZ-CZ 3.6Å; F315-F439 HydrophobicContact CE1-CD2 4.26Å; F315-F439 HydrophobicContact CE2-CB 3.89Å; F315-F439 AromaticContact CE2-CD2 3.98Å; F315-F439 HydrophobicContact CE2-CD2 3.98Å; F315-F439 HydrophobicContact CE2-CG 4.32Å; F315-F439 HydrophobicContact CZ-CB 4.06Å; F315-F439 AromaticContact CZ-CD2 3.38Å; F315-F439 HydrophobicContact CZ-CD2 3.38Å; F315-F439 HydrophobicContact CZ-CE2 4.16Å; F315-F439 AromaticContact CZ-CG 3.98Å; F315-F439 HydrophobicContact CZ-CG 3.98Å; R423-F439 VanDerWaalsContact CZ-CE1 3.49Å; L426-F439 HydrophobicContact CD2-CD1 3.65Å; L426-F439 HydrophobicContact CD2-CD2 3.74Å; L426-F439 HydrophobicContact CD2-CE1 3.49Å; L426-F439 VanDerWaalsContact CD2-CE1 3.49Å; L426-F439 HydrophobicContact CD2-CE2 3.57Å; L426-F439 HydrophobicContact CD2-CG 3.76Å; L426-F439 HydrophobicContact CD2-CZ 3.45Å; L426-F439 VanDerWaalsContact CD2-CZ 3.45Å; T435-F439 WeakPolarHBondContact O-CB 3.17Å; T435-F439 PolarHBondContact O-N 3.31Å; R436-F439 PolarHBondContact O-N 3.17Å; K437-F439 VanDerWaalsContact C-N 3.29Å; K437-F439 PolarHBondContact O-N 2.95Å; F439-H441 VanDerWaalsContact C-N 3.27Å; F439-H441 PolarHBondContact O-N 3.21Å; F439-F442 HydrophobicContact CD2-CD1 4.11Å; F439-F442 AromaticContact CE2-CD1 3.89Å; F439-F442 HydrophobicContact CE2-CD1 3.89Å; F439-F442 HydrophobicContact CE2-CE1 4.15Å; F439-F442 WeakPolarHBondContact O-CB 3.09Å; F439-F442 PolarHBondContact O-N 3.09Å; F439-E443 HydrophobicContact CD1-CG 4.14Å; F439-E443 HydrophobicContact CE1-CG 3.66Å; F439-E443 WeakPolarHBondContact CE1-OE2 3.26Å; F439-E443 HydrophobicContact CE2-CG 4.47Å; F439-E443 HydrophobicContact CZ-CG 3.85Å; F439-E443 PolarHBondContact O-N 3.11Å
440A94.5Very high88.3Confident53 Ų5347.5 Ų47.544%0.43825%0.246SC..Hα-helixtrans-61.3-36.9176.400000112.4R436 K437 E443 S444R436-A440 WeakPolarHBondContact O-CB 3.27Å; R436-A440 PolarHBondContact O-N 3.18Å; K437-A440 PolarHBondContact O-N 3.4Å; A440-E443 PolarHBondContact O-N 3.25Å; A440-S444 PolarHBondContact O-N 3.15Å
441H94.8Very high86.2Confident65 Ų6550.6 Ų50.630%0.30127%0.267SS..Hα-helixtrans-63.7-44.6175.1-174.562.7000111.5V366 K437 V438 F439 S444 Y445V366-H441 HydrophobicContact CG2-CB 3.63Å; K437-H441 WeakPolarHBondContact O-CB 3.29Å; K437-H441 PolarHBondContact O-N 2.76Å; V438-H441 WeakPolarHBondContact O-CB 3.47Å; V438-H441 PolarHBondContact O-N 2.91Å; F439-H441 VanDerWaalsContact C-N 3.27Å; F439-H441 PolarHBondContact O-N 3.21Å; H441-S444 PolarHBondContact O-N 2.96Å; H441-Y445 PolarHBondContact O-N 2.82Å
