A0A093HTW5_STRCA Loading...

Voltage-dependent calcium channel gamma-2 subunit

Regulates the trafficking and gating properties of AMPA-selective glutamate receptors (AMPARs). Promotes their targeting to the cell membrane and synapses and modulates their gating properties by slowing their rates of activation, deactivation and desensitization. Does not show subunit-specific AMPA receptor regulation and regulates all AMPAR subunits. Thought to stabilize the calcium channel in an inactivated (closed) state.

AlphaFold DB (A0A672TLA4), UniProt , Accession A0A093HTW5, Species STRCA (Struthio camelus australis), Gene n/a, Length 323 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
1M44Very low73.7Confident209 Ų20999.7 Ų99.7100%1.0354%0.542SS*.  0-700-87.271.7176.800113.9L3 F4M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.37Å; M1-F4 PolarHBondContact O-N 3.37Å
2G57.5Low75.2Confident56 Ų5699.7 Ų99.758%0.57754%0.54SS*.THydrogen-bonded Turntrans-66.715.4-15200000122.5
3L55.9Low76.5Confident156 Ų15692.2 Ų92.282%0.81750%0.5SS*.THydrogen-bonded Turntrans-93.3-36167.3-149.295.9000111.9M1 R6 G7M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.37Å; L3-R6 PolarHBondContact O-N 2.82Å; L3-G7 PolarHBondContact O-N 3.07Å
4F57Low77.7Confident174 Ų17487.6 Ų87.676%0.76348%0.477SS*.Hα-helixtrans-71-47.2-177.9-152.5-92.2000110.9M1 R6 G7 V8M1-F4 PolarHBondContact O-N 3.37Å; F4-R6 PolarHBondContact O-N 3.46Å; F4-R6 VanDerWaalsContact O-N 3.15Å; F4-G7 PolarHBondContact O-N 3.22Å; F4-G7 VanDerWaalsContact O-N 3.09Å; F4-V8 HydrophobicContact CD1-CG2 4.15Å; F4-V8 HydrophobicContact CE1-CG2 4.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.36Å; F4-V8 PolarHBondContact O-N 2.8Å
5D79.3Confident78.8Confident92 Ų9287.7 Ų87.749%0.49248%0.481SS..Hα-helixtrans-52.3-37.5173.5-66.7-52.5000112.7V8 Q9D5-V8 PolarHBondContact O-N 2.97Å; D5-Q9 WeakPolarHBondContact O-CB 3.31Å; D5-Q9 VanDerWaalsContact O-CG 3.31Å; D5-Q9 WeakPolarHBondContact O-CG 3.45Å; D5-Q9 PolarHBondContact O-N 3.3Å
6R78.8Confident79.8Confident60 Ų6082.9 Ų82.923%0.22646%0.457CS..Hα-helixtrans-72.6-38.8-179.1-171-177.5-175.9134.817.7112.7L3 F4 V8 Q9 M10 M200L3-R6 PolarHBondContact O-N 2.82Å; F4-R6 PolarHBondContact O-N 3.46Å; F4-R6 VanDerWaalsContact O-N 3.15Å; R6-V8 VanDerWaalsContact C-N 3.32Å; R6-Q9 PolarHBondContact O-N 3.23Å; R6-M10 WeakPolarHBondContact O-CB 3.48Å; R6-M10 PolarHBondContact O-N 2.72Å; R6-M200 HydrophobicContact CG-SD 4.46Å
7G82.9Confident80.7Confident43 Ų4378.4 Ų78.444%0.44343%0.434SS..Hα-helixtrans-62-43.8172.300000111L3 F4 M10 L11L3-G7 PolarHBondContact O-N 3.07Å; F4-G7 PolarHBondContact O-N 3.22Å; F4-G7 VanDerWaalsContact O-N 3.09Å; G7-M10 PolarHBondContact O-N 3.23Å; G7-L11 WeakPolarHBondContact O-CB 3.44Å; G7-L11 PolarHBondContact O-N 2.76Å
8V88.9Confident81.5Confident74 Ų7482 Ų8245%0.44845%0.445SS..Hα-helixtrans-62.6-46.8175.7174.90000111.6F4 D5 R6 M10 L11 L12F4-V8 HydrophobicContact CD1-CG2 4.15Å; F4-V8 HydrophobicContact CE1-CG2 4.29Å; F4-V8 WeakPolarHBondContact O-CG2 3.36Å; F4-V8 PolarHBondContact O-N 2.8Å; D5-V8 PolarHBondContact O-N 2.97Å; R6-V8 VanDerWaalsContact C-N 3.32Å; V8-M10 VanDerWaalsContact C-N 3.34Å; V8-M10 PolarHBondContact O-N 3.4Å; V8-L11 PolarHBondContact O-N 3.13Å; V8-L12 VanDerWaalsContact O-CB 3.3Å; V8-L12 WeakPolarHBondContact O-CB 3.39Å; V8-L12 PolarHBondContact O-N 3.39Å
9Q87.8Confident82.3Confident59 Ų5979.6 Ų79.628%0.27644%0.437SS..Hα-helixtrans-58.4-44.2175.5-78.9175.3-1.700112D5 R6 L12 T13D5-Q9 WeakPolarHBondContact O-CB 3.31Å; D5-Q9 VanDerWaalsContact O-CG 3.31Å; D5-Q9 WeakPolarHBondContact O-CG 3.45Å; D5-Q9 PolarHBondContact O-N 3.3Å; R6-Q9 PolarHBondContact O-N 3.23Å; Q9-L12 PolarHBondContact O-N 3.47Å; Q9-T13 WeakPolarHBondContact O-CB 3.47Å; Q9-T13 PolarHBondContact O-N 3.24Å; Q9-T13 PolarHBondContact O-OG1 2.99Å
10M87.6Confident83Confident59 Ų5975.6 Ų75.629%0.29142%0.415SS..Hα-helixtrans-65.5-43.8179.6-162.3173.188.100111.7R6 G7 V8 T13 T14 E126 M200R6-M10 WeakPolarHBondContact O-CB 3.48Å; R6-M10 PolarHBondContact O-N 2.72Å; G7-M10 PolarHBondContact O-N 3.23Å; V8-M10 VanDerWaalsContact C-N 3.34Å; V8-M10 PolarHBondContact O-N 3.4Å; M10-T13 WeakPolarHBondContact O-CB 2.98Å; M10-T13 PolarHBondContact O-N 3.13Å; M10-T14 PolarHBondContact O-N 2.94Å; M10-T14 PolarHBondContact O-OG1 2.78Å; M10-E126 HydrophobicContact CE-CG 3.95Å; M10-E126 VanDerWaalsContact CE-OE1 3.25Å; M10-E126 WeakPolarHBondContact CE-OE1 3.39Å; M10-M200 HydrophobicContact CB-CE 4.19Å; M10-M200 HydrophobicContact CB-SD 4.27Å; M10-M200 HydrophobicContact CG-CE 4.07Å
11L90.7Very high83.6Confident115 Ų11574.9 Ų74.960%0.60241%0.408SS*.Hα-helixtrans-65.4-39176.3-176.8135.9000112.6G7 V8 T13 T14 V15G7-L11 WeakPolarHBondContact O-CB 3.44Å; G7-L11 PolarHBondContact O-N 2.76Å; V8-L11 PolarHBondContact O-N 3.13Å; L11-T13 VanDerWaalsContact C-N 3.32Å; L11-T14 WeakPolarHBondContact CA-OG1 3.49Å; L11-T14 PolarHBondContact O-N 2.9Å; L11-T14 PolarHBondContact O-OG1 3.48Å; L11-V15 HydrophobicContact CD2-CG2 4.42Å; L11-V15 HydrophobicContact CG-CG2 4.48Å; L11-V15 WeakPolarHBondContact O-CB 3.3Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.14Å; L11-V15 PolarHBondContact O-N 2.9Å
12L92.3Very high86.1Confident99 Ų9967.6 Ų67.652%0.51838%0.378SS..Hα-helixtrans-69.2-33.4175.9-165.7142.8000111.5V8 Q9 G16 L196V8-L12 VanDerWaalsContact O-CB 3.3Å; V8-L12 WeakPolarHBondContact O-CB 3.39Å; V8-L12 PolarHBondContact O-N 3.39Å; Q9-L12 PolarHBondContact O-N 3.47Å; L12-G16 PolarHBondContact O-N 2.81Å; L12-L196 HydrophobicContact CD2-CD1 3.45Å; L12-L196 VanDerWaalsContact CD2-CD1 3.45Å
13T92.2Very high87.9Confident2 Ų266.4 Ų66.41%0.01236%0.358CS..Hα-helixtrans-67.5-43.6173.6-52.80000111.3Q9 M10 L11 A17 I122 V193 A197Q9-T13 WeakPolarHBondContact O-CB 3.47Å; Q9-T13 PolarHBondContact O-N 3.24Å; Q9-T13 PolarHBondContact O-OG1 2.99Å; M10-T13 WeakPolarHBondContact O-CB 2.98Å; M10-T13 PolarHBondContact O-N 3.13Å; L11-T13 VanDerWaalsContact C-N 3.32Å; T13-A17 VanDerWaalsContact O-CB 3.27Å; T13-A17 WeakPolarHBondContact O-CB 3.24Å; T13-A17 PolarHBondContact O-N 3.4Å; T13-I122 HydrophobicContact CG2-CD1 4.14Å; T13-V193 HydrophobicContact CG2-CG1 3.9Å; T13-A197 HydrophobicContact CG2-CB 4.44Å
14T92.4Very high89.7Confident29 Ų2959.1 Ų59.118%0.17832%0.319CS..Hα-helixtrans-69.6-46.9178.153.20000112.2M10 L11 G16 A17 F18 I122M10-T14 PolarHBondContact O-N 2.94Å; M10-T14 PolarHBondContact O-OG1 2.78Å; L11-T14 WeakPolarHBondContact CA-OG1 3.49Å; L11-T14 PolarHBondContact O-N 2.9Å; L11-T14 PolarHBondContact O-OG1 3.48Å; T14-G16 VanDerWaalsContact C-N 3.33Å; T14-G16 PolarHBondContact O-N 2.78Å; T14-A17 WeakPolarHBondContact O-CB 3.41Å; T14-A17 PolarHBondContact O-N 3.47Å; T14-F18 WeakPolarHBondContact O-CD2 3.42Å; T14-F18 PolarHBondContact O-N 3.44Å; T14-I122 HydrophobicContact CG2-CG2 3.69Å
15V94.9Very high91.4Very high89 Ų8953.8 Ų53.854%0.53930%0.301SS..Hα-helixtrans-61.7-42.7176.5173.60000110.9L11 F18 A19L11-V15 HydrophobicContact CD2-CG2 4.42Å; L11-V15 HydrophobicContact CG-CG2 4.48Å; L11-V15 WeakPolarHBondContact O-CB 3.3Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.14Å; L11-V15 PolarHBondContact O-N 2.9Å; V15-F18 PolarHBondContact O-N 3.34Å; V15-A19 WeakPolarHBondContact O-CB 3.48Å; V15-A19 PolarHBondContact O-N 2.9Å
16G95.1Very high92Very high10 Ų1053.2 Ų53.210%0.10330%0.297CS..Hα-helixtrans-61.5-41.5174.200000113L12 T14 A19 A20 I189L12-G16 PolarHBondContact O-N 2.81Å; T14-G16 VanDerWaalsContact C-N 3.33Å; T14-G16 PolarHBondContact O-N 2.78Å; G16-A19 PolarHBondContact O-N 2.89Å; G16-A20 WeakPolarHBondContact O-CB 3.23Å; G16-A20 PolarHBondContact O-N 2.98Å; G16-I189 WeakPolarHBondContact O-CG2 3.36Å
17A95.1Very high92.5Very high7 Ų750.3 Ų50.36%0.05829%0.287CS..Hα-helixtrans-61.4-47.1176.300000112.3T13 T14 F21 I122 F142 V193T13-A17 VanDerWaalsContact O-CB 3.27Å; T13-A17 WeakPolarHBondContact O-CB 3.24Å; T13-A17 PolarHBondContact O-N 3.4Å; T14-A17 WeakPolarHBondContact O-CB 3.41Å; T14-A17 PolarHBondContact O-N 3.47Å; A17-F21 WeakPolarHBondContact O-CB 3.47Å; A17-F21 PolarHBondContact O-N 3.27Å; A17-I122 HydrophobicContact CB-CD1 3.83Å; A17-F142 HydrophobicContact CB-CE1 4.29Å; A17-F142 HydrophobicContact CB-CE2 4.04Å; A17-F142 HydrophobicContact CB-CZ 3.46Å; A17-F142 VanDerWaalsContact CB-CZ 3.46Å; A17-V193 HydrophobicContact CB-CG1 4.26Å
18F95.2Very high92.8Very high143 Ų14349.2 Ų49.263%0.62727%0.271SS*.Hα-helixtrans-64.1-40.9175.5-75.1-64.7000112.1T14 V15 S22T14-F18 WeakPolarHBondContact O-CD2 3.42Å; T14-F18 PolarHBondContact O-N 3.44Å; V15-F18 PolarHBondContact O-N 3.34Å; F18-S22 VanDerWaalsContact O-CB 3.29Å; F18-S22 WeakPolarHBondContact O-CB 3.45Å; F18-S22 PolarHBondContact O-N 2.86Å; F18-S22 PolarHBondContact O-OG 3.17Å
19A96.4Very high92.6Very high36 Ų3648.5 Ų48.530%0.29828%0.279SS..Hα-helixtrans-63.4-47.9177.400000112V15 G16 S22 L23V15-A19 WeakPolarHBondContact O-CB 3.48Å; V15-A19 PolarHBondContact O-N 2.9Å; G16-A19 PolarHBondContact O-N 2.89Å; A19-S22 PolarHBondContact O-N 3.46Å; A19-L23 WeakPolarHBondContact O-CB 3.37Å; A19-L23 VanDerWaalsContact O-CG 3.27Å; A19-L23 WeakPolarHBondContact O-CG 3.31Å; A19-L23 PolarHBondContact O-N 3.42Å
20A96.1Very high92.5Very high0 Ų047.8 Ų47.80%028%0.279CS..Hα-helixtrans-60.1-46.7176.600000111.9G16 S22 M24 S186 I189 A190G16-A20 WeakPolarHBondContact O-CB 3.23Å; G16-A20 PolarHBondContact O-N 2.98Å; A20-S22 PolarHBondContact O-N 3.19Å; A20-M24 WeakPolarHBondContact O-CB 3.43Å; A20-M24 PolarHBondContact O-N 2.94Å; A20-S186 WeakPolarHBondContact O-CB 3.34Å; A20-I189 HydrophobicContact CB-CB 4.27Å; A20-I189 HydrophobicContact CB-CG2 4Å; A20-A190 HydrophobicContact CB-CB 4.18Å
21F96.3Very high92.2Very high60 Ų6046.6 Ų46.626%0.26327%0.273SS..Hα-helixtrans-61.2-44.9176.9177.7-102.9000112.3A17 M24 T25 V112 L115 F116A17-F21 WeakPolarHBondContact O-CB 3.47Å; A17-F21 PolarHBondContact O-N 3.27Å; F21-M24 PolarHBondContact O-N 3.19Å; F21-T25 WeakPolarHBondContact O-CB 3.31Å; F21-T25 PolarHBondContact O-N 3.44Å; F21-T25 PolarHBondContact O-OG1 3.31Å; F21-V112 HydrophobicContact CD2-CG1 4.48Å; F21-V112 HydrophobicContact CE2-CG1 3.82Å; F21-L115 HydrophobicContact CD2-CB 4.15Å; F21-F116 HydrophobicContact CD2-CB 4.32Å; F21-F116 HydrophobicContact CE2-CB 3.82Å; F21-F116 HydrophobicContact CE2-CD2 4.12Å; F21-F116 HydrophobicContact CE2-CG 4.41Å; F21-F116 HydrophobicContact CZ-CD2 4.05Å
22S96Very high91.8Very high57 Ų5745.6 Ų45.640%0.39926%0.262SS..Hα-helixtrans-66.3-45.9-179.4-56.90000111.7F18 A19 A20 M24 T25 I26F18-S22 VanDerWaalsContact O-CB 3.29Å; F18-S22 WeakPolarHBondContact O-CB 3.45Å; F18-S22 PolarHBondContact O-N 2.86Å; F18-S22 PolarHBondContact O-OG 3.17Å; A19-S22 PolarHBondContact O-N 3.46Å; A20-S22 PolarHBondContact O-N 3.19Å; S22-M24 VanDerWaalsContact C-N 3.33Å; S22-M24 PolarHBondContact O-N 3.19Å; S22-T25 PolarHBondContact O-N 2.82Å; S22-I26 WeakPolarHBondContact O-CB 3.34Å; S22-I26 VanDerWaalsContact O-CG1 3.26Å; S22-I26 WeakPolarHBondContact O-CG1 3.49Å; S22-I26 PolarHBondContact O-N 3.47Å
23L94.6Very high91.4Very high30 Ų3041.1 Ų41.116%0.15724%0.238CC..Hα-helixtrans-62.3-39.1176.2-72.3171.1000112A19 A27 F182 L185 I189A19-L23 WeakPolarHBondContact O-CB 3.37Å; A19-L23 VanDerWaalsContact O-CG 3.27Å; A19-L23 WeakPolarHBondContact O-CG 3.31Å; A19-L23 PolarHBondContact O-N 3.42Å; L23-A27 WeakPolarHBondContact O-CB 3.46Å; L23-A27 PolarHBondContact O-N 3.39Å; L23-F182 HydrophobicContact CD2-CB 4.21Å; L23-F182 HydrophobicContact CD2-CD1 3.78Å; L23-F182 HydrophobicContact CD2-CE1 4.39Å; L23-F182 HydrophobicContact CD2-CG 4.08Å; L23-L185 HydrophobicContact CD1-CD2 3.99Å; L23-L185 HydrophobicContact CD1-CG 4.15Å; L23-I189 HydrophobicContact CD1-CD1 3.84Å
24M93.6Very high90.7Very high3 Ų341 Ų412%0.01524%0.238CC..Hα-helixtrans-66.4-43.1174.5-164.972.981.300112.4A20 F21 S22 I26 A27 V28 V112 L115 N149 S186A20-M24 WeakPolarHBondContact O-CB 3.43Å; A20-M24 PolarHBondContact O-N 2.94Å; F21-M24 PolarHBondContact O-N 3.19Å; S22-M24 VanDerWaalsContact C-N 3.33Å; S22-M24 PolarHBondContact O-N 3.19Å; M24-I26 VanDerWaalsContact C-N 3.33Å; M24-I26 PolarHBondContact O-N 2.93Å; M24-A27 WeakPolarHBondContact O-CB 3.26Å; M24-A27 PolarHBondContact O-N 2.75Å; M24-V28 HydrophobicContact CG-CG2 4.49Å; M24-V28 PolarHBondContact O-N 3.15Å; M24-V112 HydrophobicContact CB-CG2 4.25Å; M24-V112 HydrophobicContact CG-CG2 3.39Å; M24-L115 HydrophobicContact CB-CD1 3.91Å; M24-L115 HydrophobicContact CE-CD1 3.82Å; M24-L115 HydrophobicContact CG-CD1 4.2Å; M24-N149 HydrophobicContact CE-CB 3.71Å; M24-N149 VanDerWaalsContact CE-ND2 3.29Å; M24-N149 WeakPolarHBondContact CE-ND2 3.43Å; M24-S186 VanDerWaalsContact CE-OG 3.26Å; M24-S186 WeakPolarHBondContact CE-OG 3.2Å; M24-S186 PolarHBondContact SD-OG 3.24Å; M24-S186 VanDerWaalsContact SD-OG 3.4Å
25T92.6Very high89.8Confident62 Ų6242.3 Ų42.338%0.3824%0.24SC..Hα-helixtrans-64.2-40.6178.5-55.20000110.8F21 S22 G29F21-T25 WeakPolarHBondContact O-CB 3.31Å; F21-T25 PolarHBondContact O-N 3.44Å; F21-T25 PolarHBondContact O-OG1 3.31Å; S22-T25 PolarHBondContact O-N 2.82Å; T25-G29 WeakPolarHBondContact O-CA 3.27Å; T25-G29 PolarHBondContact O-N 3.29Å
26I92.4Very high88.4Confident80 Ų8039.1 Ų39.141%0.4122%0.222SC..Hα-helixtrans-62.1-46.1171.9-68.5163.5000110.1S22 M24 G29 T30 F182S22-I26 WeakPolarHBondContact O-CB 3.34Å; S22-I26 VanDerWaalsContact O-CG1 3.26Å; S22-I26 WeakPolarHBondContact O-CG1 3.49Å; S22-I26 PolarHBondContact O-N 3.47Å; M24-I26 VanDerWaalsContact C-N 3.33Å; M24-I26 PolarHBondContact O-N 2.93Å; I26-G29 PolarHBondContact O-N 2.99Å; I26-T30 HydrophobicContact CG2-CG2 4.22Å; I26-T30 WeakPolarHBondContact O-CB 3.37Å; I26-T30 WeakPolarHBondContact O-CG2 3.3Å; I26-T30 PolarHBondContact O-N 3.43Å; I26-T30 VanDerWaalsContact O-N 3.08Å; I26-T30 PolarHBondContact O-OG1 3.38Å; I26-F182 HydrophobicContact CG2-CD2 4.25Å
27A90.5Very high86.8Confident0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-57.4-56.6178.100000111.4L23 M24 G29 W33 S179L23-A27 WeakPolarHBondContact O-CB 3.46Å; L23-A27 PolarHBondContact O-N 3.39Å; M24-A27 WeakPolarHBondContact O-CB 3.26Å; M24-A27 PolarHBondContact O-N 2.75Å; A27-G29 VanDerWaalsContact C-N 3.33Å; A27-G29 PolarHBondContact O-N 3.44Å; A27-W33 HydrophobicContact CB-CZ2 4.38Å; A27-W33 PolarHBondContact O-NE1 3.02Å; A27-S179 VanDerWaalsContact CB-O 3.29Å; A27-S179 WeakPolarHBondContact CB-O 3.5Å
28V87.9Confident85.2Confident19 Ų1945.7 Ų45.712%0.11525%0.251CS..Hα-helixtrans-66.6-31.8-177.9174.80000113.1M24 L63 W64 P108 V112M24-V28 HydrophobicContact CG-CG2 4.49Å; M24-V28 PolarHBondContact O-N 3.15Å; V28-L63 HydrophobicContact CG1-CD2 4.17Å; V28-L63 HydrophobicContact CG2-CD2 4.47Å; V28-W64 HydrophobicContact CG1-CZ2 4.36Å; V28-W64 PolarHBondContact O-NE1 3.09Å; V28-W64 VanDerWaalsContact O-NE1 3.12Å; V28-P108 HydrophobicContact CG2-CB 4.09Å; V28-V112 HydrophobicContact CG2-CG2 4.04Å
29G84.4Confident83.4Confident60 Ų6043 Ų4362%0.61925%0.246SC*.Hα-helixtrans-89.7-5.1-176.300000115.9T25 I26 A27T25-G29 WeakPolarHBondContact O-CA 3.27Å; T25-G29 PolarHBondContact O-N 3.29Å; I26-G29 PolarHBondContact O-N 2.99Å; A27-G29 VanDerWaalsContact C-N 3.33Å; A27-G29 PolarHBondContact O-N 3.44Å
30T86.4Confident81.4Confident44 Ų4442.7 Ų42.727%0.2724%0.241SC..SBendtrans-117.6144.1-179.857.40000112.4I26 Y32 S179I26-T30 HydrophobicContact CG2-CG2 4.22Å; I26-T30 WeakPolarHBondContact O-CB 3.37Å; I26-T30 WeakPolarHBondContact O-CG2 3.3Å; I26-T30 PolarHBondContact O-N 3.43Å; I26-T30 VanDerWaalsContact O-N 3.08Å; I26-T30 PolarHBondContact O-OG1 3.38Å; T30-Y32 PolarHBondContact O-N 3.18Å; T30-S179 WeakPolarHBondContact OG1-CB 3.24Å; T30-S179 PolarHBondContact OG1-OG 3.5Å
31D81Confident79.4Confident33 Ų3351.3 Ų51.318%0.17628%0.279CS..SBendtrans-85.920.2-173.3-64.6-50.2000114.5H60 S61 G62D31-H60 PolarHBondContact O-CD2 2.85Å; D31-H60 VanDerWaalsContact O-CD2 3.29Å; D31-S61 CarbonylContact O-C 3.02Å; D31-G62 PolarHBondContact O-N 2.93Å
32Y82.8Confident77.1Confident95 Ų9550.7 Ų50.737%0.37328%0.28SS..  trans-106.647.1-176.5-56.7-81.2000113.2T30 Y35 H60 G177 W178 S179T30-Y32 PolarHBondContact O-N 3.18Å; Y32-Y35 HydrophobicContact CD1-CE1 4.16Å; Y32-H60 HydrophobicContact CD1-CB 3.89Å; Y32-H60 AromaticContact CD1-CD2 3.63Å; Y32-H60 AromaticContact CD1-CG 3.81Å; Y32-H60 HydrophobicContact CE1-CB 4.24Å; Y32-H60 AromaticContact CE1-CD2 3.44Å; Y32-H60 VanDerWaalsContact CE1-CD2 3.44Å; Y32-H60 WeakPolarHBondContact CE1-CD2 3.5Å; Y32-H60 AromaticContact CE1-CE1 3.91Å; Y32-H60 AromaticContact CE1-CG 3.7Å; Y32-H60 AromaticContact CE1-ND1 3.99Å; Y32-H60 AromaticContact CE1-NE2 3.6Å; Y32-H60 AromaticContact CZ-CD2 3.92Å; Y32-H60 AromaticContact CZ-NE2 3.73Å; Y32-G177 CarbonylContact O-C 3.17Å; Y32-G177 WeakPolarHBondContact O-CA 3.26Å; Y32-W178 PolarHBondContact O-N 3.23Å; Y32-S179 WeakPolarHBondContact CB-OG 3.41Å; Y32-S179 VanDerWaalsContact O-CB 3.25Å; Y32-S179 WeakPolarHBondContact O-CB 3.25Å; Y32-S179 PolarHBondContact O-N 2.98Å; Y32-S179 VanDerWaalsContact O-N 3.13Å; Y32-S179 PolarHBondContact O-OG 3.42Å
33W82.9Confident74.7Confident4 Ų457.3 Ų57.32%0.01530%0.302CS..SBendtrans-76.4-32.1172.8-76.257.2000111.8A27 S61 L63 Y156 G177 F180A27-W33 HydrophobicContact CB-CZ2 4.38Å; A27-W33 PolarHBondContact O-NE1 3.02Å; W33-S61 WeakPolarHBondContact CB-O 3.23Å; W33-S61 PolarHBondContact N-O 3.5Å; W33-L63 HydrophobicContact CZ2-CD2 4.15Å; W33-Y156 HydrophobicContact CB-CE1 4.29Å; W33-Y156 WeakPolarHBondContact CB-OH 3.44Å; W33-Y156 HydrophobicContact CD2-CE2 4.41Å; W33-Y156 AromaticContact CE3-CD1 3.91Å; W33-Y156 HydrophobicContact CE3-CD1 3.91Å; W33-Y156 AromaticContact CE3-CD2 3.99Å; W33-Y156 HydrophobicContact CE3-CD2 3.99Å; W33-Y156 AromaticContact CE3-CE1 3.79Å; W33-Y156 HydrophobicContact CE3-CE1 3.79Å; W33-Y156 AromaticContact CE3-CE2 3.87Å; W33-Y156 HydrophobicContact CE3-CE2 3.87Å; W33-Y156 HydrophobicContact CE3-CG 4.01Å; W33-Y156 AromaticContact CE3-CZ 3.77Å; W33-Y156 HydrophobicContact CZ3-CD1 4.32Å; W33-Y156 HydrophobicContact CZ3-CD2 4.25Å; W33-Y156 HydrophobicContact CZ3-CG 4.12Å; W33-G177 PolarHBondContact O-N 3.31Å; W33-F180 AromaticContact CE3-CD2 4Å; W33-F180 HydrophobicContact CE3-CD2 4Å; W33-F180 HydrophobicContact CZ3-CD2 4.33Å; W33-F180 WeakPolarHBondContact O-CB 3.43Å
34L77.3Confident72.1Confident1 Ų160.6 Ų60.61%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-159.8127.9-159.2-175169.3000110.3H60 S61 Y156 Y174L34-H60 WeakPolarHBondContact O-CA 3.28Å; L34-S61 PolarHBondContact N-O 2.97Å; L34-S61 PolarHBondContact O-N 3.42Å; L34-Y156 WeakPolarHBondContact CB-OH 3.5Å; L34-Y156 HydrophobicContact CD1-CE1 3.91Å; L34-Y156 WeakPolarHBondContact CD1-OH 3.22Å; L34-Y174 HydrophobicContact CD1-CD1 4.47Å; L34-Y174 HydrophobicContact CD1-CE1 3.48Å; L34-Y174 VanDerWaalsContact CD1-CE1 3.48Å; L34-Y174 WeakPolarHBondContact CD1-OH 3.33Å; L34-Y174 HydrophobicContact CD2-CD1 4.36Å; L34-Y174 HydrophobicContact CD2-CD2 4.32Å; L34-Y174 HydrophobicContact CD2-CE1 3.79Å; L34-Y174 HydrophobicContact CD2-CE2 3.73Å; L34-Y174 VanDerWaalsContact CD2-CZ 3.47Å; L34-Y174 HydrophobicContact CG-CD1 4.22Å; L34-Y174 HydrophobicContact CG-CE1 3.63Å; L34-Y174 HydrophobicContact CG-CE2 4.49Å
35Y74.2Confident69.7Low56 Ų5667.7 Ų67.722%0.2237%0.366CS..EExtended strand (participates in β ladder)trans-101.2119.6170.9-61.8-74.3000109.8Y32 T59 H60 L69 S175Y32-Y35 HydrophobicContact CD1-CE1 4.16Å; Y35-T59 WeakPolarHBondContact CA-O 3.36Å; Y35-H60 HydrophobicContact CD1-CB 4.01Å; Y35-H60 HydrophobicContact CE1-CB 3.92Å; Y35-L69 HydrophobicContact CD1-CD1 4.15Å; Y35-L69 HydrophobicContact CE1-CD1 4.02Å; Y35-S175 PolarHBondContact N-O 3.02Å; Y35-S175 PolarHBondContact O-N 2.77Å; Y35-S175 VanDerWaalsContact O-N 3.14Å
36S66.6Low67.3Low22 Ų2268.5 Ų68.515%0.15438%0.375CS..EExtended strand (participates in β ladder)trans-119.7141.4174.4-173.70000108.9T59S36-T59 PolarHBondContact N-O 3.36Å; S36-T59 VanDerWaalsContact N-O 3.1Å; S36-T59 PolarHBondContact O-N 3.45Å; S36-T59 PolarHBondContact O-OG1 2.83Å; S36-T59 VanDerWaalsContact O-OG1 3.08Å
37R60.3Low64.7Low125 Ų12573.1 Ų73.147%0.47239%0.394SS..EExtended strand (participates in β ladder)trans-81.5134.2160.6-76-175.6175.9150.43.4109.4V57 M58R37-V57 WeakPolarHBondContact CA-O 3.36Å; R37-M58 HydrophobicContact CG-CG 4.15Å; R37-M58 HydrophobicContact CG-SD 4.35Å
38G61.8Low62.9Low29 Ų2980.9 Ų80.930%0.29944%0.436SS..  trans-170.8165.2-176.600000112.8V57G38-V57 PolarHBondContact N-O 3.1Å; G38-V57 VanDerWaalsContact O-O 3.05Å
39V56.6Low60.4Low88 Ų8887.6 Ų87.653%0.53347%0.466SS..  trans-88.7111.6177.5-96.20000110.6K41V39-K41 PolarHBondContact O-N 3.47Å
40C55.4Low58.4Low29 Ų2989.6 Ų89.620%0.19647%0.466CS..  trans-74.484.7173.7-163.40000109.9V57 C68 F73C40-V57 HydrophobicContact CB-CG1 4.4Å; C40-C68 HydrophobicContact CB-CB 3.91Å; C40-C68 WeakPolarHBondContact CB-SG 3.18Å; C40-C68 WeakPolarHBondContact SG-CB 3.38Å; C40-C68 CovalentContact SG-SG 2.04Å; C40-C68 PolarHBondContact SG-SG 3.49Å; C40-F73 WeakPolarHBondContact O-CD2 3.49Å
41K53.5Low56.3Low180 Ų18093 Ų9378%0.78349%0.492SS*.  trans-92.7122.6175.9-74.4-171.4176.7-176.20111.3V39V39-K41 PolarHBondContact O-N 3.47Å
42T48.5Very low54.3Low47 Ų47101 Ų10129%0.28853%0.525SS..  trans-75.913016447.40000110.2T44 F73 L76T42-T44 PolarHBondContact O-N 2.9Å; T42-F73 HydrophobicContact CG2-CD1 3.88Å; T42-F73 HydrophobicContact CG2-CE1 3.69Å; T42-F73 HydrophobicContact CG2-CE2 4.48Å; T42-F73 HydrophobicContact CG2-CG 4.36Å; T42-F73 HydrophobicContact CG2-CZ 4.01Å; T42-L76 HydrophobicContact CG2-CD1 4.19Å
43K44.4Very low52.2Low196 Ų196105.1 Ų105.185%0.85255%0.545SS*.  trans-73.173.6161.1-93.4-169.3174.6-178.80108.3
44T40.3Very low50.3Low99 Ų99111.6 Ų111.661%0.60758%0.58SS**  trans-81.6125.2162.838.40000108.1T42 S46T42-T44 PolarHBondContact O-N 2.9Å; T44-S46 PolarHBondContact O-N 3.36Å
45V43.8Very low49Very low153 Ų153117.1 Ų117.193%0.92761%0.606SS**SBendtrans-80.465.8-179.8-174.30000109.6
46S43.2Very low48Very low79 Ų79118.6 Ų118.655%0.55262%0.615SS**  trans-169.3140.5162.653.30000112.1T44T44-S46 PolarHBondContact O-N 3.36Å
47E37.2Very low47.6Very low176 Ų176118.1 Ų118.182%0.82261%0.61SS**  trans70105.7149.9-72.1154.7-151.300120.2E49E47-E49 PolarHBondContact O-N 3.04Å
48N52Low47.8Very low163 Ų163115.4 Ų115.487%0.87260%0.604SS**  trans-25.399.5136.7-60.5-31.5000113.6
49E36.8Very low48.3Very low161 Ų161114.6 Ų114.675%0.75259%0.594SS**  trans-144.6104.8151.6-98.4-51.6150.400111.9E47E47-E49 PolarHBondContact O-N 3.04Å
50T41.6Very low49.1Very low102 Ų102111.2 Ų111.263%0.62657%0.572SS**  trans-0.9126.4150.7-3.80000119.9K52T50-K52 PolarHBondContact O-N 3.4Å
51S41.4Very low49.9Very low115 Ų115110.6 Ų110.680%0.80457%0.568SS**  trans57.222136.161.20000121K53S51-K53 PolarHBondContact O-N 2.86Å; S51-K53 VanDerWaalsContact O-N 3.15Å
52K39.4Very low51.1Low201 Ų201102.1 Ų102.187%0.87453%0.532SS*.  trans-71.7109.6162.5-78.3177.9-178.8166.60109.6T50T50-K52 PolarHBondContact O-N 3.4Å
53K39.2Very low52.2Low182 Ų182100.4 Ų100.479%0.79152%0.521SS*.  trans-6123.5179.9-81.2179.7171.9179.70115.4S51 E55S51-K53 PolarHBondContact O-N 2.86Å; S51-K53 VanDerWaalsContact O-N 3.15Å; K53-E55 PolarHBondContact O-N 3Å
54N43.7Very low53.7Low140 Ų14095.4 Ų95.475%0.74950%0.496SS*.  trans-66.767.1159-61.4-53.5000109.9E56N54-E56 PolarHBondContact O-N 3.25Å
55E49.2Very low55.3Low116 Ų11696.8 Ų96.854%0.54249%0.491SS..  trans-67.1125.5172.1-167.9157.6-123.100107.8K53 V57K53-E55 PolarHBondContact O-N 3Å; E55-V57 PolarHBondContact O-N 3.44Å
56E52.8Low56.9Low88 Ų8891.1 Ų91.141%0.41146%0.456SS..  trans-75.172.4-177.5-64-166.9174.600110.6N54 M58 K170N54-E56 PolarHBondContact O-N 3.25Å; E56-M58 PolarHBondContact O-N 3.5Å; E56-K170 VanDerWaalsContact OE1-CE 3.24Å; E56-K170 WeakPolarHBondContact OE1-CE 3.44Å; E56-K170 IonicContact OE1-NZ 3.43Å; E56-K170 PolarHBondContact OE1-NZ 2.89Å
57V59Low58.6Low11 Ų1187.6 Ų87.67%0.06743%0.432CS..  trans-58.6129.6-179.7164.20000110.1R37 G38 C40 E55 T59 C68 E70R37-V57 WeakPolarHBondContact CA-O 3.36Å; G38-V57 PolarHBondContact N-O 3.1Å; G38-V57 VanDerWaalsContact O-O 3.05Å; C40-V57 HydrophobicContact CB-CG1 4.4Å; E55-V57 PolarHBondContact O-N 3.44Å; V57-T59 HydrophobicContact CG1-CG2 4.17Å; V57-C68 HydrophobicContact CG1-CB 4.37Å; V57-E70 HydrophobicContact CG1-CB 4.13Å; V57-E70 WeakPolarHBondContact CG1-O 3.45Å; V57-E70 WeakPolarHBondContact CG2-O 3.39Å
58M64.1Low60.5Low68 Ų6879.6 Ų79.634%0.33540%0.395SS..EExtended strand (participates in β ladder)trans-74129.1168-61.4-126.4-70.200109.7R37 E56 L69R37-M58 HydrophobicContact CG-CG 4.15Å; R37-M58 HydrophobicContact CG-SD 4.35Å; E56-M58 PolarHBondContact O-N 3.5Å; M58-L69 WeakPolarHBondContact O-CB 3.37Å; M58-L69 PolarHBondContact O-N 3.2Å
59T71.4Confident61.3Low13 Ų1374.7 Ų74.78%0.0837%0.369CS..EExtended strand (participates in β ladder)trans-117.6146.8172.664.60000109.6Y35 S36 V57 C68Y35-T59 WeakPolarHBondContact CA-O 3.36Å; S36-T59 PolarHBondContact N-O 3.36Å; S36-T59 VanDerWaalsContact N-O 3.1Å; S36-T59 PolarHBondContact O-N 3.45Å; S36-T59 PolarHBondContact O-OG1 2.83Å; S36-T59 VanDerWaalsContact O-OG1 3.08Å; V57-T59 HydrophobicContact CG1-CG2 4.17Å; T59-C68 HydrophobicContact CG2-CB 4.36Å
60H74.9Confident62.6Low16 Ų1671.8 Ų71.87%0.07436%0.355CS..EExtended strand (participates in β ladder)trans-105.1131.4164.359-78.2000109.1D31 Y32 L34 Y35 T66 C67 L69D31-H60 PolarHBondContact O-CD2 2.85Å; D31-H60 VanDerWaalsContact O-CD2 3.29Å; Y32-H60 HydrophobicContact CD1-CB 3.89Å; Y32-H60 AromaticContact CD1-CD2 3.63Å; Y32-H60 AromaticContact CD1-CG 3.81Å; Y32-H60 HydrophobicContact CE1-CB 4.24Å; Y32-H60 AromaticContact CE1-CD2 3.44Å; Y32-H60 VanDerWaalsContact CE1-CD2 3.44Å; Y32-H60 WeakPolarHBondContact CE1-CD2 3.5Å; Y32-H60 AromaticContact CE1-CE1 3.91Å; Y32-H60 AromaticContact CE1-CG 3.7Å; Y32-H60 AromaticContact CE1-ND1 3.99Å; Y32-H60 AromaticContact CE1-NE2 3.6Å; Y32-H60 AromaticContact CZ-CD2 3.92Å; Y32-H60 AromaticContact CZ-NE2 3.73Å; L34-H60 WeakPolarHBondContact O-CA 3.28Å; Y35-H60 HydrophobicContact CD1-CB 4.01Å; Y35-H60 HydrophobicContact CE1-CB 3.92Å; H60-T66 WeakPolarHBondContact O-CA 3.39Å; H60-C67 VanDerWaalsContact CE1-CB 3.43Å; H60-C67 WeakPolarHBondContact CE1-CB 3.45Å; H60-C67 PolarHBondContact N-O 2.97Å; H60-C67 PolarHBondContact ND1-O 3.34Å; H60-C67 WeakPolarHBondContact NE2-CB 3.39Å; H60-C67 PolarHBondContact O-N 3.03Å; H60-L69 HydrophobicContact CB-CD1 4.19Å; H60-L69 WeakPolarHBondContact ND1-CD2 3.43Å; H60-L69 VanDerWaalsContact ND1-CG 3.29Å; H60-L69 WeakPolarHBondContact ND1-CG 3.44Å
61S72.6Confident63.7Low16 Ų1668.3 Ų68.311%0.11234%0.339CS..EExtended strand (participates in β ladder)trans-111126.7174.8-68.10000109.3D31 W33 L34 T66D31-S61 CarbonylContact O-C 3.02Å; W33-S61 WeakPolarHBondContact CB-O 3.23Å; W33-S61 PolarHBondContact N-O 3.5Å; L34-S61 PolarHBondContact N-O 2.97Å; L34-S61 PolarHBondContact O-N 3.42Å; S61-T66 WeakPolarHBondContact CB-OG1 3.48Å; S61-T66 WeakPolarHBondContact OG-CG2 3.5Å; S61-T66 PolarHBondContact OG-OG1 3.38Å
62G77.1Confident64.6Low3 Ų370.7 Ų70.73%0.03134%0.343CS..  trans-85.4-158.1165.900000112.3D31 R65D31-G62 PolarHBondContact O-N 2.93Å; G62-R65 WeakPolarHBondContact CA-O 3.4Å; G62-R65 PolarHBondContact N-O 3.35Å
63L71.5Confident65.6Low10 Ų1064.9 Ų64.95%0.05232%0.318CS..SBendtrans-85.4-26.7172.4-162.759000111.6V28 W33 S105 P108 Y156V28-L63 HydrophobicContact CG1-CD2 4.17Å; V28-L63 HydrophobicContact CG2-CD2 4.47Å; W33-L63 HydrophobicContact CZ2-CD2 4.15Å; L63-S105 VanDerWaalsContact CG-CB 3.48Å; L63-P108 HydrophobicContact CD2-CB 4.34Å; L63-Y156 HydrophobicContact CD1-CD2 4.16Å; L63-Y156 HydrophobicContact CD1-CE2 4.29Å
64W75.7Confident66.9Low91 Ų9164 Ų6435%0.34531%0.314SS..SBendtrans-118.2-35.6-171.8-47.894.9000113.4V28 Q79 I80 S105 I109V28-W64 HydrophobicContact CG1-CZ2 4.36Å; V28-W64 PolarHBondContact O-NE1 3.09Å; V28-W64 VanDerWaalsContact O-NE1 3.12Å; W64-Q79 PolarHBondContact O-NE2 2.65Å; W64-I80 PolarHBondContact O-N 3.4Å; W64-S105 WeakPolarHBondContact CH2-OG 3.17Å; W64-I109 HydrophobicContact CH2-CD1 3.57Å; W64-I109 HydrophobicContact CH2-CG1 4.26Å; W64-I109 HydrophobicContact CZ2-CD1 4.01Å; W64-I109 HydrophobicContact CZ2-CG1 4.21Å