442F94.9Very high83.9Confident5 Ų554.8 Ų54.82%0.02229%0.29CS..Hα-helixtrans-59.7-48.5173.1163-98.8000112.9I283 H285 Y298 I363 E381 V438 F439 S444 Y445 S446I283-F442 HydrophobicContact CB-CD2 4.43Å; I283-F442 HydrophobicContact CD1-CB 3.22Å; I283-F442 HydrophobicContact CD1-CD1 4.16Å; I283-F442 HydrophobicContact CD1-CD2 3.91Å; I283-F442 HydrophobicContact CD1-CG 3.49Å; I283-F442 VanDerWaalsContact CD1-CG 3.49Å; I283-F442 HydrophobicContact CG2-CD1 4.07Å; I283-F442 HydrophobicContact CG2-CD2 4.24Å; I283-F442 HydrophobicContact CG2-CE1 4.08Å; I283-F442 HydrophobicContact CG2-CE2 4.24Å; I283-F442 HydrophobicContact CG2-CG 4.16Å; I283-F442 HydrophobicContact CG2-CZ 4.17Å; H285-F442 AromaticContact CD2-CZ 3.7Å; H285-F442 AromaticContact NE2-CZ 3.67Å; Y298-F442 AromaticContact CE1-CE1 3.84Å; Y298-F442 HydrophobicContact CE1-CE1 3.84Å; Y298-F442 HydrophobicContact CE1-CZ 4.44Å; I363-F442 HydrophobicContact CD1-CD2 4.34Å; I363-F442 HydrophobicContact CG1-CD2 4.45Å; E381-F442 HydrophobicContact CB-CD2 4.38Å; E381-F442 HydrophobicContact CB-CE2 4.01Å; E381-F442 HydrophobicContact CG-CE2 3.8Å; V438-F442 PolarHBondContact O-N 2.7Å; F439-F442 HydrophobicContact CD2-CD1 4.11Å; F439-F442 AromaticContact CE2-CD1 3.89Å; F439-F442 HydrophobicContact CE2-CD1 3.89Å; F439-F442 HydrophobicContact CE2-CE1 4.15Å; F439-F442 WeakPolarHBondContact O-CB 3.09Å; F439-F442 PolarHBondContact O-N 3.09Å; F442-S444 VanDerWaalsContact C-N 3.26Å; F442-S444 PolarHBondContact O-N 2.77Å; F442-Y445 WeakPolarHBondContact O-CB 3.46Å; F442-Y445 PolarHBondContact O-N 3.21Å; F442-Y445 VanDerWaalsContact O-N 3.08Å; F442-S446 WeakPolarHBondContact CE2-OG 3.25Å; F442-S446 PolarHBondContact O-N 2.78Å; F442-S446 PolarHBondContact O-OG 3.05Å
443E93.5Very high81.6Confident47 Ų4758.6 Ų58.622%0.2231%0.313CS..Hα-helixtrans-60.5-37.9178.6-72-168.4114.900112.4R423 F439 A440 K447R423-E443 IonicContact CZ-OE1 2.76Å; R423-E443 VanDerWaalsContact CZ-OE1 3.26Å; R423-E443 IonicContact CZ-OE2 3.78Å; R423-E443 IonicContact NE-OE1 2.73Å; R423-E443 PolarHBondContact NE-OE1 2.78Å; R423-E443 IonicContact NE-OE2 3.96Å; R423-E443 VanDerWaalsContact NH2-CD 3.26Å; R423-E443 IonicContact NH2-OE1 3.52Å; R423-E443 PolarHBondContact NH2-OE1 3.03Å; R423-E443 IonicContact NH2-OE2 3.65Å; R423-E443 PolarHBondContact NH2-OE2 2.76Å; F439-E443 HydrophobicContact CD1-CG 4.14Å; F439-E443 HydrophobicContact CE1-CG 3.66Å; F439-E443 WeakPolarHBondContact CE1-OE2 3.26Å; F439-E443 HydrophobicContact CE2-CG 4.47Å; F439-E443 HydrophobicContact CZ-CG 3.85Å; F439-E443 PolarHBondContact O-N 3.11Å; A440-E443 PolarHBondContact O-N 3.25Å; E443-K447 WeakPolarHBondContact O-CG 3.43Å; E443-K447 PolarHBondContact O-N 2.86Å; E443-K447 VanDerWaalsContact O-N 3.17Å
444S92.4Very high79Confident78 Ų7861.3 Ų61.355%0.54533%0.326SS..Hα-helixtrans-63-44.3174.9-171.20000111.3A440 H441 F442 K447 S448A440-S444 PolarHBondContact O-N 3.15Å; H441-S444 PolarHBondContact O-N 2.96Å; F442-S444 VanDerWaalsContact C-N 3.26Å; F442-S444 PolarHBondContact O-N 2.77Å; S444-K447 PolarHBondContact O-N 3.48Å; S444-S448 PolarHBondContact O-N 3.2Å; S444-S448 PolarHBondContact O-OG 3.44Å
445Y90.6Very high76.4Confident81 Ų8170.1 Ų70.132%0.31836%0.359SS..Hα-helixtrans-63.7-47.7178.3-178.8-85.7000112.1I363 H441 F442 K447 S448 S449I363-Y445 HydrophobicContact CD1-CD1 3.25Å; I363-Y445 HydrophobicContact CD1-CD2 4.5Å; I363-Y445 HydrophobicContact CD1-CE1 3.4Å; I363-Y445 HydrophobicContact CD1-CG 3.86Å; I363-Y445 HydrophobicContact CG2-CD1 4.3Å; I363-Y445 HydrophobicContact CG2-CD2 4.09Å; I363-Y445 HydrophobicContact CG2-CG 3.79Å; H441-Y445 PolarHBondContact O-N 2.82Å; F442-Y445 WeakPolarHBondContact O-CB 3.46Å; F442-Y445 PolarHBondContact O-N 3.21Å; F442-Y445 VanDerWaalsContact O-N 3.08Å; Y445-K447 VanDerWaalsContact C-N 3.26Å; Y445-K447 PolarHBondContact O-N 3.01Å; Y445-S448 WeakPolarHBondContact CA-OG 3.4Å; Y445-S448 PolarHBondContact O-N 3.27Å; Y445-S448 VanDerWaalsContact O-N 3.14Å; Y445-S448 PolarHBondContact O-OG 3.24Å; Y445-S449 PolarHBondContact O-N 2.79Å; Y445-S449 PolarHBondContact O-OG 2.79Å
446S84.3Confident73.8Confident21 Ų2175 Ų7515%0.14739%0.385CS..Hα-helixtrans-62.1-33.4-179.7-56.70000112.5F442 S449 H450F442-S446 WeakPolarHBondContact CE2-OG 3.25Å; F442-S446 PolarHBondContact O-N 2.78Å; F442-S446 PolarHBondContact O-OG 3.05Å; S446-S449 PolarHBondContact O-OG 3.33Å; S446-H450 PolarHBondContact O-N 3.22Å; S446-H450 PolarHBondContact O-ND1 2.71Å
447K83.8Confident71.2Confident154 Ų15477 Ų7767%0.6740%0.397SS*.Hα-helixtrans-68.6-43.3173.5-74.1173.5-177.1175.60112.2E443 S444 Y445 S451E443-K447 WeakPolarHBondContact O-CG 3.43Å; E443-K447 PolarHBondContact O-N 2.86Å; E443-K447 VanDerWaalsContact O-N 3.17Å; S444-K447 PolarHBondContact O-N 3.48Å; Y445-K447 VanDerWaalsContact C-N 3.26Å; Y445-K447 PolarHBondContact O-N 3.01Å; K447-S451 PolarHBondContact O-N 3.24Å
448S76Confident68.5Low55 Ų5581.4 Ų81.439%0.38541%0.411SS..Hα-helixtrans-64.5-41.217745.30000112.5S444 Y445 H450 S451 D452S444-S448 PolarHBondContact O-N 3.2Å; S444-S448 PolarHBondContact O-OG 3.44Å; Y445-S448 WeakPolarHBondContact CA-OG 3.4Å; Y445-S448 PolarHBondContact O-N 3.27Å; Y445-S448 VanDerWaalsContact O-N 3.14Å; Y445-S448 PolarHBondContact O-OG 3.24Å; S448-H450 PolarHBondContact O-N 2.8Å; S448-S451 PolarHBondContact O-N 2.89Å; S448-S451 VanDerWaalsContact O-N 3.15Å; S448-S451 PolarHBondContact O-OG 3.43Å; S448-D452 PolarHBondContact O-N 3.33Å
449S65.9Low65.9Low41 Ų4188.5 Ų88.529%0.28744%0.442SS..Hα-helixtrans-67.2-33.7-178.8630000113Y445 S446 D452 V453Y445-S449 PolarHBondContact O-N 2.79Å; Y445-S449 PolarHBondContact O-OG 2.79Å; S446-S449 PolarHBondContact O-OG 3.33Å; S449-D452 PolarHBondContact O-N 3.48Å; S449-V453 WeakPolarHBondContact O-CG2 3.47Å; S449-V453 PolarHBondContact O-N 3.29Å
450H56.6Low63.1Low139 Ų13993.2 Ų93.264%0.64447%0.472SS*.Hα-helixtrans-67.8-35172.8-77.767.5000112.4S446 S448 D452 V453 D454S446-H450 PolarHBondContact O-N 3.22Å; S446-H450 PolarHBondContact O-ND1 2.71Å; S448-H450 PolarHBondContact O-N 2.8Å; H450-D452 VanDerWaalsContact C-N 3.34Å; H450-D452 PolarHBondContact O-N 3.12Å; H450-V453 PolarHBondContact O-N 3.15Å; H450-D454 PolarHBondContact O-N 3.38Å