65R75.9Confident68.1Low129 Ų12960.2 Ų60.249%0.48731%0.308SS..EExtended strand (participates in β ladder)trans-133.6153.5-171.6-66.9175.3173.3-179-1.8110.7G62 K78G62-R65 WeakPolarHBondContact CA-O 3.4Å; G62-R65 PolarHBondContact N-O 3.35Å; R65-K78 WeakPolarHBondContact CA-O 3.31Å
66T77Confident69.2Low33 Ų3358.4 Ų58.420%0.20230%0.302CS..EExtended strand (participates in β ladder)trans-121.8133.6168.9-65.30000108.5H60 S61 C77 K78 I80H60-T66 WeakPolarHBondContact O-CA 3.39Å; S61-T66 WeakPolarHBondContact CB-OG1 3.48Å; S61-T66 WeakPolarHBondContact OG-CG2 3.5Å; S61-T66 PolarHBondContact OG-OG1 3.38Å; T66-C77 WeakPolarHBondContact O-CA 3.28Å; T66-K78 PolarHBondContact N-O 2.91Å; T66-K78 PolarHBondContact O-N 3.01Å; T66-I80 WeakPolarHBondContact OG1-CG1 3.36Å
67C77.6Confident70.2Confident5 Ų557.5 Ų57.53%0.03430%0.304CS..EExtended strand (participates in β ladder)trans-126.4137.6-176.6-58.90000110.8H60 L76 C77H60-C67 VanDerWaalsContact CE1-CB 3.43Å; H60-C67 WeakPolarHBondContact CE1-CB 3.45Å; H60-C67 PolarHBondContact N-O 2.97Å; H60-C67 PolarHBondContact ND1-O 3.34Å; H60-C67 WeakPolarHBondContact NE2-CB 3.39Å; H60-C67 PolarHBondContact O-N 3.03Å; C67-L76 WeakPolarHBondContact CA-O 3.36Å; C67-C77 HydrophobicContact CB-CB 4.13Å; C67-C77 WeakPolarHBondContact CB-SG 3.23Å; C67-C77 WeakPolarHBondContact SG-CB 3.42Å; C67-C77 CovalentContact SG-SG 2.04Å; C67-C77 PolarHBondContact SG-SG 2.87Å
68C76.9Confident70.8Confident9 Ų962.4 Ų62.46%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-89.9126.7-176.5-57.60000111.1C40 V57 T59 G75 L76C40-C68 HydrophobicContact CB-CB 3.91Å; C40-C68 WeakPolarHBondContact CB-SG 3.18Å; C40-C68 WeakPolarHBondContact SG-CB 3.38Å; C40-C68 CovalentContact SG-SG 2.04Å; C40-C68 PolarHBondContact SG-SG 3.49Å; V57-C68 HydrophobicContact CG1-CB 4.37Å; T59-C68 HydrophobicContact CG2-CB 4.36Å; C68-G75 PolarHBondContact O-N 3.4Å; C68-L76 PolarHBondContact N-O 3.39Å; C68-L76 VanDerWaalsContact N-O 3.14Å
69L70.6Confident71Confident60 Ų6063.7 Ų63.731%0.31433%0.33SS..  trans-90.2-21.8-176.5-71156000113.3Y35 M58 H60 K74Y35-L69 HydrophobicContact CD1-CD1 4.15Å; Y35-L69 HydrophobicContact CE1-CD1 4.02Å; M58-L69 WeakPolarHBondContact O-CB 3.37Å; M58-L69 PolarHBondContact O-N 3.2Å; H60-L69 HydrophobicContact CB-CD1 4.19Å; H60-L69 WeakPolarHBondContact ND1-CD2 3.43Å; H60-L69 VanDerWaalsContact ND1-CG 3.29Å; H60-L69 WeakPolarHBondContact ND1-CG 3.44Å; L69-K74 WeakPolarHBondContact O-CD 3.47Å; L69-K74 WeakPolarHBondContact O-CE 3.25Å; L69-K74 WeakPolarHBondContact O-CG 3.27Å
70E63.6Low70.7Confident100 Ų10065 Ų6547%0.46734%0.336SS..SBendtrans-141166.3-164-158.4153.6-145.400111.2V57V57-E70 HydrophobicContact CG1-CB 4.13Å; V57-E70 WeakPolarHBondContact CG1-O 3.45Å; V57-E70 WeakPolarHBondContact CG2-O 3.39Å
71G64.6Low69.6Low28 Ų2869.3 Ų69.329%0.28936%0.359SS..SBendtrans71.1-172.8-174.500000114.9F73 K74G71-F73 PolarHBondContact O-N 2.85Å; G71-F73 VanDerWaalsContact O-N 3.08Å; G71-K74 PolarHBondContact O-N 3.17Å
72N59.8Low68.8Low165 Ų16570.6 Ų70.688%0.88236%0.363SS*.THydrogen-bonded Turntrans-62.3-16-173-99.217.6000115.7
73F60.9Low67.2Low80 Ų8078.1 Ų78.135%0.35140%0.396SS..THydrogen-bonded Turntrans-111.228.9-177.4-60.6-70.4000112.7C40 T42 G71 G75 L76C40-F73 WeakPolarHBondContact O-CD2 3.49Å; T42-F73 HydrophobicContact CG2-CD1 3.88Å; T42-F73 HydrophobicContact CG2-CE1 3.69Å; T42-F73 HydrophobicContact CG2-CE2 4.48Å; T42-F73 HydrophobicContact CG2-CG 4.36Å; T42-F73 HydrophobicContact CG2-CZ 4.01Å; G71-F73 PolarHBondContact O-N 2.85Å; G71-F73 VanDerWaalsContact O-N 3.08Å; F73-G75 PolarHBondContact O-N 2.87Å; F73-L76 HydrophobicContact CB-CB 4.25Å; F73-L76 HydrophobicContact CB-CD1 4.45Å; F73-L76 HydrophobicContact CD1-CD1 4.03Å; F73-L76 VanDerWaalsContact O-CB 3.22Å; F73-L76 WeakPolarHBondContact O-CB 3.36Å; F73-L76 PolarHBondContact O-N 3.38Å
74K66.5Low66.2Low164 Ų16481.2 Ų81.271%0.71342%0.416SS*.THydrogen-bonded Turntrans-54.5127.4177.4-179.8169.9-174.6174.20111.8L69 G71 L76L69-K74 WeakPolarHBondContact O-CD 3.47Å; L69-K74 WeakPolarHBondContact O-CE 3.25Å; L69-K74 WeakPolarHBondContact O-CG 3.27Å; G71-K74 PolarHBondContact O-N 3.17Å; K74-L76 VanDerWaalsContact C-N 3.33Å
75G68.2Low64.8Low60 Ų6085.7 Ų85.762%0.61944%0.441SS*.THydrogen-bonded Turntrans85.1-1.1-178.700000114.8C68 F73 C77C68-G75 PolarHBondContact O-N 3.4Å; F73-G75 PolarHBondContact O-N 2.87Å; G75-C77 PolarHBondContact O-N 3.27Å
76L73Confident63.2Low78 Ų7886.5 Ų86.541%0.40846%0.455SS..  trans-78.7118.8174.8-152.5148.8000109.3T42 C67 C68 F73 K74T42-L76 HydrophobicContact CG2-CD1 4.19Å; C67-L76 WeakPolarHBondContact CA-O 3.36Å; C68-L76 PolarHBondContact N-O 3.39Å; C68-L76 VanDerWaalsContact N-O 3.14Å; F73-L76 HydrophobicContact CB-CB 4.25Å; F73-L76 HydrophobicContact CB-CD1 4.45Å; F73-L76 HydrophobicContact CD1-CD1 4.03Å; F73-L76 VanDerWaalsContact O-CB 3.22Å; F73-L76 WeakPolarHBondContact O-CB 3.36Å; F73-L76 PolarHBondContact O-N 3.38Å; K74-L76 VanDerWaalsContact C-N 3.33Å
77C74.2Confident61.8Low68 Ų6887.6 Ų87.646%0.45947%0.467SS..EExtended strand (participates in β ladder)trans-108.7128.5179-67.90000110T66 C67 G75T66-C77 WeakPolarHBondContact O-CA 3.28Å; C67-C77 HydrophobicContact CB-CB 4.13Å; C67-C77 WeakPolarHBondContact CB-SG 3.23Å; C67-C77 WeakPolarHBondContact SG-CB 3.42Å; C67-C77 CovalentContact SG-SG 2.04Å; C67-C77 PolarHBondContact SG-SG 2.87Å; G75-C77 PolarHBondContact O-N 3.27Å
78K71.4Confident60.2Low114 Ų11494.8 Ų94.850%0.49651%0.505SS..EExtended strand (participates in β ladder)trans-116.3140174.2-158.1-168168.4-167.60109.8R65 T66 D81R65-K78 WeakPolarHBondContact CA-O 3.31Å; T66-K78 PolarHBondContact N-O 2.91Å; T66-K78 PolarHBondContact O-N 3.01Å; K78-D81 WeakPolarHBondContact CE-OD2 3.43Å; K78-D81 IonicContact NZ-OD2 2.58Å; K78-D81 PolarHBondContact NZ-OD2 3.27Å
79Q68Low58.8Low96 Ų96105.1 Ų105.145%0.44955%0.545SS..EExtended strand (participates in β ladder)trans-60.1140.4163.9-15979.713.700108.3W64 D81W64-Q79 PolarHBondContact O-NE2 2.65Å; Q79-D81 PolarHBondContact O-N 2.84Å
80I64.1Low57.6Low41 Ų41111.5 Ų111.521%0.2157%0.573CS.*  trans-75.4110.4178.4-58.6172.1000108.2W64 T66 H82W64-I80 PolarHBondContact O-N 3.4Å; T66-I80 WeakPolarHBondContact OG1-CG1 3.36Å; I80-H82 VanDerWaalsContact CG2-CE1 3.45Å; I80-H82 WeakPolarHBondContact CG2-CE1 3.48Å; I80-H82 PolarHBondContact O-N 3.06Å; I80-H82 VanDerWaalsContact O-N 3.15Å; I80-H82 PolarHBondContact O-ND1 2.96Å
81D52.9Low57.1Low105 Ų105108 Ų10856%0.56156%0.561SS**  trans-72.7103.2171.2-62.8-32.3000108.1K78 Q79 F83K78-D81 WeakPolarHBondContact CE-OD2 3.43Å; K78-D81 IonicContact NZ-OD2 2.58Å; K78-D81 PolarHBondContact NZ-OD2 3.27Å; Q79-D81 PolarHBondContact O-N 2.84Å; D81-F83 PolarHBondContact O-N 3.43Å
82H55Low56.9Low43 Ų43112.9 Ų112.920%0.19958%0.581CS.*  trans-80-3.2-172.8-78.186.1000114.4I80 A103I80-H82 VanDerWaalsContact CG2-CE1 3.45Å; I80-H82 WeakPolarHBondContact CG2-CE1 3.48Å; I80-H82 PolarHBondContact O-N 3.06Å; I80-H82 VanDerWaalsContact O-N 3.15Å; I80-H82 PolarHBondContact O-ND1 2.96Å; H82-A103 HydrophobicContact CB-CB 3.6Å; H82-A103 VanDerWaalsContact CD2-CA 3.48Å; H82-A103 WeakPolarHBondContact CD2-CA 3.32Å; H82-A103 WeakPolarHBondContact CD2-CB 3.38Å; H82-A103 WeakPolarHBondContact NE2-CA 3.42Å
83F43.7Very low56.9Low162 Ų162111 Ų11171%0.71158%0.575SS**  trans-114.7103.2171.4-83.2-94.3000109.3D81 E85D81-F83 PolarHBondContact O-N 3.43Å; F83-E85 PolarHBondContact O-N 2.93Å
84P50.7Low56.8Low75 Ų75110 Ų11049%0.48758%0.582SS.*  trans-70.3111.1153.929.7-28.9000107.3D86 A87P84-D86 PolarHBondContact O-N 3.43Å; P84-A87 HydrophobicContact CG-CB 4.41Å
85E45.4Very low56.7Low185 Ų185105.9 Ų105.986%0.86457%0.565SS**THydrogen-bonded Turntrans-72.1-7.2-177.4-157.7162.2174.800112.9F83F83-E85 PolarHBondContact O-N 2.93Å
86D43Very low56.3Low146 Ų146107.6 Ų107.678%0.78155%0.554SS**THydrogen-bonded Turntrans-112.123.7-172.3-47.4-58.6000113.4P84P84-D86 PolarHBondContact O-N 3.43Å
87A48.2Very low55.7Low55 Ų55110.3 Ų110.346%0.45556%0.562SS.*SBendtrans-107.9116.617600000110.6P84P84-A87 HydrophobicContact CG-CB 4.41Å
88D43.3Very low55.2Low156 Ų156110.2 Ų110.283%0.83456%0.557SS**  trans-58.6156.1-168.8-65.5-64000115.1E90D88-E90 VanDerWaalsContact C-N 3.29Å; D88-E90 PolarHBondContact O-N 2.95Å
89Y47.1Very low54.7Low227 Ų227108.6 Ų108.689%0.8955%0.548SS*.SBendtrans-74.352-160.3-145.6-93.3000115.2
90E46.9Very low54.2Low193 Ų193106.4 Ų106.490%0.90255%0.546SS*.  trans-147.955.8167.7-79.6-143.3163.400112.9D88D88-E90 VanDerWaalsContact C-N 3.29Å; D88-E90 PolarHBondContact O-N 2.95Å
91A51.8Low54.1Low27 Ų27105.2 Ų105.222%0.22354%0.541CS..  trans-95.4131.1159.700000109.7E95 Y96A91-E95 HydrophobicContact CB-CB 4.46Å; A91-Y96 HydrophobicContact CB-CD2 4.05Å; A91-Y96 HydrophobicContact CB-CE2 3.58Å; A91-Y96 WeakPolarHBondContact O-CD2 3.32Å; A91-Y96 WeakPolarHBondContact O-CE2 3.35Å
92D60.8Low54.5Low131 Ų131103 Ų10370%0.70152%0.524SS*.  trans-54.5144176.5-97.1-46000110.5A94 E95 Y96D92-A94 PolarHBondContact O-N 3.01Å; D92-E95 PolarHBondContact O-N 3.48Å; D92-Y96 PolarHBondContact O-N 2.92Å
93T60Low54.6Low124 Ų124102.5 Ų102.576%0.76153%0.528SS*.Hα-helixtrans-53.9-26.517855.10000113F97T93-F97 VanDerWaalsContact O-CB 3.29Å; T93-F97 WeakPolarHBondContact O-CB 3.27Å; T93-F97 PolarHBondContact O-N 2.95Å
94A59Low55.4Low60 Ų6096.8 Ų96.850%0.49651%0.508SS..Hα-helixtrans-65.8-38.3171.700000113.8D92 F97 L98D92-A94 PolarHBondContact O-N 3.01Å; A94-F97 PolarHBondContact O-N 3.43Å; A94-L98 WeakPolarHBondContact O-CB 3.29Å; A94-L98 VanDerWaalsContact O-CG 3.27Å; A94-L98 WeakPolarHBondContact O-CG 3.34Å; A94-L98 PolarHBondContact O-N 3.21Å
95E63.3Low56.4Low78 Ų7893.4 Ų93.436%0.36449%0.486SS..Hα-helixtrans-71.8-43177.7-163.2-170.8155.500111.1A91 D92 F97 L98 R99A91-E95 HydrophobicContact CB-CB 4.46Å; D92-E95 PolarHBondContact O-N 3.48Å; E95-F97 VanDerWaalsContact C-N 3.3Å; E95-F97 PolarHBondContact O-N 3.27Å; E95-L98 PolarHBondContact O-N 2.98Å; E95-R99 WeakPolarHBondContact O-CB 3.33Å; E95-R99 WeakPolarHBondContact O-CG 3.39Å; E95-R99 PolarHBondContact O-N 3.39Å; E95-R99 IonicContact OE1-CZ 3.1Å; E95-R99 IonicContact OE1-NE 3.06Å; E95-R99 PolarHBondContact OE1-NE 3.46Å; E95-R99 IonicContact OE1-NH2 2.61Å; E95-R99 PolarHBondContact OE1-NH2 3.17Å
96Y60.5Low58.3Low96 Ų9688.5 Ų88.538%0.37647%0.465SS..Hα-helixtrans-58.4-42.4170.7-75-67.4000111.7A91 D92 R99 A100A91-Y96 HydrophobicContact CB-CD2 4.05Å; A91-Y96 HydrophobicContact CB-CE2 3.58Å; A91-Y96 WeakPolarHBondContact O-CD2 3.32Å; A91-Y96 WeakPolarHBondContact O-CE2 3.35Å; D92-Y96 PolarHBondContact O-N 2.92Å; Y96-R99 PolarHBondContact O-N 3.49Å; Y96-A100 WeakPolarHBondContact O-CB 3.38Å; Y96-A100 PolarHBondContact O-N 2.85Å
97F60.8Low60.4Low135 Ų13584.6 Ų84.659%0.59244%0.441SS*.Hα-helixtrans-62.7-46.4176-177-102.2000112T93 A94 E95 R99 A100 V101T93-F97 VanDerWaalsContact O-CB 3.29Å; T93-F97 WeakPolarHBondContact O-CB 3.27Å; T93-F97 PolarHBondContact O-N 2.95Å; A94-F97 PolarHBondContact O-N 3.43Å; E95-F97 VanDerWaalsContact C-N 3.3Å; E95-F97 PolarHBondContact O-N 3.27Å; F97-R99 PolarHBondContact O-N 2.93Å; F97-A100 PolarHBondContact O-N 2.93Å; F97-V101 HydrophobicContact CD1-CG2 4.11Å; F97-V101 HydrophobicContact CD2-CG2 4.42Å; F97-V101 HydrophobicContact CE1-CG2 3.77Å; F97-V101 HydrophobicContact CE2-CG2 4.1Å; F97-V101 HydrophobicContact CG-CG2 4.43Å; F97-V101 HydrophobicContact CZ-CG2 3.76Å; F97-V101 WeakPolarHBondContact O-CB 3.33Å; F97-V101 VanDerWaalsContact O-CG2 3.28Å; F97-V101 WeakPolarHBondContact O-CG2 3.31Å; F97-V101 PolarHBondContact O-N 3.28Å
98L63Low62.3Low65 Ų6582.3 Ų82.334%0.3442%0.421SS..Hα-helixtrans-62.6-39.7176.9-72.9168.3000112.3A94 E95 R102 V155A94-L98 WeakPolarHBondContact O-CB 3.29Å; A94-L98 VanDerWaalsContact O-CG 3.27Å; A94-L98 WeakPolarHBondContact O-CG 3.34Å; A94-L98 PolarHBondContact O-N 3.21Å; E95-L98 PolarHBondContact O-N 2.98Å; L98-R102 WeakPolarHBondContact O-CB 3.34Å; L98-R102 PolarHBondContact O-N 3.44Å; L98-V155 HydrophobicContact CD2-CG1 4.13Å
99R61.3Low64.5Low81 Ų8177.5 Ų77.531%0.30640%0.395SS..Hα-helixtrans-64.5-41.4173.4-71.4177.9-176.9-162.3-0.3111.9E95 Y96 F97 R102 A103E95-R99 WeakPolarHBondContact O-CB 3.33Å; E95-R99 WeakPolarHBondContact O-CG 3.39Å; E95-R99 PolarHBondContact O-N 3.39Å; E95-R99 IonicContact OE1-CZ 3.1Å; E95-R99 IonicContact OE1-NE 3.06Å; E95-R99 PolarHBondContact OE1-NE 3.46Å; E95-R99 IonicContact OE1-NH2 2.61Å; E95-R99 PolarHBondContact OE1-NH2 3.17Å; Y96-R99 PolarHBondContact O-N 3.49Å; F97-R99 PolarHBondContact O-N 2.93Å; R99-R102 PolarHBondContact O-N 2.83Å; R99-A103 WeakPolarHBondContact O-CB 3.46Å; R99-A103 PolarHBondContact O-N 3.19Å
100A57.4Low66.6Low49 Ų4970.4 Ų70.441%0.40537%0.372SS..Hα-helixtrans-68.9-39177.300000113.1Y96 F97 A103 S104Y96-A100 WeakPolarHBondContact O-CB 3.38Å; Y96-A100 PolarHBondContact O-N 2.85Å; F97-A100 PolarHBondContact O-N 2.93Å; A100-A103 PolarHBondContact O-N 3.41Å; A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 3Å; A100-S104 PolarHBondContact O-OG 3.48Å
101V61.6Low68.8Low17 Ų1761.2 Ų61.210%0.10333%0.329CS..Hα-helixtrans-66.2-39.3174.71710000111.1F97 S104 S105 F107 V155F97-V101 HydrophobicContact CD1-CG2 4.11Å; F97-V101 HydrophobicContact CD2-CG2 4.42Å; F97-V101 HydrophobicContact CE1-CG2 3.77Å; F97-V101 HydrophobicContact CE2-CG2 4.1Å; F97-V101 HydrophobicContact CG-CG2 4.43Å; F97-V101 HydrophobicContact CZ-CG2 3.76Å; F97-V101 WeakPolarHBondContact O-CB 3.33Å; F97-V101 VanDerWaalsContact O-CG2 3.28Å; F97-V101 WeakPolarHBondContact O-CG2 3.31Å; F97-V101 PolarHBondContact O-N 3.28Å; V101-S104 PolarHBondContact O-OG 2.89Å; V101-S105 PolarHBondContact O-N 3.27Å; V101-F107 HydrophobicContact CG1-CD2 3.62Å; V101-F107 HydrophobicContact CG1-CE2 3.5Å; V101-F107 VanDerWaalsContact CG1-CE2 3.5Å; V101-V155 HydrophobicContact CB-CG1 4.39Å; V101-V155 HydrophobicContact CG1-CG1 3.77Å
102R62.3Low70.8Confident58 Ų5861.2 Ų61.222%0.21933%0.326CS..Hα-helixtrans-60.5-50.5170.3175.6-174.4176.7148.411.2111.4L98 R99 S104 S105 A159 N160L98-R102 WeakPolarHBondContact O-CB 3.34Å; L98-R102 PolarHBondContact O-N 3.44Å; R99-R102 PolarHBondContact O-N 2.83Å; R102-S104 VanDerWaalsContact C-N 3.32Å; R102-S104 PolarHBondContact O-N 3.35Å; R102-S105 PolarHBondContact O-N 3.23Å; R102-A159 HydrophobicContact CB-CB 4.36Å; R102-A159 PolarHBondContact NH1-O 2.89Å; R102-N160 PolarHBondContact NH1-OD1 2.8Å; R102-N160 PolarHBondContact NH2-OD1 3.27Å
103A56.1Low72.4Confident33 Ų3359.3 Ų59.327%0.27332%0.315SS..Hα-helixtrans-60.6-39-176.400000114H82 R99 A100H82-A103 HydrophobicContact CB-CB 3.6Å; H82-A103 VanDerWaalsContact CD2-CA 3.48Å; H82-A103 WeakPolarHBondContact CD2-CA 3.32Å; H82-A103 WeakPolarHBondContact CD2-CB 3.38Å; H82-A103 WeakPolarHBondContact NE2-CA 3.42Å; R99-A103 WeakPolarHBondContact O-CB 3.46Å; R99-A103 PolarHBondContact O-N 3.19Å; A100-A103 PolarHBondContact O-N 3.41Å
104S60.4Low74.1Confident41 Ų4155.5 Ų55.529%0.28729%0.29SS..Hα-helixtrans-87-19.8-177.958.70000112.7A100 V101 R102 I106 I109A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 3Å; A100-S104 PolarHBondContact O-OG 3.48Å; V101-S104 PolarHBondContact O-OG 2.89Å; R102-S104 VanDerWaalsContact C-N 3.32Å; R102-S104 PolarHBondContact O-N 3.35Å; S104-I106 PolarHBondContact O-N 3.03Å; S104-I106 VanDerWaalsContact OG-CD1 3.23Å; S104-I106 WeakPolarHBondContact OG-CD1 3.26Å; S104-I106 WeakPolarHBondContact OG-CG1 3.44Å; S104-I109 VanDerWaalsContact O-CD1 3.26Å; S104-I109 WeakPolarHBondContact O-CD1 3.37Å
105S73.1Confident75.8Confident4 Ų452.8 Ų52.83%0.02827%0.267CS..THydrogen-bonded Turntrans47.632.2-178.470.30000114.7L63 W64 V101 R102 F107 P108 I109L63-S105 VanDerWaalsContact CG-CB 3.48Å; W64-S105 WeakPolarHBondContact CH2-OG 3.17Å; V101-S105 PolarHBondContact O-N 3.27Å; R102-S105 PolarHBondContact O-N 3.23Å; S105-F107 VanDerWaalsContact C-N 3.3Å; S105-F107 PolarHBondContact O-N 3.32Å; S105-P108 VanDerWaalsContact O-CD 3.24Å; S105-P108 WeakPolarHBondContact O-CD 3.32Å; S105-I109 WeakPolarHBondContact O-CD1 3.29Å; S105-I109 VanDerWaalsContact O-CG1 3.28Å; S105-I109 WeakPolarHBondContact O-CG1 3.42Å; S105-I109 PolarHBondContact O-N 3.12Å; S105-I109 VanDerWaalsContact O-N 3.13Å; S105-I109 WeakPolarHBondContact OG-CD1 3.35Å
106I83.9Confident77.3Confident82 Ų8254.1 Ų54.142%0.42127%0.272SS..Hα-helixtrans-56.5-42.2-171.6-71.2163.8000111.6S104 I109 L110S104-I106 PolarHBondContact O-N 3.03Å; S104-I106 VanDerWaalsContact OG-CD1 3.23Å; S104-I106 WeakPolarHBondContact OG-CD1 3.26Å; S104-I106 WeakPolarHBondContact OG-CG1 3.44Å; I106-I109 PolarHBondContact O-N 3.06Å; I106-L110 HydrophobicContact CG2-CD1 3.54Å; I106-L110 HydrophobicContact CG2-CG 3.97Å; I106-L110 WeakPolarHBondContact O-CB 3.4Å; I106-L110 VanDerWaalsContact O-CG 3.23Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 2.86Å
107F87.8Confident79Confident65 Ų6553.7 Ų53.729%0.28527%0.274SS..Hα-helixtrans-64.9-50.5-177-63.3-58.4000113.3V101 S105 I109 L110 S111 I151V101-F107 HydrophobicContact CG1-CD2 3.62Å; V101-F107 HydrophobicContact CG1-CE2 3.5Å; V101-F107 VanDerWaalsContact CG1-CE2 3.5Å; S105-F107 VanDerWaalsContact C-N 3.3Å; S105-F107 PolarHBondContact O-N 3.32Å; F107-I109 PolarHBondContact O-N 3.35Å; F107-L110 PolarHBondContact O-N 2.98Å; F107-S111 PolarHBondContact O-N 3.21Å; F107-I151 HydrophobicContact CD1-CG2 4.36Å; F107-I151 HydrophobicContact CD2-CG2 3.98Å; F107-I151 HydrophobicContact CE2-CG2 4.15Å; F107-I151 HydrophobicContact CG-CG2 4.09Å; F107-I151 HydrophobicContact CZ-CG2 4.43Å
108P87.5Confident80.6Confident7 Ų747.3 Ų47.35%0.04525%0.246CC..Hα-helixtrans-56-43168.7-29.435.5000114.4V28 L63 S105 S111 V112V28-P108 HydrophobicContact CG2-CB 4.09Å; L63-P108 HydrophobicContact CD2-CB 4.34Å; S105-P108 VanDerWaalsContact O-CD 3.24Å; S105-P108 WeakPolarHBondContact O-CD 3.32Å; P108-S111 WeakPolarHBondContact O-CB 3.36Å; P108-S111 PolarHBondContact O-N 3.41Å; P108-S111 PolarHBondContact O-OG 3.43Å; P108-V112 PolarHBondContact O-N 3.49Å; P108-V112 VanDerWaalsContact O-N 3.07Å
109I89.3Confident82Confident54 Ų5445.4 Ų45.428%0.27724%0.242SC..Hα-helixtrans-63.6-47.3179.7-61.6161.4000111.1W64 S104 S105 I106 F107 S111 V112 I113W64-I109 HydrophobicContact CH2-CD1 3.57Å; W64-I109 HydrophobicContact CH2-CG1 4.26Å; W64-I109 HydrophobicContact CZ2-CD1 4.01Å; W64-I109 HydrophobicContact CZ2-CG1 4.21Å; S104-I109 VanDerWaalsContact O-CD1 3.26Å; S104-I109 WeakPolarHBondContact O-CD1 3.37Å; S105-I109 WeakPolarHBondContact O-CD1 3.29Å; S105-I109 VanDerWaalsContact O-CG1 3.28Å; S105-I109 WeakPolarHBondContact O-CG1 3.42Å; S105-I109 PolarHBondContact O-N 3.12Å; S105-I109 VanDerWaalsContact O-N 3.13Å; S105-I109 WeakPolarHBondContact OG-CD1 3.35Å; I106-I109 PolarHBondContact O-N 3.06Å; F107-I109 PolarHBondContact O-N 3.35Å; I109-S111 PolarHBondContact O-N 2.92Å; I109-V112 PolarHBondContact O-N 3.47Å; I109-V112 VanDerWaalsContact O-N 3.14Å; I109-I113 HydrophobicContact CG2-CD1 3.98Å; I109-I113 WeakPolarHBondContact O-CG1 3.45Å; I109-I113 PolarHBondContact O-N 2.97Å
110L91Very high83.5Confident79 Ų7945.6 Ų45.641%0.41425%0.249SC..Hα-helixtrans-59.4-37.6175.5-71.8176.9000111.1I106 F107 I113 L114I106-L110 HydrophobicContact CG2-CD1 3.54Å; I106-L110 HydrophobicContact CG2-CG 3.97Å; I106-L110 WeakPolarHBondContact O-CB 3.4Å; I106-L110 VanDerWaalsContact O-CG 3.23Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 2.86Å; F107-L110 PolarHBondContact O-N 2.98Å; L110-I113 PolarHBondContact O-N 3.05Å; L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 VanDerWaalsContact O-CG 3.26Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 3.24Å
111S93.6Very high85.2Confident0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-62.7-41.4175.182.60000112.6F107 P108 I109 I113 L114 L115 A145 S148F107-S111 PolarHBondContact O-N 3.21Å; P108-S111 WeakPolarHBondContact O-CB 3.36Å; P108-S111 PolarHBondContact O-N 3.41Å; P108-S111 PolarHBondContact O-OG 3.43Å; I109-S111 PolarHBondContact O-N 2.92Å; S111-I113 PolarHBondContact O-N 3.34Å; S111-L114 PolarHBondContact O-N 3.42Å; S111-L115 WeakPolarHBondContact O-CB 3.48Å; S111-L115 VanDerWaalsContact O-CG 3.32Å; S111-L115 WeakPolarHBondContact O-CG 3.33Å; S111-L115 PolarHBondContact O-N 3.36Å; S111-A145 WeakPolarHBondContact CB-O 3.2Å; S111-S148 WeakPolarHBondContact CB-OG 3.24Å
112V93.9Very high86.6Confident27 Ų2744 Ų4416%0.16424%0.235CC..Hα-helixtrans-62.5-43174.9175.80000111F21 M24 V28 P108 I109 L115 F116F21-V112 HydrophobicContact CD2-CG1 4.48Å; F21-V112 HydrophobicContact CE2-CG1 3.82Å; M24-V112 HydrophobicContact CB-CG2 4.25Å; M24-V112 HydrophobicContact CG-CG2 3.39Å; V28-V112 HydrophobicContact CG2-CG2 4.04Å; P108-V112 PolarHBondContact O-N 3.49Å; P108-V112 VanDerWaalsContact O-N 3.07Å; I109-V112 PolarHBondContact O-N 3.47Å; I109-V112 VanDerWaalsContact O-N 3.14Å; V112-L115 PolarHBondContact O-N 3.36Å; V112-F116 WeakPolarHBondContact O-CB 3.48Å; V112-F116 PolarHBondContact O-N 2.85Å
113I94.8Very high87.9Confident90 Ų9043.1 Ų43.146%0.46224%0.239SC..Hα-helixtrans-65.1-43178.2-64.5167000110.7I109 L110 S111 F116 M117I109-I113 HydrophobicContact CG2-CD1 3.98Å; I109-I113 WeakPolarHBondContact O-CG1 3.45Å; I109-I113 PolarHBondContact O-N 2.97Å; L110-I113 PolarHBondContact O-N 3.05Å; S111-I113 PolarHBondContact O-N 3.34Å; I113-F116 PolarHBondContact O-N 3.45Å; I113-M117 WeakPolarHBondContact O-CG 3.36Å; I113-M117 PolarHBondContact O-N 3.35Å
114L94.9Very high89.6Confident45 Ų4543.1 Ų43.124%0.23624%0.239CC..Hα-helixtrans-67.9-38177.4-70.5169.8000112.1L110 S111 M117 G118 F141 A145L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 VanDerWaalsContact O-CG 3.26Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 3.24Å; S111-L114 PolarHBondContact O-N 3.42Å; L114-M117 PolarHBondContact O-N 2.84Å; L114-G118 PolarHBondContact O-N 3.42Å; L114-F141 HydrophobicContact CD2-CD1 4.2Å; L114-A145 HydrophobicContact CB-CB 3.6Å
115L95.3Very high90.8Very high2 Ų242.3 Ų42.31%0.0123%0.234CC..Hα-helixtrans-61.8-43170.8-74.5179.2000111.7F21 M24 S111 V112 G118 G119 F142 A145 A190F21-L115 HydrophobicContact CD2-CB 4.15Å; M24-L115 HydrophobicContact CB-CD1 3.91Å; M24-L115 HydrophobicContact CE-CD1 3.82Å; M24-L115 HydrophobicContact CG-CD1 4.2Å; S111-L115 WeakPolarHBondContact O-CB 3.48Å; S111-L115 VanDerWaalsContact O-CG 3.32Å; S111-L115 WeakPolarHBondContact O-CG 3.33Å; S111-L115 PolarHBondContact O-N 3.36Å; V112-L115 PolarHBondContact O-N 3.36Å; L115-G118 PolarHBondContact O-N 2.97Å; L115-G119 PolarHBondContact O-N 3.21Å; L115-F142 HydrophobicContact CD2-CD1 3.71Å; L115-F142 HydrophobicContact CD2-CE1 3.42Å; L115-F142 VanDerWaalsContact CD2-CE1 3.42Å; L115-F142 HydrophobicContact CD2-CZ 4.02Å; L115-A145 HydrophobicContact CD2-CB 3.74Å; L115-A145 HydrophobicContact CG-CB 3.77Å; L115-A190 HydrophobicContact CD2-CB 3.8Å
116F95.7Very high91.3Very high106 Ų10647.1 Ų47.147%0.46526%0.256SS..Hα-helixtrans-63-48.7177.2-177.6-109.1000111.5F21 V112 I113 G118 G119 L120F21-F116 HydrophobicContact CD2-CB 4.32Å; F21-F116 HydrophobicContact CE2-CB 3.82Å; F21-F116 HydrophobicContact CE2-CD2 4.12Å; F21-F116 HydrophobicContact CE2-CG 4.41Å; F21-F116 HydrophobicContact CZ-CD2 4.05Å; V112-F116 WeakPolarHBondContact O-CB 3.48Å; V112-F116 PolarHBondContact O-N 2.85Å; I113-F116 PolarHBondContact O-N 3.45Å; F116-G118 PolarHBondContact O-N 2.93Å; F116-G119 PolarHBondContact O-N 3.35Å; F116-L120 HydrophobicContact CD1-CD1 3.97Å; F116-L120 HydrophobicContact CD1-CG 4.49Å; F116-L120 HydrophobicContact CE1-CD1 3.49Å; F116-L120 VanDerWaalsContact CE1-CD1 3.49Å; F116-L120 HydrophobicContact CE1-CG 4.19Å; F116-L120 HydrophobicContact CZ-CD1 3.86Å; F116-L120 HydrophobicContact CZ-CD2 4.35Å; F116-L120 HydrophobicContact CZ-CG 4.19Å; F116-L120 WeakPolarHBondContact O-CG 3.47Å; F116-L120 PolarHBondContact O-N 3.02Å
117M94.8Very high91.4Very high88 Ų8851.3 Ų51.343%0.43327%0.271SS..Hα-helixtrans-62.8-40.9176.1-69.6-59.2-65.300112I113 L114 L120 C121I113-M117 WeakPolarHBondContact O-CG 3.36Å; I113-M117 PolarHBondContact O-N 3.35Å; L114-M117 PolarHBondContact O-N 2.84Å; M117-L120 PolarHBondContact O-N 3.21Å; M117-L120 HydrophobicContact SD-CD1 4.24Å; M117-C121 PolarHBondContact O-N 2.7Å; M117-C121 PolarHBondContact O-SG 3.3Å
118G94.6Very high91Very high0 Ų055.4 Ų55.40%029%0.286CS..Hα-helixtrans-59.5-45.9172.800000112.2L114 L115 F116 C121 I122L114-G118 PolarHBondContact O-N 3.42Å; L115-G118 PolarHBondContact O-N 2.97Å; F116-G118 PolarHBondContact O-N 2.93Å; G118-C121 WeakPolarHBondContact O-CB 3.22Å; G118-C121 PolarHBondContact O-N 2.87Å; G118-I122 WeakPolarHBondContact O-CG1 3.37Å; G118-I122 PolarHBondContact O-N 2.9Å
119G93.4Very high90.3Very high25 Ų2562.1 Ų62.126%0.25832%0.315SS..Hα-helixtrans-62.1-43.417600000112.9L115 F116 C121 I122 A123L115-G119 PolarHBondContact O-N 3.21Å; F116-G119 PolarHBondContact O-N 3.35Å; G119-C121 VanDerWaalsContact C-N 3.33Å; G119-C121 PolarHBondContact O-N 3.01Å; G119-I122 PolarHBondContact O-N 3.33Å; G119-A123 PolarHBondContact O-N 3.18Å
120L93.1Very high89.2Confident85 Ų8565 Ų6545%0.44533%0.334SS..Hα-helixtrans-60.9-40.2171.8-71.6-179.4000111.9F116 M117 A123 A124F116-L120 HydrophobicContact CD1-CD1 3.97Å; F116-L120 HydrophobicContact CD1-CG 4.49Å; F116-L120 HydrophobicContact CE1-CD1 3.49Å; F116-L120 VanDerWaalsContact CE1-CD1 3.49Å; F116-L120 HydrophobicContact CE1-CG 4.19Å; F116-L120 HydrophobicContact CZ-CD1 3.86Å; F116-L120 HydrophobicContact CZ-CD2 4.35Å; F116-L120 HydrophobicContact CZ-CG 4.19Å; F116-L120 WeakPolarHBondContact O-CG 3.47Å; F116-L120 PolarHBondContact O-N 3.02Å; M117-L120 PolarHBondContact O-N 3.21Å; M117-L120 HydrophobicContact SD-CD1 4.24Å; L120-A123 PolarHBondContact O-N 2.9Å; L120-A124 VanDerWaalsContact O-CB 3.22Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 2.68Å
121C92.7Very high88.5Confident23 Ų2369.8 Ų69.816%0.15535%0.347CS..Hα-helixtrans-66-36.8174.4-68.30000112.5M117 G118 G119 S125 I134 A138M117-C121 PolarHBondContact O-N 2.7Å; M117-C121 PolarHBondContact O-SG 3.3Å; G118-C121 WeakPolarHBondContact O-CB 3.22Å; G118-C121 PolarHBondContact O-N 2.87Å; G119-C121 VanDerWaalsContact C-N 3.33Å; G119-C121 PolarHBondContact O-N 3.01Å; C121-S125 VanDerWaalsContact O-CB 3.32Å; C121-S125 WeakPolarHBondContact O-CB 3.45Å; C121-S125 PolarHBondContact O-N 3.15Å; C121-I134 HydrophobicContact CB-CG2 4.31Å; C121-I134 WeakPolarHBondContact O-CG2 3.37Å; C121-A138 HydrophobicContact CB-CB 3.6Å
122I91Very high87.7Confident11 Ų1172.3 Ų72.36%0.05636%0.359CS..Hα-helixtrans-62.7-51.9173.4-66.4168000109.8T13 T14 A17 G118 G119 A124 S125 E126 A138 F142 V193T13-I122 HydrophobicContact CG2-CD1 4.14Å; T14-I122 HydrophobicContact CG2-CG2 3.69Å; A17-I122 HydrophobicContact CB-CD1 3.83Å; G118-I122 WeakPolarHBondContact O-CG1 3.37Å; G118-I122 PolarHBondContact O-N 2.9Å; G119-I122 PolarHBondContact O-N 3.33Å; I122-A124 PolarHBondContact O-N 2.92Å; I122-S125 WeakPolarHBondContact O-CB 3.38Å; I122-S125 PolarHBondContact O-N 3.4Å; I122-S125 PolarHBondContact O-OG 3.43Å; I122-E126 PolarHBondContact O-N 2.89Å; I122-A138 HydrophobicContact CG1-CB 3.97Å; I122-F142 HydrophobicContact CD1-CD2 3.98Å; I122-F142 HydrophobicContact CD1-CE2 3.51Å; I122-F142 HydrophobicContact CD1-CZ 4.28Å; I122-V193 HydrophobicContact CD1-CG1 4.35Å
123A90.2Very high87.2Confident38 Ų3877 Ų7731%0.31438%0.383SS..Hα-helixtrans-58.6-46.5178.100000111.7G119 L120 S125 E126 F127G119-A123 PolarHBondContact O-N 3.18Å; L120-A123 PolarHBondContact O-N 2.9Å; A123-S125 VanDerWaalsContact C-N 3.26Å; A123-S125 PolarHBondContact O-N 2.96Å; A123-E126 WeakPolarHBondContact O-CB 3.41Å; A123-E126 PolarHBondContact O-N 3.25Å; A123-E126 VanDerWaalsContact O-N 3.14Å; A123-F127 WeakPolarHBondContact O-CD2 3.14Å; A123-F127 PolarHBondContact O-N 3.21Å