451S44.9Very low60.4Low67 Ų6799.6 Ų99.647%0.46949%0.49SS..Hα-helixtrans-69.1-30.1178.273.40000113.7K447 S448 R455K447-S451 PolarHBondContact O-N 3.24Å; S448-S451 PolarHBondContact O-N 2.89Å; S448-S451 VanDerWaalsContact O-N 3.15Å; S448-S451 PolarHBondContact O-OG 3.43Å; S451-R455 PolarHBondContact O-N 3.1Å
452D43.3Very low57.6Low92 Ų92107.2 Ų107.249%0.49252%0.515SS..Hα-helixtrans-77.5-29.6176.4-81.2-32.5000112.9S448 S449 H450 R455 N456S448-D452 PolarHBondContact O-N 3.33Å; S449-D452 PolarHBondContact O-N 3.48Å; H450-D452 VanDerWaalsContact C-N 3.34Å; H450-D452 PolarHBondContact O-N 3.12Å; D452-R455 PolarHBondContact O-N 2.78Å; D452-N456 PolarHBondContact O-N 2.96Å
453V42.1Very low54.5Low82 Ų82112.5 Ų112.550%0.49755%0.549SS..Hα-helixtrans-68-41.4174.3175.80000111.2S449 H450 R455 N456 Q457S449-V453 WeakPolarHBondContact O-CG2 3.47Å; S449-V453 PolarHBondContact O-N 3.29Å; H450-V453 PolarHBondContact O-N 3.15Å; V453-R455 VanDerWaalsContact C-N 3.32Å; V453-R455 PolarHBondContact O-N 2.82Å; V453-N456 PolarHBondContact O-N 2.76Å; V453-Q457 PolarHBondContact O-N 3.29Å
454D35.3Very low51.6Low108 Ų108115.5 Ų115.558%0.57857%0.574SS**Hα-helixtrans-66.1-32.7175.4-97.2-21000112.8H450 R458H450-D454 PolarHBondContact O-N 3.38Å; D454-R458 PolarHBondContact O-N 3.02Å
455R38.5Very low48.6Very low184 Ų184117.6 Ų117.669%0.69458%0.584SS**Hα-helixtrans-70.1-37.8174.8-115.3178.1175.2-178.9-0.2112.4S451 D452 V453 K459S451-R455 PolarHBondContact O-N 3.1Å; D452-R455 PolarHBondContact O-N 2.78Å; V453-R455 VanDerWaalsContact C-N 3.32Å; V453-R455 PolarHBondContact O-N 2.82Å; R455-K459 PolarHBondContact O-N 3.23Å
456N38.5Very low45.7Very low103 Ų103121.3 Ų121.355%0.55161%0.609SS**Hα-helixtrans-75-34.4177.8-81.6-21.9000112.8D452 V453 R458 K459 T460D452-N456 PolarHBondContact O-N 2.96Å; V453-N456 PolarHBondContact O-N 2.76Å; N456-R458 VanDerWaalsContact C-N 3.32Å; N456-R458 PolarHBondContact O-N 2.82Å; N456-K459 PolarHBondContact O-N 3.27Å; N456-T460 PolarHBondContact O-N 3.48Å; N456-T460 VanDerWaalsContact O-N 3.1Å; N456-T460 PolarHBondContact O-OG1 3.32Å
457Q39.5Very low42.9Very low122 Ų122130.2 Ų130.257%0.5765%0.645SS**Hα-helixtrans-67.2-29.6171.9-73.1-172.312.600113.3V453 T460V453-Q457 PolarHBondContact O-N 3.29Å; Q457-T460 WeakPolarHBondContact CA-OG1 3.33Å; Q457-T460 PolarHBondContact O-OG1 3.32Å
458R37.2Very low40.4Very low204 Ų204131.5 Ų131.577%0.7765%0.654SS**Hα-helixtrans-75.1-24.1171.5-79.3-178.5175.7179.90.4113.7D454 N456D454-R458 PolarHBondContact O-N 3.02Å; N456-R458 VanDerWaalsContact C-N 3.32Å; N456-R458 PolarHBondContact O-N 2.82Å
459K41.2Very low38.1Very low149 Ų149133.4 Ų133.465%0.64867%0.667SS**Hα-helixtrans-79.2-36.7174.1-84.5-177175.2178.90112.6R455 N456 K461 R462 T463R455-K459 PolarHBondContact O-N 3.23Å; N456-K459 PolarHBondContact O-N 3.27Å; K459-K461 VanDerWaalsContact C-N 3.28Å; K459-K461 PolarHBondContact O-N 2.95Å; K459-R462 PolarHBondContact O-N 3.12Å; K459-T463 PolarHBondContact O-OG1 3.38Å