124A89.8Confident86.9Confident33 Ų3374.7 Ų74.727%0.27337%0.371SS..Hα-helixtrans-61.7-31.9175.300000112.9L120 I122 E126 F127 Y128L120-A124 VanDerWaalsContact O-CB 3.22Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 2.68Å; I122-A124 PolarHBondContact O-N 2.92Å; A124-E126 VanDerWaalsContact C-N 3.3Å; A124-E126 PolarHBondContact O-N 3.05Å; A124-F127 PolarHBondContact O-N 2.91Å; A124-Y128 WeakPolarHBondContact O-CB 3.24Å; A124-Y128 WeakPolarHBondContact O-CD2 3.4Å; A124-Y128 PolarHBondContact O-N 3.45Å
125S87.6Confident86.7Confident24 Ų2473.6 Ų73.617%0.16837%0.365CS..Hα-helixtrans-70.2-24.817781.10000113.5C121 I122 A123C121-S125 VanDerWaalsContact O-CB 3.32Å; C121-S125 WeakPolarHBondContact O-CB 3.45Å; C121-S125 PolarHBondContact O-N 3.15Å; I122-S125 WeakPolarHBondContact O-CB 3.38Å; I122-S125 PolarHBondContact O-N 3.4Å; I122-S125 PolarHBondContact O-OG 3.43Å; A123-S125 VanDerWaalsContact C-N 3.26Å; A123-S125 PolarHBondContact O-N 2.96Å
126E83.6Confident86.4Confident105 Ų10576.8 Ų76.849%0.49138%0.382SS..Hα-helixtrans-71.6-46.8174.2-174.1164.9-162.700111.1M10 I122 A123 A124M10-E126 HydrophobicContact CE-CG 3.95Å; M10-E126 VanDerWaalsContact CE-OE1 3.25Å; M10-E126 WeakPolarHBondContact CE-OE1 3.39Å; I122-E126 PolarHBondContact O-N 2.89Å; A123-E126 WeakPolarHBondContact O-CB 3.41Å; A123-E126 PolarHBondContact O-N 3.25Å; A123-E126 VanDerWaalsContact O-N 3.14Å; A124-E126 VanDerWaalsContact C-N 3.3Å; A124-E126 PolarHBondContact O-N 3.05Å
127F84.4Confident86.3Confident170 Ų17073.5 Ų73.575%0.74637%0.372SS*.Hα-helixtrans-66.9-47.8173.9-64.1-72.8000112.3A123 A124 K129A123-F127 WeakPolarHBondContact O-CD2 3.14Å; A123-F127 PolarHBondContact O-N 3.21Å; A124-F127 PolarHBondContact O-N 2.91Å; F127-K129 PolarHBondContact O-N 3.49Å
128Y80.3Confident86.2Confident151 Ų15169.3 Ų69.359%0.59235%0.352SS*.THydrogen-bonded Turntrans-97.854.6-175.8-63.9-72.8000113A124 T130 R131A124-Y128 WeakPolarHBondContact O-CB 3.24Å; A124-Y128 WeakPolarHBondContact O-CD2 3.4Å; A124-Y128 PolarHBondContact O-N 3.45Å; Y128-T130 PolarHBondContact O-N 3.47Å; Y128-R131 PolarHBondContact O-N 3.14Å
129K73Confident86.1Confident149 Ų14969.3 Ų69.365%0.64835%0.352SS*.THydrogen-bonded Turntrans-53.6-14.2-179.4-160.5167-169.41630115.5F127 H132F127-K129 PolarHBondContact O-N 3.49Å; K129-H132 PolarHBondContact O-CE1 3.44Å; K129-H132 VanDerWaalsContact O-CE1 3.23Å
130T65.7Low86.2Confident113 Ų11372.7 Ų72.769%0.69336%0.363SS*.THydrogen-bonded Turntrans-80.7-21.517756.10000114.2Y128Y128-T130 PolarHBondContact O-N 3.47Å
131R77.2Confident86.3Confident180 Ų18072 Ų7268%0.67936%0.357SS*.  trans-10584.9-175.1-68.1-66.4-166.5169.33.9111.4Y128 N133 I134Y128-R131 PolarHBondContact O-N 3.14Å; R131-N133 PolarHBondContact O-N 3.31Å; R131-I134 HydrophobicContact CB-CD1 3.61Å; R131-I134 HydrophobicContact CB-CG1 3.87Å; R131-I134 HydrophobicContact CG-CD1 4.41Å; R131-I134 PolarHBondContact O-N 3.3Å; R131-I134 VanDerWaalsContact O-N 3.12Å
132H75.1Confident86.4Confident53 Ų5371 Ų7125%0.24535%0.349CS..THydrogen-bonded Turntrans-63.7-15-175.7-51.7-35.1000115K129 I134 I135 F201 L208K129-H132 PolarHBondContact O-CE1 3.44Å; K129-H132 VanDerWaalsContact O-CE1 3.23Å; H132-I134 VanDerWaalsContact C-N 3.31Å; H132-I134 PolarHBondContact O-N 2.66Å; H132-I135 VanDerWaalsContact O-CG2 3.32Å; H132-I135 WeakPolarHBondContact O-CG2 3.37Å; H132-F201 WeakPolarHBondContact O-CD2 3.29Å; H132-F201 WeakPolarHBondContact O-CE2 3.35Å; H132-L208 WeakPolarHBondContact CD2-CD1 3.49Å
133N83.8Confident86.6Confident127 Ų12772.6 Ų72.668%0.67936%0.36SS*.Hα-helixtrans-70.8-26.3176.1-59.42.5000112.4R131 I135 L136 S137R131-N133 PolarHBondContact O-N 3.31Å; N133-I135 PolarHBondContact O-N 2.91Å; N133-L136 PolarHBondContact O-N 3.34Å; N133-S137 PolarHBondContact O-N 2.96Å; N133-S137 PolarHBondContact O-OG 2.85Å
134I89.8Confident86.8Confident40 Ų4072.8 Ų72.821%0.20536%0.358CS..Hα-helixtrans-64.1-41-174.2-59.7177.6000111.5C121 R131 H132 L136 S137 A138C121-I134 HydrophobicContact CB-CG2 4.31Å; C121-I134 WeakPolarHBondContact O-CG2 3.37Å; R131-I134 HydrophobicContact CB-CD1 3.61Å; R131-I134 HydrophobicContact CB-CG1 3.87Å; R131-I134 HydrophobicContact CG-CD1 4.41Å; R131-I134 PolarHBondContact O-N 3.3Å; R131-I134 VanDerWaalsContact O-N 3.12Å; H132-I134 VanDerWaalsContact C-N 3.31Å; H132-I134 PolarHBondContact O-N 2.66Å; I134-L136 VanDerWaalsContact C-N 3.35Å; I134-S137 WeakPolarHBondContact CA-OG 3.26Å; I134-S137 PolarHBondContact O-N 3Å; I134-S137 PolarHBondContact O-OG 3.29Å; I134-A138 WeakPolarHBondContact O-CB 3.29Å; I134-A138 PolarHBondContact O-N 3.36Å
135I89.6Confident87.1Confident22 Ų2271.2 Ų71.211%0.11335%0.345CS..Hα-helixtrans-70.6-30.3178.4-174.8167000112.5H132 N133 A138 G139 A197 M200 F201H132-I135 VanDerWaalsContact O-CG2 3.32Å; H132-I135 WeakPolarHBondContact O-CG2 3.37Å; N133-I135 PolarHBondContact O-N 2.91Å; I135-A138 PolarHBondContact O-N 3.3Å; I135-G139 PolarHBondContact O-N 3.16Å; I135-A197 HydrophobicContact CG1-CB 4.42Å; I135-M200 HydrophobicContact CD1-CB 4.19Å; I135-M200 HydrophobicContact CD1-CE 3.48Å; I135-M200 VanDerWaalsContact CD1-CE 3.48Å; I135-M200 HydrophobicContact CD1-CG 3.98Å; I135-M200 HydrophobicContact CD1-SD 4.45Å; I135-F201 HydrophobicContact CG2-CB 4.11Å; I135-F201 HydrophobicContact CG2-CD2 3.86Å; I135-F201 HydrophobicContact CG2-CG 4.46Å
136L90.1Very high87.4Confident70 Ų7070.1 Ų70.137%0.36634%0.338SS..Hα-helixtrans-67.7-44.6172.1173.8140.7000110.9N133 I134 A138 G139 I140 F201N133-L136 PolarHBondContact O-N 3.34Å; I134-L136 VanDerWaalsContact C-N 3.35Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 2.85Å; L136-G139 PolarHBondContact O-N 2.96Å; L136-I140 HydrophobicContact CD2-CD1 3.59Å; L136-I140 HydrophobicContact CG-CD1 4.08Å; L136-I140 WeakPolarHBondContact O-CG1 3.15Å; L136-I140 PolarHBondContact O-N 2.97Å; L136-F201 HydrophobicContact CB-CD1 4.34Å; L136-F201 HydrophobicContact CB-CD2 3.89Å; L136-F201 HydrophobicContact CB-CE1 4.39Å; L136-F201 HydrophobicContact CB-CE2 3.91Å; L136-F201 HydrophobicContact CB-CG 4.09Å; L136-F201 HydrophobicContact CB-CZ 4.17Å; L136-F201 HydrophobicContact CD1-CD1 3.87Å; L136-F201 HydrophobicContact CD1-CE1 3.4Å; L136-F201 VanDerWaalsContact CD1-CE1 3.4Å; L136-F201 HydrophobicContact CD1-CE2 4.22Å; L136-F201 HydrophobicContact CD1-CG 4.46Å; L136-F201 HydrophobicContact CD1-CZ 3.59Å; L136-F201 HydrophobicContact CG-CE1 4.5Å
137S91.9Very high87.9Confident37 Ų3769.6 Ų69.626%0.25934%0.338SS..Hα-helixtrans-62.3-38172.543.80000112.4N133 I134 I140 F141N133-S137 PolarHBondContact O-N 2.96Å; N133-S137 PolarHBondContact O-OG 2.85Å; I134-S137 WeakPolarHBondContact CA-OG 3.26Å; I134-S137 PolarHBondContact O-N 3Å; I134-S137 PolarHBondContact O-OG 3.29Å; S137-I140 PolarHBondContact O-N 3.03Å; S137-F141 WeakPolarHBondContact O-CD2 3.39Å; S137-F141 WeakPolarHBondContact O-CG 3.39Å; S137-F141 PolarHBondContact O-N 3.42Å
138A93Very high88.3Confident0 Ų062.2 Ų62.20%031%0.308CS..Hα-helixtrans-61.2-45.617600000112.1C121 I122 I134 I135 L136 F141 F142C121-A138 HydrophobicContact CB-CB 3.6Å; I122-A138 HydrophobicContact CG1-CB 3.97Å; I134-A138 WeakPolarHBondContact O-CB 3.29Å; I134-A138 PolarHBondContact O-N 3.36Å; I135-A138 PolarHBondContact O-N 3.3Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 2.85Å; A138-F141 PolarHBondContact O-N 3.01Å; A138-F142 PolarHBondContact O-N 2.92Å
139G93.3Very high88.9Confident0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-62.1-42.4175.500000112.7I135 L136 F142 V143I135-G139 PolarHBondContact O-N 3.16Å; L136-G139 PolarHBondContact O-N 2.96Å; G139-F142 PolarHBondContact O-N 3.42Å; G139-V143 WeakPolarHBondContact O-CG2 3.29Å; G139-V143 PolarHBondContact O-N 2.96Å
140I94.5Very high89.8Confident96 Ų9650.8 Ų50.849%0.49226%0.263SS..Hα-helixtrans-63-42.5176.2-67.2166.7000111.3L136 S137 V143 S144L136-I140 HydrophobicContact CD2-CD1 3.59Å; L136-I140 HydrophobicContact CG-CD1 4.08Å; L136-I140 WeakPolarHBondContact O-CG1 3.15Å; L136-I140 PolarHBondContact O-N 2.97Å; S137-I140 PolarHBondContact O-N 3.03Å; I140-V143 PolarHBondContact O-N 3.26Å; I140-S144 WeakPolarHBondContact O-CB 3.4Å; I140-S144 PolarHBondContact O-N 2.76Å; I140-S144 PolarHBondContact O-OG 3.38Å
141F95.5Very high91Very high71 Ų7149.2 Ų49.231%0.31125%0.25SC..Hα-helixtrans-66.5-34.8175.7-66.6-43.1000112.8L114 S137 A138 S144 A145L114-F141 HydrophobicContact CD2-CD1 4.2Å; S137-F141 WeakPolarHBondContact O-CD2 3.39Å; S137-F141 WeakPolarHBondContact O-CG 3.39Å; S137-F141 PolarHBondContact O-N 3.42Å; A138-F141 PolarHBondContact O-N 3.01Å; F141-S144 PolarHBondContact O-OG 3.39Å; F141-A145 WeakPolarHBondContact O-CB 3.43Å; F141-A145 PolarHBondContact O-N 2.91Å
142F95.1Very high91.4Very high1 Ų140.9 Ų40.90%0.00422%0.22CC..Hα-helixtrans-66.4-45.1174.6-104.7-86000112.7A17 L115 I122 A138 G139 A145 G146 A190 V193A17-F142 HydrophobicContact CB-CE1 4.29Å; A17-F142 HydrophobicContact CB-CE2 4.04Å; A17-F142 HydrophobicContact CB-CZ 3.46Å; A17-F142 VanDerWaalsContact CB-CZ 3.46Å; L115-F142 HydrophobicContact CD2-CD1 3.71Å; L115-F142 HydrophobicContact CD2-CE1 3.42Å; L115-F142 VanDerWaalsContact CD2-CE1 3.42Å; L115-F142 HydrophobicContact CD2-CZ 4.02Å; I122-F142 HydrophobicContact CD1-CD2 3.98Å; I122-F142 HydrophobicContact CD1-CE2 3.51Å; I122-F142 HydrophobicContact CD1-CZ 4.28Å; A138-F142 PolarHBondContact O-N 2.92Å; G139-F142 PolarHBondContact O-N 3.42Å; F142-A145 WeakPolarHBondContact O-CB 3.37Å; F142-A145 PolarHBondContact O-N 2.96Å; F142-G146 PolarHBondContact O-N 2.76Å; F142-A190 HydrophobicContact CD1-CB 3.98Å; F142-A190 WeakPolarHBondContact CD1-O 3.23Å; F142-A190 HydrophobicContact CE1-CB 4.27Å; F142-V193 HydrophobicContact CD1-CB 4.14Å; F142-V193 HydrophobicContact CD1-CG1 3.78Å; F142-V193 HydrophobicContact CD2-CG1 4.35Å; F142-V193 HydrophobicContact CE1-CB 4.22Å; F142-V193 HydrophobicContact CE1-CG1 3.73Å; F142-V193 HydrophobicContact CE2-CG1 4.31Å; F142-V193 HydrophobicContact CG-CG1 4.11Å; F142-V193 HydrophobicContact CZ-CG1 4.04Å
143V95.5Very high92Very high45 Ų4539.2 Ų39.227%0.27321%0.213SC..Hα-helixtrans-67.8-41.7176.8175.30000111G139 I140 A145 G146 L147G139-V143 WeakPolarHBondContact O-CG2 3.29Å; G139-V143 PolarHBondContact O-N 2.96Å; I140-V143 PolarHBondContact O-N 3.26Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 PolarHBondContact O-N 3.35Å; V143-G146 PolarHBondContact O-N 3.44Å; V143-L147 HydrophobicContact CG1-CD1 4.01Å; V143-L147 HydrophobicContact CG1-CG 4.34Å; V143-L147 WeakPolarHBondContact O-CB 3.17Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 2.89Å
144S95Very high92.1Very high41 Ų4137.9 Ų37.929%0.28720%0.204SC..Hα-helixtrans-68.4-29.3176.470.20000113I140 F141 S148I140-S144 WeakPolarHBondContact O-CB 3.4Å; I140-S144 PolarHBondContact O-N 2.76Å; I140-S144 PolarHBondContact O-OG 3.38Å; F141-S144 PolarHBondContact O-OG 3.39Å; S144-S148 WeakPolarHBondContact O-CB 3.46Å; S144-S148 PolarHBondContact O-N 2.89Å; S144-S148 PolarHBondContact O-OG 3.36Å
145A95.4Very high91.8Very high0 Ų037.1 Ų37.10%020%0.201CC..Hα-helixtrans-65.6-44.6168.700000112S111 L114 L115 F141 F142 V143 S148 N149S111-A145 WeakPolarHBondContact CB-O 3.2Å; L114-A145 HydrophobicContact CB-CB 3.6Å; L115-A145 HydrophobicContact CD2-CB 3.74Å; L115-A145 HydrophobicContact CG-CB 3.77Å; F141-A145 WeakPolarHBondContact O-CB 3.43Å; F141-A145 PolarHBondContact O-N 2.91Å; F142-A145 WeakPolarHBondContact O-CB 3.37Å; F142-A145 PolarHBondContact O-N 2.96Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 PolarHBondContact O-N 3.35Å; A145-S148 WeakPolarHBondContact CA-OG 3.38Å; A145-S148 PolarHBondContact O-N 3.23Å; A145-S148 PolarHBondContact O-OG 2.96Å; A145-N149 WeakPolarHBondContact O-CB 3.32Å; A145-N149 PolarHBondContact O-N 2.92Å
146G94.4Very high91.3Very high1 Ų136.6 Ų36.61%0.0120%0.198CC..Hα-helixtrans-59.3-50.6175.100000112F142 V143 S148 N149 I150 F187 E191F142-G146 PolarHBondContact O-N 2.76Å; V143-G146 PolarHBondContact O-N 3.44Å; G146-S148 PolarHBondContact O-N 3.17Å; G146-N149 PolarHBondContact O-N 3.37Å; G146-N149 VanDerWaalsContact O-N 3.16Å; G146-I150 PolarHBondContact O-N 3.24Å; G146-F187 VanDerWaalsContact O-CD2 3.23Å; G146-F187 WeakPolarHBondContact O-CD2 3.49Å; G146-F187 WeakPolarHBondContact O-CE2 3.28Å; G146-E191 WeakPolarHBondContact CA-OE1 3.36Å
147L93.5Very high90.9Very high95 Ų9536.1 Ų36.150%0.49720%0.195SC..Hα-helixtrans-61.2-38.7177.5-67.3175.5000113.4V143 I150 I151V143-L147 HydrophobicContact CG1-CD1 4.01Å; V143-L147 HydrophobicContact CG1-CG 4.34Å; V143-L147 WeakPolarHBondContact O-CB 3.17Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 2.89Å; L147-I150 VanDerWaalsContact O-CG2 3.31Å; L147-I150 WeakPolarHBondContact O-CG2 3.36Å; L147-I151 WeakPolarHBondContact O-CD1 3.49Å; L147-I151 VanDerWaalsContact O-CG1 3.24Å; L147-I151 WeakPolarHBondContact O-CG1 3.47Å; L147-I151 PolarHBondContact O-N 3.22Å
148S93.1Very high90.1Very high15 Ų1536.9 Ų36.911%0.10520%0.201CC..Hα-helixtrans-70.4-34.7174.5490000112.6S111 S144 A145 G146 G152S111-S148 WeakPolarHBondContact CB-OG 3.24Å; S144-S148 WeakPolarHBondContact O-CB 3.46Å; S144-S148 PolarHBondContact O-N 2.89Å; S144-S148 PolarHBondContact O-OG 3.36Å; A145-S148 WeakPolarHBondContact CA-OG 3.38Å; A145-S148 PolarHBondContact O-N 3.23Å; A145-S148 PolarHBondContact O-OG 2.96Å; G146-S148 PolarHBondContact O-N 3.17Å; S148-G152 PolarHBondContact O-N 2.78Å
149N92.3Very high88.9Confident0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-67-46.5174.3-175.639.7000112.6M24 A145 G146 I151 G152 I153 G183M24-N149 HydrophobicContact CE-CB 3.71Å; M24-N149 VanDerWaalsContact CE-ND2 3.29Å; M24-N149 WeakPolarHBondContact CE-ND2 3.43Å; A145-N149 WeakPolarHBondContact O-CB 3.32Å; A145-N149 PolarHBondContact O-N 2.92Å; G146-N149 PolarHBondContact O-N 3.37Å; G146-N149 VanDerWaalsContact O-N 3.16Å; N149-I151 VanDerWaalsContact C-N 3.29Å; N149-I151 PolarHBondContact O-N 3.41Å; N149-G152 CarbonylContact O-C 3.59Å; N149-G152 WeakPolarHBondContact O-CA 3.45Å; N149-G152 PolarHBondContact O-N 3.43Å; N149-I153 WeakPolarHBondContact O-CG1 3.4Å; N149-I153 PolarHBondContact O-N 2.91Å; N149-G183 PolarHBondContact ND2-O 3.35Å
150I92.3Very high87.7Confident60 Ų6039 Ų3931%0.30822%0.215SC..Hα-helixtrans-63.4-36.1179.5-167.8172.6000111.7G146 L147 G152 I153 I154 F187G146-I150 PolarHBondContact O-N 3.24Å; L147-I150 VanDerWaalsContact O-CG2 3.31Å; L147-I150 WeakPolarHBondContact O-CG2 3.36Å; I150-G152 VanDerWaalsContact C-N 3.35Å; I150-I153 PolarHBondContact O-N 2.73Å; I150-I154 HydrophobicContact CG1-CD1 4.08Å; I150-I154 HydrophobicContact CG1-CG1 4.49Å; I150-I154 WeakPolarHBondContact O-CD1 3.22Å; I150-I154 VanDerWaalsContact O-CG1 3.24Å; I150-I154 WeakPolarHBondContact O-CG1 3.42Å; I150-I154 PolarHBondContact O-N 3.29Å; I150-F187 HydrophobicContact CB-CD2 4.25Å; I150-F187 HydrophobicContact CB-CE2 4.03Å; I150-F187 HydrophobicContact CB-CZ 4.28Å; I150-F187 HydrophobicContact CD1-CE1 4.04Å; I150-F187 HydrophobicContact CD1-CE2 4.49Å; I150-F187 HydrophobicContact CD1-CZ 3.89Å; I150-F187 HydrophobicContact CG2-CE2 4.15Å; I150-F187 HydrophobicContact CG2-CZ 4.5Å
151I90.1Very high86.1Confident80 Ų8038.4 Ų38.441%0.4122%0.224SC..Hα-helixtrans-60.5-45.4170-68.5166.1000110.6F107 L147 N149 I153 I154 V155F107-I151 HydrophobicContact CD1-CG2 4.36Å; F107-I151 HydrophobicContact CD2-CG2 3.98Å; F107-I151 HydrophobicContact CE2-CG2 4.15Å; F107-I151 HydrophobicContact CG-CG2 4.09Å; F107-I151 HydrophobicContact CZ-CG2 4.43Å; L147-I151 WeakPolarHBondContact O-CD1 3.49Å; L147-I151 VanDerWaalsContact O-CG1 3.24Å; L147-I151 WeakPolarHBondContact O-CG1 3.47Å; L147-I151 PolarHBondContact O-N 3.22Å; N149-I151 VanDerWaalsContact C-N 3.29Å; N149-I151 PolarHBondContact O-N 3.41Å; I151-I153 PolarHBondContact O-N 3.07Å; I151-I154 PolarHBondContact O-N 3.13Å; I151-V155 HydrophobicContact CG2-CG2 4.49Å; I151-V155 WeakPolarHBondContact O-CG2 3.24Å; I151-V155 PolarHBondContact O-N 3.33Å
152G87.1Confident84Confident5 Ų537.3 Ų37.35%0.05223%0.233CC..Hα-helixtrans-56.8-45.4174.500000113.7S148 N149 I150 V155 Y156S148-G152 PolarHBondContact O-N 2.78Å; N149-G152 CarbonylContact O-C 3.59Å; N149-G152 WeakPolarHBondContact O-CA 3.45Å; N149-G152 PolarHBondContact O-N 3.43Å; I150-G152 VanDerWaalsContact C-N 3.35Å; G152-V155 PolarHBondContact O-N 3.14Å; G152-Y156 WeakPolarHBondContact O-CB 3.35Å; G152-Y156 PolarHBondContact O-N 2.88Å
153I86.2Confident81.8Confident18 Ų1841.1 Ų41.19%0.09225%0.254CS..Hα-helixtrans-64.3-43.9177-69.9169.9000111N149 I150 I151 Y156 I157 F180N149-I153 WeakPolarHBondContact O-CG1 3.4Å; N149-I153 PolarHBondContact O-N 2.91Å; I150-I153 PolarHBondContact O-N 2.73Å; I151-I153 PolarHBondContact O-N 3.07Å; I153-Y156 WeakPolarHBondContact O-CB 3.26Å; I153-Y156 PolarHBondContact O-N 3.19Å; I153-I157 HydrophobicContact CG2-CD1 4.06Å; I153-I157 WeakPolarHBondContact O-CG1 3.04Å; I153-I157 PolarHBondContact O-N 2.84Å; I153-F180 HydrophobicContact CG2-CE2 3.83Å; I153-F180 HydrophobicContact CG2-CZ 3.87Å
154I87.4Confident79.3Confident99 Ų9945 Ų4551%0.50828%0.279SS..Hα-helixtrans-62.3-46.7178.2-69.9163.5000110.8I150 I151 Y156 I157 S158I150-I154 HydrophobicContact CG1-CD1 4.08Å; I150-I154 HydrophobicContact CG1-CG1 4.49Å; I150-I154 WeakPolarHBondContact O-CD1 3.22Å; I150-I154 VanDerWaalsContact O-CG1 3.24Å; I150-I154 WeakPolarHBondContact O-CG1 3.42Å; I150-I154 PolarHBondContact O-N 3.29Å; I151-I154 PolarHBondContact O-N 3.13Å; I154-Y156 VanDerWaalsContact C-N 3.31Å; I154-Y156 PolarHBondContact O-N 2.88Å; I154-I157 PolarHBondContact O-N 3.27Å; I154-S158 PolarHBondContact O-N 3.17Å; I154-S158 PolarHBondContact O-OG 3.48Å
155V82.4Confident77Confident23 Ų2347.9 Ų47.914%0.13930%0.3CS..Hα-helixtrans-65-35.9177.6176.30000111.5L98 V101 I151 G152 S158 A159L98-V155 HydrophobicContact CD2-CG1 4.13Å; V101-V155 HydrophobicContact CB-CG1 4.39Å; V101-V155 HydrophobicContact CG1-CG1 3.77Å; I151-V155 HydrophobicContact CG2-CG2 4.49Å; I151-V155 WeakPolarHBondContact O-CG2 3.24Å; I151-V155 PolarHBondContact O-N 3.33Å; G152-V155 PolarHBondContact O-N 3.14Å; V155-S158 WeakPolarHBondContact CA-OG 3.27Å; V155-S158 PolarHBondContact O-OG 3.45Å; V155-A159 VanDerWaalsContact O-CB 3.27Å; V155-A159 WeakPolarHBondContact O-CB 3.49Å; V155-A159 PolarHBondContact O-N 3.4Å
156Y79.6Confident74.8Confident11 Ų1153 Ų534%0.04332%0.322CS..Hα-helixtrans-62.5-41.6173.8-174.9-94000112.2W33 L34 L63 G152 I153 I154 N160 F180W33-Y156 HydrophobicContact CB-CE1 4.29Å; W33-Y156 WeakPolarHBondContact CB-OH 3.44Å; W33-Y156 HydrophobicContact CD2-CE2 4.41Å; W33-Y156 AromaticContact CE3-CD1 3.91Å; W33-Y156 HydrophobicContact CE3-CD1 3.91Å; W33-Y156 AromaticContact CE3-CD2 3.99Å; W33-Y156 HydrophobicContact CE3-CD2 3.99Å; W33-Y156 AromaticContact CE3-CE1 3.79Å; W33-Y156 HydrophobicContact CE3-CE1 3.79Å; W33-Y156 AromaticContact CE3-CE2 3.87Å; W33-Y156 HydrophobicContact CE3-CE2 3.87Å; W33-Y156 HydrophobicContact CE3-CG 4.01Å; W33-Y156 AromaticContact CE3-CZ 3.77Å; W33-Y156 HydrophobicContact CZ3-CD1 4.32Å; W33-Y156 HydrophobicContact CZ3-CD2 4.25Å; W33-Y156 HydrophobicContact CZ3-CG 4.12Å; L34-Y156 WeakPolarHBondContact CB-OH 3.5Å; L34-Y156 HydrophobicContact CD1-CE1 3.91Å; L34-Y156 WeakPolarHBondContact CD1-OH 3.22Å; L63-Y156 HydrophobicContact CD1-CD2 4.16Å; L63-Y156 HydrophobicContact CD1-CE2 4.29Å; G152-Y156 WeakPolarHBondContact O-CB 3.35Å; G152-Y156 PolarHBondContact O-N 2.88Å; I153-Y156 WeakPolarHBondContact O-CB 3.26Å; I153-Y156 PolarHBondContact O-N 3.19Å; I154-Y156 VanDerWaalsContact C-N 3.31Å; I154-Y156 PolarHBondContact O-N 2.88Å; Y156-N160 PolarHBondContact O-N 2.96Å; Y156-N160 PolarHBondContact O-ND2 2.91Å; Y156-F180 HydrophobicContact CD1-CD2 4.33Å; Y156-F180 HydrophobicContact CD1-CE2 4.26Å; Y156-F180 HydrophobicContact CE1-CD2 4.43Å
157I80.6Confident72.3Confident61 Ų6156.8 Ų56.831%0.31335%0.349SS..Hα-helixtrans-69.5-48.9176.6-62162.9000110.6I153 I154 A159 N160 A161 Y176 F180I153-I157 HydrophobicContact CG2-CD1 4.06Å; I153-I157 WeakPolarHBondContact O-CG1 3.04Å; I153-I157 PolarHBondContact O-N 2.84Å; I154-I157 PolarHBondContact O-N 3.27Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 2.9Å; I157-N160 PolarHBondContact O-N 2.89Å; I157-A161 PolarHBondContact O-N 2.93Å; I157-Y176 HydrophobicContact CG1-CE1 4.47Å; I157-F180 HydrophobicContact CD1-CE2 4.49Å; I157-F180 HydrophobicContact CD1-CZ 4.05Å; I157-F180 HydrophobicContact CG1-CE2 4.27Å; I157-F180 HydrophobicContact CG1-CZ 4.24Å
158S76.1Confident70.1Confident53 Ų5358.4 Ų58.437%0.37136%0.357SS..Hα-helixtrans-62.4-39.9-175.366.80000112.3I154 V155 N160 A161 G162I154-S158 PolarHBondContact O-N 3.17Å; I154-S158 PolarHBondContact O-OG 3.48Å; V155-S158 WeakPolarHBondContact CA-OG 3.27Å; V155-S158 PolarHBondContact O-OG 3.45Å; S158-N160 PolarHBondContact O-N 3.5Å; S158-A161 PolarHBondContact O-N 3.31Å; S158-G162 PolarHBondContact O-N 3.42Å
159A68.6Low67.8Low21 Ų2162.8 Ų62.817%0.17439%0.388CS..Hα-helixtrans-72-12176.200000114.1R102 V155 I157R102-A159 HydrophobicContact CB-CB 4.36Å; R102-A159 PolarHBondContact NH1-O 2.89Å; V155-A159 VanDerWaalsContact O-CB 3.27Å; V155-A159 WeakPolarHBondContact O-CB 3.49Å; V155-A159 PolarHBondContact O-N 3.4Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 2.9Å
160N66.9Low65.7Low24 Ų2468.1 Ų68.113%0.12841%0.411CS..Hα-helixtrans-97.3-20.2170.5-76.7-54.6000112.8R102 Y156 I157 S158 G162 Y174R102-N160 PolarHBondContact NH1-OD1 2.8Å; R102-N160 PolarHBondContact NH2-OD1 3.27Å; Y156-N160 PolarHBondContact O-N 2.96Å; Y156-N160 PolarHBondContact O-ND2 2.91Å; I157-N160 PolarHBondContact O-N 2.89Å; S158-N160 PolarHBondContact O-N 3.5Å; N160-G162 VanDerWaalsContact C-N 3.34Å; N160-Y174 HydrophobicContact CB-CE1 4.08Å; N160-Y174 PolarHBondContact OD1-OH 3.22Å; N160-Y174 VanDerWaalsContact OD1-OH 3.08Å
161A61.8Low63.5Low82 Ų8271.7 Ų71.768%0.67843%0.425SS*.Hα-helixtrans-80.3-14.3174.500000113.6I157 S158I157-A161 PolarHBondContact O-N 2.93Å; S158-A161 PolarHBondContact O-N 3.31Å
162G51.8Low61.4Low49 Ų4975.6 Ų75.651%0.50545%0.446SS..  trans-78.8-13.9-170.800000117.4S158 N160 P164S158-G162 PolarHBondContact O-N 3.42Å; N160-G162 VanDerWaalsContact C-N 3.34Å; G162-P164 WeakPolarHBondContact O-CD 3.27Å; G162-P164 WeakPolarHBondContact O-CG 3.46Å
163D48.6Very low60Low81 Ų8177 Ų7743%0.43346%0.455SS..  trans-71.5105.4-178.6-84.6-12.3000111.6S165 K166D163-S165 VanDerWaalsContact C-N 3.32Å; D163-S165 PolarHBondContact O-N 2.84Å; D163-K166 IonicContact OD2-NZ 2.66Å; D163-K166 PolarHBondContact OD2-NZ 2.89Å
164P43.3Very low59Low125 Ų12579.7 Ų79.781%0.81247%0.465SS*.THydrogen-bonded Turntrans-80.7-15.4-175.3-8.528.3000112.7G162 K166G162-P164 WeakPolarHBondContact O-CD 3.27Å; G162-P164 WeakPolarHBondContact O-CG 3.46Å; P164-K166 VanDerWaalsContact C-N 3.27Å; P164-K166 PolarHBondContact O-N 3.43Å
165S46.1Very low58.6Low102 Ų10278.3 Ų78.371%0.71346%0.464SS*.THydrogen-bonded Turntrans-75.6-8.6-173.963.80000114.6D163 S167D163-S165 VanDerWaalsContact C-N 3.32Å; D163-S165 PolarHBondContact O-N 2.84Å; S165-S167 PolarHBondContact O-N 3.38Å
166K49Very low58.7Low107 Ų10780.9 Ų80.947%0.46547%0.472SS..SBendtrans-94.568.6174.8-70.4172.8-174.6149.80110.5D163 P164 D168D163-K166 IonicContact OD2-NZ 2.66Å; D163-K166 PolarHBondContact OD2-NZ 2.89Å; P164-K166 VanDerWaalsContact C-N 3.27Å; P164-K166 PolarHBondContact O-N 3.43Å; K166-D168 PolarHBondContact O-N 3.47Å
167S41.9Very low59Low82 Ų8280.4 Ų80.457%0.57347%0.47SS*.  trans-59.4115.9-179.547.60000113S165 S169S165-S167 PolarHBondContact O-N 3.38Å; S167-S169 PolarHBondContact O-N 3.48Å; S167-S169 PolarHBondContact O-OG 2.84Å
168D47Very low59.4Low128 Ų12885.7 Ų85.768%0.68449%0.486SS*.SBendtrans43.4-6.5148.8-58-54.4000123.1K166 K171K166-D168 PolarHBondContact O-N 3.47Å; D168-K171 WeakPolarHBondContact OD1-CE 3.44Å; D168-K171 IonicContact OD1-NZ 2.63Å; D168-K171 PolarHBondContact OD1-NZ 3.24Å
169S44.3Very low60.1Low107 Ų10783.4 Ų83.475%0.74847%0.47SS*.SBendtrans-110-22176.958.50000113.5S167S167-S169 PolarHBondContact O-N 3.48Å; S167-S169 PolarHBondContact O-OG 2.84Å
170K47.8Very low61.1Low112 Ų11283.3 Ų83.349%0.48747%0.466SS..SBendtrans-114.610.2-177.7-81.9-178.7172175.90115.3E56 N172 S173E56-K170 VanDerWaalsContact OE1-CE 3.24Å; E56-K170 WeakPolarHBondContact OE1-CE 3.44Å; E56-K170 IonicContact OE1-NZ 3.43Å; E56-K170 PolarHBondContact OE1-NZ 2.89Å; K170-N172 PolarHBondContact O-N 3.21Å; K170-N172 VanDerWaalsContact O-N 3.15Å; K170-S173 PolarHBondContact O-N 3.32Å; K170-S173 PolarHBondContact O-OG 2.98Å
171K47.7Very low62.3Low136 Ų13688.2 Ų88.259%0.59148%0.483SS*.THydrogen-bonded Turntrans-62.2-18.2174.8-69.8179.8173.8171.80113.3D168D168-K171 WeakPolarHBondContact OD1-CE 3.44Å; D168-K171 IonicContact OD1-NZ 2.63Å; D168-K171 PolarHBondContact OD1-NZ 3.24Å
172N45.5Very low63.8Low161 Ų16188 Ų8886%0.86147%0.467SS*.THydrogen-bonded Turntrans-89.4-3.1-179.4-75.214.5000115.7K170K170-N172 PolarHBondContact O-N 3.21Å; K170-N172 VanDerWaalsContact O-N 3.15Å
173S56.7Low65.7Low35 Ų3585.7 Ų85.725%0.24544%0.444CS..  trans-108.142.5-178.157.50000113.3K170K170-S173 PolarHBondContact O-N 3.32Å; K170-S173 PolarHBondContact O-OG 2.98Å
174Y66.6Low67.9Low75 Ų7583.3 Ų83.329%0.29444%0.436SS..EExtended strand (participates in β ladder)trans-122.3110.6173.1-139.1-117.4000108.1L34 N160L34-Y174 HydrophobicContact CD1-CD1 4.47Å; L34-Y174 HydrophobicContact CD1-CE1 3.48Å; L34-Y174 VanDerWaalsContact CD1-CE1 3.48Å; L34-Y174 WeakPolarHBondContact CD1-OH 3.33Å; L34-Y174 HydrophobicContact CD2-CD1 4.36Å; L34-Y174 HydrophobicContact CD2-CD2 4.32Å; L34-Y174 HydrophobicContact CD2-CE1 3.79Å; L34-Y174 HydrophobicContact CD2-CE2 3.73Å; L34-Y174 VanDerWaalsContact CD2-CZ 3.47Å; L34-Y174 HydrophobicContact CG-CD1 4.22Å; L34-Y174 HydrophobicContact CG-CE1 3.63Å; L34-Y174 HydrophobicContact CG-CE2 4.49Å; N160-Y174 HydrophobicContact CB-CE1 4.08Å; N160-Y174 PolarHBondContact OD1-OH 3.22Å; N160-Y174 VanDerWaalsContact OD1-OH 3.08Å
175S78.8Confident70.3Confident70 Ų7081 Ų8149%0.4942%0.416SS..EExtended strand (participates in β ladder)trans-114.5124-178.2-59.70000109.2Y35Y35-S175 PolarHBondContact N-O 3.02Å; Y35-S175 PolarHBondContact O-N 2.77Å; Y35-S175 VanDerWaalsContact O-N 3.14Å
176Y84.3Confident72.6Confident76 Ų7676.2 Ų76.230%0.29838%0.382SS..EExtended strand (participates in β ladder)trans-64.5140.2171.8-63.6-80.1000110I157 F180I157-Y176 HydrophobicContact CG1-CE1 4.47Å; Y176-F180 AromaticContact CD1-CD1 3.81Å; Y176-F180 HydrophobicContact CD1-CD1 3.81Å; Y176-F180 HydrophobicContact CD1-CD2 4.06Å; Y176-F180 AromaticContact CD1-CE1 3.88Å; Y176-F180 HydrophobicContact CD1-CE1 3.88Å; Y176-F180 HydrophobicContact CD1-CE2 4.12Å; Y176-F180 AromaticContact CD1-CG 3.91Å; Y176-F180 HydrophobicContact CD1-CG 3.91Å; Y176-F180 HydrophobicContact CD1-CZ 4.03Å; Y176-F180 HydrophobicContact CE1-CE1 4.34Å; Y176-F180 HydrophobicContact CE1-CE2 4.22Å; Y176-F180 HydrophobicContact CE1-CZ 4.11Å; Y176-F180 AromaticContact CG-CD1 3.96Å; Y176-F180 HydrophobicContact CG-CD1 3.96Å; Y176-F180 HydrophobicContact CG-CE1 4.11Å; Y176-F180 HydrophobicContact CG-CG 4.41Å
177G85.3Confident74.8Confident1 Ų173.2 Ų73.21%0.0137%0.369CS..  trans-92.2168.5-179.200000113.1Y32 W33 S179 F180 Y181Y32-G177 CarbonylContact O-C 3.17Å; Y32-G177 WeakPolarHBondContact O-CA 3.26Å; W33-G177 PolarHBondContact O-N 3.31Å; G177-S179 PolarHBondContact O-N 3.48Å; G177-F180 WeakPolarHBondContact O-CB 3.39Å; G177-F180 PolarHBondContact O-N 3.37Å; G177-F180 VanDerWaalsContact O-N 3.07Å; G177-Y181 VanDerWaalsContact O-CD2 3.31Å; G177-Y181 WeakPolarHBondContact O-CD2 3.35Å; G177-Y181 PolarHBondContact O-N 3.2Å
178W89.8Confident77.4Confident173 Ų17373.8 Ų73.866%0.65537%0.365SS*.Hα-helixtrans-57.7-33.9-175.5-55.7104.1000113.3Y32 F180 Y181 F182Y32-W178 PolarHBondContact O-N 3.23Å; W178-F180 VanDerWaalsContact C-N 3.32Å; W178-F180 PolarHBondContact O-N 3.45Å; W178-Y181 PolarHBondContact O-N 2.94Å; W178-F182 HydrophobicContact CB-CE2 4.16Å; W178-F182 VanDerWaalsContact O-CD2 3.26Å; W178-F182 WeakPolarHBondContact O-CD2 3.41Å; W178-F182 WeakPolarHBondContact O-CG 3.49Å; W178-F182 PolarHBondContact O-N 3.46Å