460T38Very low36.4Very low108 Ų108141.5 Ų141.566%0.66370%0.697SS**Hα-helixtrans-71-16.7176.633.10000114.5N456 Q457N456-T460 PolarHBondContact O-N 3.48Å; N456-T460 VanDerWaalsContact O-N 3.1Å; N456-T460 PolarHBondContact O-OG1 3.32Å; Q457-T460 WeakPolarHBondContact CA-OG1 3.33Å; Q457-T460 PolarHBondContact O-OG1 3.32Å
461K38.1Very low35Very low187 Ų187141.8 Ų141.881%0.81370%0.704SS**THydrogen-bonded Turntrans-89.8-2.2170-92.9-178.1177.5176.90115.1K459K459-K461 VanDerWaalsContact C-N 3.28Å; K459-K461 PolarHBondContact O-N 2.95Å
462R35.2Very low34.1Very low224 Ų224143.5 Ų143.585%0.84572%0.715SS**THydrogen-bonded Turntrans-119.42.6-177.3-101.2-178.5172.6179-2.3115.4K459K459-R462 PolarHBondContact O-N 3.12Å
463T30.3Very low33.5Very low117 Ų117148.3 Ų148.372%0.71873%0.732SS**  trans-109.370.4176520000111.1K459K459-T463 PolarHBondContact O-OG1 3.38Å
464S31.1Very low32.9Very low109 Ų109153 Ų15376%0.76275%0.749SS**SBendtrans-142.532.8164590000111.9
465V30.2Very low32.4Very low122 Ų122152.4 Ų152.474%0.73975%0.752SS**SBendtrans-148.5124.6164.4-176.80000109.7
466N29.8Very low31.9Very low159 Ų159152.7 Ų152.785%0.8576%0.759SS**  trans68.4101.6165.9-74-7.8000120.9
467K26.5Very low31.5Very low208 Ų208155.8 Ų155.890%0.90478%0.775SS**  trans-83.4117.2148-110.3178.1175.7176.90108.4
468Q30.5Very low30.8Very low182 Ų182157.3 Ų157.385%0.8579%0.787SS**  trans-163.8121.9147.1-111.1170.88.300110.9
469S27.4Very low30.5Very low94 Ų94154.8 Ų154.866%0.65779%0.789SS**  trans27.5126153.859.20000120.4
470F30.2Very low29.8Very low211 Ų211156.2 Ų156.293%0.92580%0.795SS**  -173.8149.9102-110-84.3000111.5
471D26.3Very low29.8Very low146 Ų146160 Ų16078%0.78180%0.803SS**  trans-101.6163.1-170-151.2-10.8000111.5
472S26.8Very low29.7Very low102 Ų102163.7 Ų163.771%0.71382%0.822SS**  trans88.4141.7161.383.90000122.8
473K30.8Very low29.4Very low193 Ų193160.7 Ų160.784%0.83982%0.821SS**  trans98.398.9170.4-61.2-177.3-180178.90115.2
474Q28.6Very low29.3Very low182 Ų182162.9 Ų162.985%0.8583%0.826SS**  81101.650.9-157.4170.222.800115.4
475S26.6Very low29.2Very low94 Ų94165.9 Ų165.966%0.65783%0.83SS**  trans84139.9137.387.20000123.4
476K27.7Very low29.2Very low190 Ų190168.5 Ų168.583%0.82684%0.835SS**  trans82.1119.6149.9-67179-177.4-176.70119.4
477L30.5Very low29.2Very low169 Ų169169.1 Ų169.189%0.88583%0.834SS**  -175.194.1116.9-97.8150.3000110.8
478D24.7Very low29.3Very low154 Ų154166.5 Ų166.582%0.82483%0.83SS**  trans-94.7123150.8-81.3-38.3000107.1
479N29.1Very low29.2Very low151 Ų151165.4 Ų165.481%0.80783%0.828SS**  trans171.5106.8150.5-91.9-17.9000108.8
480F27.2Very low29.4Very low179 Ų179170.9 Ų170.979%0.78584%0.841SS**  trans-152.3125.8146.2-126-82.5000110.7
481F38.5Very low29.3Very low187 Ų187167.6 Ų167.682%0.8283%0.834SS**  trans102.787169-58.2-68.4000118
482H34.9Very low29.6Very low264 Ų264169.5 Ų169.5100%1.22284%0.839SS**  trans-830133-97.7-57.9000110

Retrieved 482 of 482 residues in 1442.9 ms (Link to these results)

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