179S90.5Very high79.7Confident4 Ų469.8 Ų69.83%0.02834%0.343CS..Hα-helixtrans-65.2-34.8178.4-50.60000112.6A27 T30 Y32 G177 F182 G183A27-S179 VanDerWaalsContact CB-O 3.29Å; A27-S179 WeakPolarHBondContact CB-O 3.5Å; T30-S179 WeakPolarHBondContact OG1-CB 3.24Å; T30-S179 PolarHBondContact OG1-OG 3.5Å; Y32-S179 WeakPolarHBondContact CB-OG 3.41Å; Y32-S179 VanDerWaalsContact O-CB 3.25Å; Y32-S179 WeakPolarHBondContact O-CB 3.25Å; Y32-S179 PolarHBondContact O-N 2.98Å; Y32-S179 VanDerWaalsContact O-N 3.13Å; Y32-S179 PolarHBondContact O-OG 3.42Å; G177-S179 PolarHBondContact O-N 3.48Å; S179-F182 PolarHBondContact O-N 2.98Å; S179-G183 PolarHBondContact O-N 2.85Å
180F89.1Confident82.1Confident19 Ų1964.7 Ų64.78%0.08331%0.307CS..Hα-helixtrans-65.7-44.2174.5178.4-91.6000111W33 I153 Y156 I157 Y176 G177 W178 F182 G183 A184W33-F180 AromaticContact CE3-CD2 4Å; W33-F180 HydrophobicContact CE3-CD2 4Å; W33-F180 HydrophobicContact CZ3-CD2 4.33Å; W33-F180 WeakPolarHBondContact O-CB 3.43Å; I153-F180 HydrophobicContact CG2-CE2 3.83Å; I153-F180 HydrophobicContact CG2-CZ 3.87Å; Y156-F180 HydrophobicContact CD1-CD2 4.33Å; Y156-F180 HydrophobicContact CD1-CE2 4.26Å; Y156-F180 HydrophobicContact CE1-CD2 4.43Å; I157-F180 HydrophobicContact CD1-CE2 4.49Å; I157-F180 HydrophobicContact CD1-CZ 4.05Å; I157-F180 HydrophobicContact CG1-CE2 4.27Å; I157-F180 HydrophobicContact CG1-CZ 4.24Å; Y176-F180 AromaticContact CD1-CD1 3.81Å; Y176-F180 HydrophobicContact CD1-CD1 3.81Å; Y176-F180 HydrophobicContact CD1-CD2 4.06Å; Y176-F180 AromaticContact CD1-CE1 3.88Å; Y176-F180 HydrophobicContact CD1-CE1 3.88Å; Y176-F180 HydrophobicContact CD1-CE2 4.12Å; Y176-F180 AromaticContact CD1-CG 3.91Å; Y176-F180 HydrophobicContact CD1-CG 3.91Å; Y176-F180 HydrophobicContact CD1-CZ 4.03Å; Y176-F180 HydrophobicContact CE1-CE1 4.34Å; Y176-F180 HydrophobicContact CE1-CE2 4.22Å; Y176-F180 HydrophobicContact CE1-CZ 4.11Å; Y176-F180 AromaticContact CG-CD1 3.96Å; Y176-F180 HydrophobicContact CG-CD1 3.96Å; Y176-F180 HydrophobicContact CG-CE1 4.11Å; Y176-F180 HydrophobicContact CG-CG 4.41Å; G177-F180 WeakPolarHBondContact O-CB 3.39Å; G177-F180 PolarHBondContact O-N 3.37Å; G177-F180 VanDerWaalsContact O-N 3.07Å; W178-F180 VanDerWaalsContact C-N 3.32Å; W178-F180 PolarHBondContact O-N 3.45Å; F180-F182 VanDerWaalsContact C-N 3.35Å; F180-F182 PolarHBondContact O-N 3.14Å; F180-G183 PolarHBondContact O-N 3.07Å; F180-A184 PolarHBondContact O-N 2.65Å
181Y92.6Very high84.4Confident127 Ų12761.2 Ų61.250%0.49829%0.293SS..Hα-helixtrans-64.9-35.9174.3-63.9-66000112.6G177 W178 A184 L185G177-Y181 VanDerWaalsContact O-CD2 3.31Å; G177-Y181 WeakPolarHBondContact O-CD2 3.35Å; G177-Y181 PolarHBondContact O-N 3.2Å; W178-Y181 PolarHBondContact O-N 2.94Å; Y181-A184 PolarHBondContact O-N 3.44Å; Y181-L185 VanDerWaalsContact O-CB 3.29Å; Y181-L185 WeakPolarHBondContact O-CB 3.46Å; Y181-L185 PolarHBondContact O-N 3.44Å
182F93.6Very high86.6Confident78 Ų7860.2 Ų60.234%0.34229%0.292SS..Hα-helixtrans-67.2-34.5172.5-65.6-40.1000112.9L23 I26 W178 S179 F180 L185 S186L23-F182 HydrophobicContact CD2-CB 4.21Å; L23-F182 HydrophobicContact CD2-CD1 3.78Å; L23-F182 HydrophobicContact CD2-CE1 4.39Å; L23-F182 HydrophobicContact CD2-CG 4.08Å; I26-F182 HydrophobicContact CG2-CD2 4.25Å; W178-F182 HydrophobicContact CB-CE2 4.16Å; W178-F182 VanDerWaalsContact O-CD2 3.26Å; W178-F182 WeakPolarHBondContact O-CD2 3.41Å; W178-F182 WeakPolarHBondContact O-CG 3.49Å; W178-F182 PolarHBondContact O-N 3.46Å; S179-F182 PolarHBondContact O-N 2.98Å; F180-F182 VanDerWaalsContact C-N 3.35Å; F180-F182 PolarHBondContact O-N 3.14Å; F182-L185 PolarHBondContact O-N 3.29Å; F182-S186 WeakPolarHBondContact O-CB 3.48Å; F182-S186 PolarHBondContact O-N 2.91Å; F182-S186 PolarHBondContact O-OG 3.48Å
183G92.1Very high88.9Confident1 Ų152.7 Ų52.71%0.0125%0.252CS..Hα-helixtrans-67.8-34.2171.600000113.6N149 S179 F180 S186 F187N149-G183 PolarHBondContact ND2-O 3.35Å; S179-G183 PolarHBondContact O-N 2.85Å; F180-G183 PolarHBondContact O-N 3.07Å; G183-S186 PolarHBondContact O-OG 3.42Å; G183-F187 PolarHBondContact O-N 3.34Å
184A93.3Very high90.7Very high31 Ų3151 Ų5126%0.25624%0.24SC..Hα-helixtrans-74.1-37.7172.300000112.2F180 Y181 F187 I188F180-A184 PolarHBondContact O-N 2.65Å; Y181-A184 PolarHBondContact O-N 3.44Å; A184-F187 WeakPolarHBondContact O-CB 3.49Å; A184-F187 PolarHBondContact O-N 3.35Å; A184-I188 WeakPolarHBondContact O-CG1 3.44Å; A184-I188 PolarHBondContact O-N 3.04Å
185L94.5Very high92Very high77 Ų7751.6 Ų51.640%0.40325%0.251SS..Hα-helixtrans-68.7-39176.3-175.664.1000111.7L23 Y181 F182 F187 I188 I189L23-L185 HydrophobicContact CD1-CD2 3.99Å; L23-L185 HydrophobicContact CD1-CG 4.15Å; Y181-L185 VanDerWaalsContact O-CB 3.29Å; Y181-L185 WeakPolarHBondContact O-CB 3.46Å; Y181-L185 PolarHBondContact O-N 3.44Å; F182-L185 PolarHBondContact O-N 3.29Å; L185-F187 VanDerWaalsContact C-N 3.32Å; L185-F187 PolarHBondContact O-N 2.86Å; L185-I188 PolarHBondContact O-N 2.81Å; L185-I189 HydrophobicContact CD1-CD1 4.28Å; L185-I189 HydrophobicContact CG-CD1 3.98Å; L185-I189 WeakPolarHBondContact O-CG1 3.21Å; L185-I189 PolarHBondContact O-N 3.48Å
186S95.2Very high92.7Very high0 Ų050.5 Ų50.50%024%0.24CC..Hα-helixtrans-63.6-37.3175.368.40000111.9A20 M24 F182 G183 A190A20-S186 WeakPolarHBondContact O-CB 3.34Å; M24-S186 VanDerWaalsContact CE-OG 3.26Å; M24-S186 WeakPolarHBondContact CE-OG 3.2Å; M24-S186 PolarHBondContact SD-OG 3.24Å; M24-S186 VanDerWaalsContact SD-OG 3.4Å; F182-S186 WeakPolarHBondContact O-CB 3.48Å; F182-S186 PolarHBondContact O-N 2.91Å; F182-S186 PolarHBondContact O-OG 3.48Å; G183-S186 PolarHBondContact O-OG 3.42Å; S186-A190 WeakPolarHBondContact O-CB 3.4Å; S186-A190 PolarHBondContact O-N 2.61Å
187F94.6Very high93Very high45 Ų4547 Ų4720%0.19723%0.226CC..Hα-helixtrans-57.1-53.1170166.1-109.2000111.8G146 I150 G183 A184 L185 I189 A190 E191G146-F187 VanDerWaalsContact O-CD2 3.23Å; G146-F187 WeakPolarHBondContact O-CD2 3.49Å; G146-F187 WeakPolarHBondContact O-CE2 3.28Å; I150-F187 HydrophobicContact CB-CD2 4.25Å; I150-F187 HydrophobicContact CB-CE2 4.03Å; I150-F187 HydrophobicContact CB-CZ 4.28Å; I150-F187 HydrophobicContact CD1-CE1 4.04Å; I150-F187 HydrophobicContact CD1-CE2 4.49Å; I150-F187 HydrophobicContact CD1-CZ 3.89Å; I150-F187 HydrophobicContact CG2-CE2 4.15Å; I150-F187 HydrophobicContact CG2-CZ 4.5Å; G183-F187 PolarHBondContact O-N 3.34Å; A184-F187 WeakPolarHBondContact O-CB 3.49Å; A184-F187 PolarHBondContact O-N 3.35Å; L185-F187 VanDerWaalsContact C-N 3.32Å; L185-F187 PolarHBondContact O-N 2.86Å; F187-I189 VanDerWaalsContact C-N 3.34Å; F187-I189 PolarHBondContact O-N 3.22Å; F187-A190 PolarHBondContact O-N 3.08Å; F187-E191 HydrophobicContact CD2-CG 3.97Å; F187-E191 HydrophobicContact CE2-CG 3.46Å; F187-E191 VanDerWaalsContact CE2-CG 3.46Å; F187-E191 HydrophobicContact CZ-CG 3.78Å; F187-E191 PolarHBondContact O-N 2.89Å
188I95.8Very high93.3Very high94 Ų9449.6 Ų49.648%0.48224%0.241SC..Hα-helixtrans-59.7-45.8-178.7-64.2166000110.5A184 L185 E191 M192A184-I188 WeakPolarHBondContact O-CG1 3.44Å; A184-I188 PolarHBondContact O-N 3.04Å; L185-I188 PolarHBondContact O-N 2.81Å; I188-E191 PolarHBondContact O-N 2.86Å; I188-M192 WeakPolarHBondContact O-CB 3.48Å; I188-M192 VanDerWaalsContact O-CG 3.25Å; I188-M192 WeakPolarHBondContact O-CG 3.46Å; I188-M192 PolarHBondContact O-N 3.19Å
189I95.8Very high93.3Very high44 Ų4445.3 Ų45.323%0.22623%0.229CC..Hα-helixtrans-65.7-40.2178.6-63.4170.2000110.7G16 A20 L23 L185 F187 M192 V193G16-I189 WeakPolarHBondContact O-CG2 3.36Å; A20-I189 HydrophobicContact CB-CB 4.27Å; A20-I189 HydrophobicContact CB-CG2 4Å; L23-I189 HydrophobicContact CD1-CD1 3.84Å; L185-I189 HydrophobicContact CD1-CD1 4.28Å; L185-I189 HydrophobicContact CG-CD1 3.98Å; L185-I189 WeakPolarHBondContact O-CG1 3.21Å; L185-I189 PolarHBondContact O-N 3.48Å; F187-I189 VanDerWaalsContact C-N 3.34Å; F187-I189 PolarHBondContact O-N 3.22Å; I189-M192 PolarHBondContact O-N 3.19Å; I189-V193 HydrophobicContact CG2-CG2 4.24Å; I189-V193 WeakPolarHBondContact O-CB 3.42Å; I189-V193 WeakPolarHBondContact O-CG2 3.14Å; I189-V193 PolarHBondContact O-N 3.04Å
190A95.1Very high93.3Very high0 Ų045.7 Ų45.70%023%0.23CC..Hα-helixtrans-62.3-44.9177.500000112.7A20 L115 F142 S186 F187 V193 G194A20-A190 HydrophobicContact CB-CB 4.18Å; L115-A190 HydrophobicContact CD2-CB 3.8Å; F142-A190 HydrophobicContact CD1-CB 3.98Å; F142-A190 WeakPolarHBondContact CD1-O 3.23Å; F142-A190 HydrophobicContact CE1-CB 4.27Å; S186-A190 WeakPolarHBondContact O-CB 3.4Å; S186-A190 PolarHBondContact O-N 2.61Å; F187-A190 PolarHBondContact O-N 3.08Å; A190-V193 PolarHBondContact O-N 3.06Å; A190-G194 PolarHBondContact O-N 2.64Å
191E94.8Very high93.3Very high39 Ų3946.4 Ų46.418%0.18223%0.233CC..Hα-helixtrans-64.2-43.7175.6-71.2-63.2163.400111.4G146 F187 I188 V193 G194 V195G146-E191 WeakPolarHBondContact CA-OE1 3.36Å; F187-E191 HydrophobicContact CD2-CG 3.97Å; F187-E191 HydrophobicContact CE2-CG 3.46Å; F187-E191 VanDerWaalsContact CE2-CG 3.46Å; F187-E191 HydrophobicContact CZ-CG 3.78Å; F187-E191 PolarHBondContact O-N 2.89Å; I188-E191 PolarHBondContact O-N 2.86Å; E191-V193 VanDerWaalsContact C-N 3.33Å; E191-V193 PolarHBondContact O-N 3.1Å; E191-G194 PolarHBondContact O-N 3.25Å; E191-G194 VanDerWaalsContact O-N 3.17Å; E191-V195 WeakPolarHBondContact O-CG2 3.34Å; E191-V195 PolarHBondContact O-N 2.61Å
192M94.3Very high93.2Very high114 Ų11443.9 Ų43.956%0.56223%0.228SC*.Hα-helixtrans-61.6-40.1175.9-69.2-58.5-63.300112.1I188 I189 L196I188-M192 WeakPolarHBondContact O-CB 3.48Å; I188-M192 VanDerWaalsContact O-CG 3.25Å; I188-M192 WeakPolarHBondContact O-CG 3.46Å; I188-M192 PolarHBondContact O-N 3.19Å; I189-M192 PolarHBondContact O-N 3.19Å; M192-L196 WeakPolarHBondContact O-CB 3.28Å; M192-L196 WeakPolarHBondContact O-CD1 3.38Å; M192-L196 VanDerWaalsContact O-CG 3.22Å; M192-L196 WeakPolarHBondContact O-CG 3.29Å; M192-L196 PolarHBondContact O-N 3.08Å
193V95.1Very high92.9Very high4 Ų442.3 Ų42.32%0.02422%0.223CC..Hα-helixtrans-65.7-40.8173.6167.70000111.4T13 A17 I122 F142 I189 A190 E191 L196 A197T13-V193 HydrophobicContact CG2-CG1 3.9Å; A17-V193 HydrophobicContact CB-CG1 4.26Å; I122-V193 HydrophobicContact CD1-CG1 4.35Å; F142-V193 HydrophobicContact CD1-CB 4.14Å; F142-V193 HydrophobicContact CD1-CG1 3.78Å; F142-V193 HydrophobicContact CD2-CG1 4.35Å; F142-V193 HydrophobicContact CE1-CB 4.22Å; F142-V193 HydrophobicContact CE1-CG1 3.73Å; F142-V193 HydrophobicContact CE2-CG1 4.31Å; F142-V193 HydrophobicContact CG-CG1 4.11Å; F142-V193 HydrophobicContact CZ-CG1 4.04Å; I189-V193 HydrophobicContact CG2-CG2 4.24Å; I189-V193 WeakPolarHBondContact O-CB 3.42Å; I189-V193 WeakPolarHBondContact O-CG2 3.14Å; I189-V193 PolarHBondContact O-N 3.04Å; A190-V193 PolarHBondContact O-N 3.06Å; E191-V193 VanDerWaalsContact C-N 3.33Å; E191-V193 PolarHBondContact O-N 3.1Å; V193-L196 PolarHBondContact O-N 3.46Å; V193-A197 WeakPolarHBondContact O-CB 3.36Å; V193-A197 PolarHBondContact O-N 3.32Å
194G94.4Very high92.5Very high0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-61.5-47.917500000112.4A190 E191 L196 A197 V198A190-G194 PolarHBondContact O-N 2.64Å; E191-G194 PolarHBondContact O-N 3.25Å; E191-G194 VanDerWaalsContact O-N 3.17Å; G194-L196 PolarHBondContact O-N 2.89Å; G194-A197 PolarHBondContact O-N 3.28Å; G194-V198 WeakPolarHBondContact O-CG2 3.42Å; G194-V198 PolarHBondContact O-N 2.91Å
195V93.9Very high92.1Very high87 Ų8747.3 Ų47.353%0.52724%0.237SC..Hα-helixtrans-61.3-43.5175.3172.40000111.1E191 V198 H199E191-V195 WeakPolarHBondContact O-CG2 3.34Å; E191-V195 PolarHBondContact O-N 2.61Å; V195-V198 PolarHBondContact O-N 2.72Å; V195-H199 VanDerWaalsContact O-CB 3.31Å; V195-H199 WeakPolarHBondContact O-CB 3.38Å; V195-H199 PolarHBondContact O-N 3.39Å
196L92.1Very high91.8Very high47 Ų4749.4 Ų49.425%0.24624%0.243CC..Hα-helixtrans-63.5-40.6175.6-75168.4000112.5L12 M192 V193 G194 H199 M200L12-L196 HydrophobicContact CD2-CD1 3.45Å; L12-L196 VanDerWaalsContact CD2-CD1 3.45Å; M192-L196 WeakPolarHBondContact O-CB 3.28Å; M192-L196 WeakPolarHBondContact O-CD1 3.38Å; M192-L196 VanDerWaalsContact O-CG 3.22Å; M192-L196 WeakPolarHBondContact O-CG 3.29Å; M192-L196 PolarHBondContact O-N 3.08Å; V193-L196 PolarHBondContact O-N 3.46Å; G194-L196 PolarHBondContact O-N 2.89Å; L196-H199 PolarHBondContact O-N 3.08Å; L196-M200 WeakPolarHBondContact O-CB 3.35Å; L196-M200 PolarHBondContact O-N 3.12Å
197A91.6Very high91.2Very high1 Ų153 Ų531%0.00826%0.26CS..Hα-helixtrans-63.9-43.9176.100000111.9T13 I135 V193 G194 M200 F201T13-A197 HydrophobicContact CG2-CB 4.44Å; I135-A197 HydrophobicContact CG1-CB 4.42Å; V193-A197 WeakPolarHBondContact O-CB 3.36Å; V193-A197 PolarHBondContact O-N 3.32Å; G194-A197 PolarHBondContact O-N 3.28Å; A197-M200 PolarHBondContact O-N 2.84Å; A197-F201 PolarHBondContact O-N 2.77Å
198V91.3Very high90.7Very high56 Ų5653.9 Ų53.934%0.33927%0.267SS..Hα-helixtrans-65.8-40.9175.2173.50000111.3G194 V195 F201 I202G194-V198 WeakPolarHBondContact O-CG2 3.42Å; G194-V198 PolarHBondContact O-N 2.91Å; V195-V198 PolarHBondContact O-N 2.72Å; V198-F201 WeakPolarHBondContact O-CB 3.39Å; V198-F201 PolarHBondContact O-N 2.9Å; V198-I202 HydrophobicContact CG1-CD1 3.91Å; V198-I202 HydrophobicContact CG1-CG1 4.48Å; V198-I202 WeakPolarHBondContact O-CG1 3.46Å; V198-I202 PolarHBondContact O-N 2.98Å
199H90.6Very high90.2Very high83 Ų8356.6 Ų56.638%0.38427%0.271SS..Hα-helixtrans-61.1-47.3175-171.1-82.7000111.5V195 L196 F201 I202 D203V195-H199 VanDerWaalsContact O-CB 3.31Å; V195-H199 WeakPolarHBondContact O-CB 3.38Å; V195-H199 PolarHBondContact O-N 3.39Å; L196-H199 PolarHBondContact O-N 3.08Å; H199-F201 VanDerWaalsContact C-N 3.3Å; H199-F201 PolarHBondContact O-N 3.38Å; H199-I202 PolarHBondContact O-N 3.27Å; H199-D203 IonicContact CE1-OD2 3.94Å; H199-D203 PolarHBondContact CE1-OD2 3.22Å; H199-D203 IonicContact ND1-OD2 2.99Å; H199-D203 PolarHBondContact ND1-OD2 3.32Å; H199-D203 IonicContact NE2-OD2 2.78Å; H199-D203 PolarHBondContact O-N 3.13Å
200M88.6Confident89.7Confident12 Ų1257.1 Ų57.16%0.05928%0.282CS..Hα-helixtrans-63.5-33.3176.5-179.3157.760.900112.5R6 M10 I135 L196 A197 R204R6-M200 HydrophobicContact CG-SD 4.46Å; M10-M200 HydrophobicContact CB-CE 4.19Å; M10-M200 HydrophobicContact CB-SD 4.27Å; M10-M200 HydrophobicContact CG-CE 4.07Å; I135-M200 HydrophobicContact CD1-CB 4.19Å; I135-M200 HydrophobicContact CD1-CE 3.48Å; I135-M200 VanDerWaalsContact CD1-CE 3.48Å; I135-M200 HydrophobicContact CD1-CG 3.98Å; I135-M200 HydrophobicContact CD1-SD 4.45Å; L196-M200 WeakPolarHBondContact O-CB 3.35Å; L196-M200 PolarHBondContact O-N 3.12Å; A197-M200 PolarHBondContact O-N 2.84Å; M200-R204 VanDerWaalsContact O-CB 3.28Å; M200-R204 WeakPolarHBondContact O-CB 3.13Å; M200-R204 PolarHBondContact O-N 3.06Å
201F89.2Confident89.1Confident35 Ų3562.1 Ų62.115%0.15431%0.309CS..Hα-helixtrans-65.1-49.1170.3172.3-100.1000112H132 I135 L136 A197 V198 H199 D203 R204 H205H132-F201 WeakPolarHBondContact O-CD2 3.29Å; H132-F201 WeakPolarHBondContact O-CE2 3.35Å; I135-F201 HydrophobicContact CG2-CB 4.11Å; I135-F201 HydrophobicContact CG2-CD2 3.86Å; I135-F201 HydrophobicContact CG2-CG 4.46Å; L136-F201 HydrophobicContact CB-CD1 4.34Å; L136-F201 HydrophobicContact CB-CD2 3.89Å; L136-F201 HydrophobicContact CB-CE1 4.39Å; L136-F201 HydrophobicContact CB-CE2 3.91Å; L136-F201 HydrophobicContact CB-CG 4.09Å; L136-F201 HydrophobicContact CB-CZ 4.17Å; L136-F201 HydrophobicContact CD1-CD1 3.87Å; L136-F201 HydrophobicContact CD1-CE1 3.4Å; L136-F201 VanDerWaalsContact CD1-CE1 3.4Å; L136-F201 HydrophobicContact CD1-CE2 4.22Å; L136-F201 HydrophobicContact CD1-CG 4.46Å; L136-F201 HydrophobicContact CD1-CZ 3.59Å; L136-F201 HydrophobicContact CG-CE1 4.5Å; A197-F201 PolarHBondContact O-N 2.77Å; V198-F201 WeakPolarHBondContact O-CB 3.39Å; V198-F201 PolarHBondContact O-N 2.9Å; H199-F201 VanDerWaalsContact C-N 3.3Å; H199-F201 PolarHBondContact O-N 3.38Å; F201-D203 PolarHBondContact O-N 3.05Å; F201-R204 WeakPolarHBondContact O-CB 3.48Å; F201-R204 PolarHBondContact O-N 3.42Å; F201-H205 PolarHBondContact O-N 3.29Å
202I90.4Very high88.5Confident74 Ų7462.4 Ų62.438%0.37932%0.318SS..Hα-helixtrans-59-47.6179.8-71.9166.7000110.6V198 H199 R204 H205 K206V198-I202 HydrophobicContact CG1-CD1 3.91Å; V198-I202 HydrophobicContact CG1-CG1 4.48Å; V198-I202 WeakPolarHBondContact O-CG1 3.46Å; V198-I202 PolarHBondContact O-N 2.98Å; H199-I202 PolarHBondContact O-N 3.27Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 3.04Å; I202-H205 CarbonylContact O-C 3.54Å; I202-H205 PolarHBondContact O-N 3.45Å; I202-H205 VanDerWaalsContact O-N 3.1Å; I202-K206 HydrophobicContact CG2-CD 4.32Å; I202-K206 VanDerWaalsContact CG2-CE 3.49Å; I202-K206 HydrophobicContact CG2-CG 4.49Å; I202-K206 WeakPolarHBondContact O-CG 3.43Å; I202-K206 PolarHBondContact O-N 3.37Å
203D87.4Confident87.8Confident44 Ų4464.8 Ų64.824%0.23532%0.32CS..Hα-helixtrans-67.6-35179.7-78.2-9.1000112.5H199 F201 H205 K206 Q207H199-D203 IonicContact CE1-OD2 3.94Å; H199-D203 PolarHBondContact CE1-OD2 3.22Å; H199-D203 IonicContact ND1-OD2 2.99Å; H199-D203 PolarHBondContact ND1-OD2 3.32Å; H199-D203 IonicContact NE2-OD2 2.78Å; H199-D203 PolarHBondContact O-N 3.13Å; F201-D203 PolarHBondContact O-N 3.05Å; D203-H205 VanDerWaalsContact C-N 3.33Å; D203-K206 PolarHBondContact O-N 2.63Å; D203-K206 IonicContact OD1-NZ 3.28Å; D203-K206 PolarHBondContact OD1-NZ 3.28Å; D203-Q207 VanDerWaalsContact O-CG 3.27Å; D203-Q207 WeakPolarHBondContact O-CG 3.45Å; D203-Q207 PolarHBondContact O-N 3.06Å
204R83.9Confident86.9Confident68 Ų6866.9 Ų66.926%0.25734%0.338SS..Hα-helixtrans-62.1-42.3169.1-173.745.6158-159.7-0.2111.3M200 F201 I202 Q207 L208M200-R204 VanDerWaalsContact O-CB 3.28Å; M200-R204 WeakPolarHBondContact O-CB 3.13Å; M200-R204 PolarHBondContact O-N 3.06Å; F201-R204 WeakPolarHBondContact O-CB 3.48Å; F201-R204 PolarHBondContact O-N 3.42Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 3.04Å; R204-Q207 PolarHBondContact O-N 3.43Å; R204-L208 HydrophobicContact CG-CD1 4.11Å; R204-L208 WeakPolarHBondContact O-CD1 3.36Å; R204-L208 VanDerWaalsContact O-CG 3.26Å; R204-L208 WeakPolarHBondContact O-CG 3.43Å; R204-L208 PolarHBondContact O-N 2.9Å
205H85.7Confident86Confident69 Ų6970.5 Ų70.532%0.31936%0.36SS..Hα-helixtrans-68.4-37.4178.6-160.5-28.1000112.2F201 I202 D203 L208 R209F201-H205 PolarHBondContact O-N 3.29Å; I202-H205 CarbonylContact O-C 3.54Å; I202-H205 PolarHBondContact O-N 3.45Å; I202-H205 VanDerWaalsContact O-N 3.1Å; D203-H205 VanDerWaalsContact C-N 3.33Å; H205-L208 PolarHBondContact O-N 3.45Å; H205-R209 PolarHBondContact CE1-NE 2.96Å; H205-R209 PolarHBondContact CE1-NH2 2.75Å; H205-R209 PolarHBondContact ND1-NE 2.96Å; H205-R209 PolarHBondContact NE2-NH2 2.79Å; H205-R209 WeakPolarHBondContact O-CG 3.41Å; H205-R209 PolarHBondContact O-N 3.41Å
206K87.3Confident84.9Confident122 Ų12271 Ų7153%0.5336%0.36SS..Hα-helixtrans-59.8-47.7171.5-70.6173.1-168.6153.70111I202 D203 L208 R209 A210I202-K206 HydrophobicContact CG2-CD 4.32Å; I202-K206 VanDerWaalsContact CG2-CE 3.49Å; I202-K206 HydrophobicContact CG2-CG 4.49Å; I202-K206 WeakPolarHBondContact O-CG 3.43Å; I202-K206 PolarHBondContact O-N 3.37Å; D203-K206 PolarHBondContact O-N 2.63Å; D203-K206 IonicContact OD1-NZ 3.28Å; D203-K206 PolarHBondContact OD1-NZ 3.28Å; K206-L208 PolarHBondContact O-N 2.91Å; K206-R209 PolarHBondContact O-N 3.23Å; K206-A210 WeakPolarHBondContact O-CB 3.49Å; K206-A210 PolarHBondContact O-N 2.86Å
207Q84.2Confident83.5Confident76 Ų7677.1 Ų77.136%0.35538%0.381SS..Hα-helixtrans-59.8-42.5177.2-73.5168.6-0.300112.4D203 R204 A210 N211D203-Q207 VanDerWaalsContact O-CG 3.27Å; D203-Q207 WeakPolarHBondContact O-CG 3.45Å; D203-Q207 PolarHBondContact O-N 3.06Å; R204-Q207 PolarHBondContact O-N 3.43Å; Q207-A210 PolarHBondContact O-N 3.38Å; Q207-N211 WeakPolarHBondContact O-CB 3.45Å; Q207-N211 VanDerWaalsContact O-CG 3.28Å; Q207-N211 PolarHBondContact O-N 3.27Å; Q207-N211 PolarHBondContact O-OD1 2.98Å
208L83.5Confident82.1Confident63 Ų6382.7 Ų82.733%0.3341%0.41SS..Hα-helixtrans-64.3-42177.3-69162.2000111.9H132 R204 H205 K206 N211 A212H132-L208 WeakPolarHBondContact CD2-CD1 3.49Å; R204-L208 HydrophobicContact CG-CD1 4.11Å; R204-L208 WeakPolarHBondContact O-CD1 3.36Å; R204-L208 VanDerWaalsContact O-CG 3.26Å; R204-L208 WeakPolarHBondContact O-CG 3.43Å; R204-L208 PolarHBondContact O-N 2.9Å; H205-L208 PolarHBondContact O-N 3.45Å; K206-L208 PolarHBondContact O-N 2.91Å; L208-N211 PolarHBondContact O-N 3.29Å; L208-A212 WeakPolarHBondContact O-CB 3.26Å; L208-A212 PolarHBondContact O-N 2.88Å
209R84.9Confident80.8Confident150 Ų15086 Ų8657%0.56642%0.422SS*.Hα-helixtrans-65.5-37.5174.3-71.8-179.7-172.7162.59.8112.5H205 K206 R213H205-R209 PolarHBondContact CE1-NE 2.96Å; H205-R209 PolarHBondContact CE1-NH2 2.75Å; H205-R209 PolarHBondContact ND1-NE 2.96Å; H205-R209 PolarHBondContact NE2-NH2 2.79Å; H205-R209 WeakPolarHBondContact O-CG 3.41Å; H205-R209 PolarHBondContact O-N 3.41Å; K206-R209 PolarHBondContact O-N 3.23Å; R209-R213 WeakPolarHBondContact O-CG 3.4Å; R209-R213 PolarHBondContact O-N 2.79Å
210A85.9Confident79.2Confident55 Ų5585.4 Ų85.446%0.45543%0.427SS..Hα-helixtrans-66.5-45176.300000111.6K206 Q207 R213 A214K206-A210 WeakPolarHBondContact O-CB 3.49Å; K206-A210 PolarHBondContact O-N 2.86Å; Q207-A210 PolarHBondContact O-N 3.38Å; A210-R213 PolarHBondContact O-N 3.41Å; A210-A214 PolarHBondContact O-N 3Å
211N81.8Confident77.7Confident106 Ų10686.8 Ų86.857%0.56744%0.438SS*.Hα-helixtrans-65.4-40.7177.4-71.4-0.8000112Q207 L208 A214 T215Q207-N211 WeakPolarHBondContact O-CB 3.45Å; Q207-N211 VanDerWaalsContact O-CG 3.28Å; Q207-N211 PolarHBondContact O-N 3.27Å; Q207-N211 PolarHBondContact O-OD1 2.98Å; L208-N211 PolarHBondContact O-N 3.29Å; N211-A214 WeakPolarHBondContact O-CB 3.48Å; N211-A214 PolarHBondContact O-N 2.91Å; N211-T215 PolarHBondContact O-N 2.73Å; N211-T215 PolarHBondContact O-OG1 2.98Å
212A82.6Confident76.1Confident45 Ų4587.8 Ų87.837%0.37245%0.452SS..Hα-helixtrans-59.2-47.4175.700000111.8L208 A214 T215 D216L208-A212 WeakPolarHBondContact O-CB 3.26Å; L208-A212 PolarHBondContact O-N 2.88Å; A212-A214 VanDerWaalsContact C-N 3.32Å; A212-A214 PolarHBondContact O-N 3.35Å; A212-T215 WeakPolarHBondContact CA-OG1 3.33Å; A212-T215 PolarHBondContact O-N 3.01Å; A212-T215 PolarHBondContact O-OG1 2.82Å; A212-D216 VanDerWaalsContact O-CG 3.24Å; A212-D216 PolarHBondContact O-N 2.84Å
213R79.8Confident74.5Confident164 Ų16489.6 Ų89.662%0.61946%0.461SS*.Hα-helixtrans-59.8-42.2173.6-70.3172.7-180170.5-2.4111.8R209 A210 T215 D216 Y217R209-R213 WeakPolarHBondContact O-CG 3.4Å; R209-R213 PolarHBondContact O-N 2.79Å; A210-R213 PolarHBondContact O-N 3.41Å; R213-T215 VanDerWaalsContact C-N 3.34Å; R213-T215 PolarHBondContact O-N 2.9Å; R213-D216 PolarHBondContact O-N 2.91Å; R213-Y217 HydrophobicContact CB-CE2 4.32Å; R213-Y217 WeakPolarHBondContact O-CD2 3.36Å; R213-Y217 PolarHBondContact O-N 2.83Å
214A76.4Confident73Confident47 Ų4793.1 Ų93.139%0.38849%0.485SS..Hα-helixtrans-63.6-37.3176.900000112.7A210 N211 A212 L218A210-A214 PolarHBondContact O-N 3Å; N211-A214 WeakPolarHBondContact O-CB 3.48Å; N211-A214 PolarHBondContact O-N 2.91Å; A212-A214 VanDerWaalsContact C-N 3.32Å; A212-A214 PolarHBondContact O-N 3.35Å; A214-L218 WeakPolarHBondContact O-CB 3.11Å; A214-L218 WeakPolarHBondContact O-CG 3.04Å; A214-L218 PolarHBondContact O-N 3.15Å
215T74.2Confident71.6Confident77 Ų7799.4 Ų99.447%0.47251%0.509SS..Hα-helixtrans-68.7-37172.746.70000112.2N211 A212 R213 L218 Q219N211-T215 PolarHBondContact O-N 2.73Å; N211-T215 PolarHBondContact O-OG1 2.98Å; A212-T215 WeakPolarHBondContact CA-OG1 3.33Å; A212-T215 PolarHBondContact O-N 3.01Å; A212-T215 PolarHBondContact O-OG1 2.82Å; R213-T215 VanDerWaalsContact C-N 3.34Å; R213-T215 PolarHBondContact O-N 2.9Å; T215-L218 PolarHBondContact O-N 3.06Å; T215-Q219 VanDerWaalsContact O-CB 3.23Å; T215-Q219 WeakPolarHBondContact O-CB 3.23Å; T215-Q219 PolarHBondContact O-N 2.9Å
216D71.1Confident70Confident97 Ų97102.3 Ų102.352%0.51953%0.525SS..Hα-helixtrans-64.4-41.3175.4-63.1-28.3000111.6A212 R213 S220A212-D216 VanDerWaalsContact O-CG 3.24Å; A212-D216 PolarHBondContact O-N 2.84Å; R213-D216 PolarHBondContact O-N 2.91Å; D216-S220 VanDerWaalsContact O-CB 3.24Å; D216-S220 WeakPolarHBondContact O-CB 3.37Å; D216-S220 PolarHBondContact O-N 2.85Å; D216-S220 PolarHBondContact O-OG 2.88Å
217Y62.3Low68Low176 Ų176101.4 Ų101.469%0.6953%0.532SS*.Hα-helixtrans-64.5-44.7172.8-70.8-59.8000112R213 S220 S221R213-Y217 HydrophobicContact CB-CE2 4.32Å; R213-Y217 WeakPolarHBondContact O-CD2 3.36Å; R213-Y217 PolarHBondContact O-N 2.83Å; Y217-S220 PolarHBondContact O-N 3.08Å; Y217-S221 WeakPolarHBondContact O-CB 3.4Å; Y217-S221 PolarHBondContact O-N 3.31Å; Y217-S221 PolarHBondContact O-OG 3.41Å
218L63.1Low66.5Low118 Ų118103.7 Ų103.762%0.61856%0.556SS**Hα-helixtrans-64.6-43.4177.8-81.9169.6000112A214 T215 S221 A222A214-L218 WeakPolarHBondContact O-CB 3.11Å; A214-L218 WeakPolarHBondContact O-CG 3.04Å; A214-L218 PolarHBondContact O-N 3.15Å; T215-L218 PolarHBondContact O-N 3.06Å; L218-S221 WeakPolarHBondContact CA-OG 3.22Å; L218-S221 CarbonylContact O-C 3.55Å; L218-S221 PolarHBondContact O-N 3.33Å; L218-S221 PolarHBondContact O-OG 3.36Å; L218-A222 WeakPolarHBondContact O-CB 3.03Å; L218-A222 PolarHBondContact O-N 3.15Å
219Q63.5Low64.9Low125 Ų125111 Ų11158%0.58458%0.581SS**Hα-helixtrans-67.8-39.7178.5-173.1162.5-27.100111.5T215 S221 A222 I223T215-Q219 VanDerWaalsContact O-CB 3.23Å; T215-Q219 WeakPolarHBondContact O-CB 3.23Å; T215-Q219 PolarHBondContact O-N 2.9Å; Q219-S221 VanDerWaalsContact C-N 3.34Å; Q219-S221 PolarHBondContact O-N 2.04Å; Q219-A222 PolarHBondContact O-N 3.33Å; Q219-I223 HydrophobicContact CG-CD1 4.19Å; Q219-I223 VanDerWaalsContact O-CG1 3.3Å; Q219-I223 WeakPolarHBondContact O-CG1 3.46Å; Q219-I223 PolarHBondContact O-N 3.14Å
220S57.3Low63.3Low71 Ų71114.2 Ų114.250%0.49759%0.593SS.*Hα-helixtrans-60.1-43.4170.5-59.20000111.5D216 Y217 A222 I223 T224D216-S220 VanDerWaalsContact O-CB 3.24Å; D216-S220 WeakPolarHBondContact O-CB 3.37Å; D216-S220 PolarHBondContact O-N 2.85Å; D216-S220 PolarHBondContact O-OG 2.88Å; Y217-S220 PolarHBondContact O-N 3.08Å; S220-A222 VanDerWaalsContact C-N 3.32Å; S220-A222 PolarHBondContact O-N 3.23Å; S220-I223 PolarHBondContact O-N 2.04Å; S220-T224 PolarHBondContact O-N 3Å; S220-T224 VanDerWaalsContact O-N 3.13Å; S220-T224 PolarHBondContact O-OG1 3.42Å
221S57.7Low61.3Low41 Ų41120.9 Ų120.929%0.28761%0.607SS.*Hα-helixtrans-70.8-24.417779.10000114.1Y217 L218 Q219 T224 R225Y217-S221 WeakPolarHBondContact O-CB 3.4Å; Y217-S221 PolarHBondContact O-N 3.31Å; Y217-S221 PolarHBondContact O-OG 3.41Å; L218-S221 WeakPolarHBondContact CA-OG 3.22Å; L218-S221 CarbonylContact O-C 3.55Å; L218-S221 PolarHBondContact O-N 3.33Å; L218-S221 PolarHBondContact O-OG 3.36Å; Q219-S221 VanDerWaalsContact C-N 3.34Å; Q219-S221 PolarHBondContact O-N 2.04Å; S221-T224 WeakPolarHBondContact CA-OG1 3.37Å; S221-T224 PolarHBondContact O-OG1 3.22Å; S221-T224 VanDerWaalsContact O-OG1 3.13Å; S221-R225 WeakPolarHBondContact O-CB 3.08Å; S221-R225 VanDerWaalsContact O-CG 3.31Å; S221-R225 WeakPolarHBondContact O-CG 3.46Å; S221-R225 PolarHBondContact O-N 3.2Å
222A55.8Low59.6Low55 Ų55127.3 Ų127.346%0.45562%0.624SS.*Hα-helixtrans-77.7-38.5174.200000111.2L218 Q219 S220 T224 R225L218-A222 WeakPolarHBondContact O-CB 3.03Å; L218-A222 PolarHBondContact O-N 3.15Å; Q219-A222 PolarHBondContact O-N 3.33Å; S220-A222 VanDerWaalsContact C-N 3.32Å; S220-A222 PolarHBondContact O-N 3.23Å; A222-T224 VanDerWaalsContact C-N 3.33Å; A222-R225 PolarHBondContact O-N 2.97Å
223I56.8Low57.6Low112 Ų112136.5 Ų136.557%0.57465%0.651SS**Hα-helixtrans-64.8-37.4174.7-69.3165.3000110.8Q219 S220 R225Q219-I223 HydrophobicContact CG-CD1 4.19Å; Q219-I223 VanDerWaalsContact O-CG1 3.3Å; Q219-I223 WeakPolarHBondContact O-CG1 3.46Å; Q219-I223 PolarHBondContact O-N 3.14Å; S220-I223 PolarHBondContact O-N 2.04Å; I223-R225 PolarHBondContact O-N 2.93Å
224T56.3Low55.8Low118 Ų118136.9 Ų136.972%0.72466%0.66SS**THydrogen-bonded Turntrans-75.3-6.6172.358.30000114.6S220 S221 A222S220-T224 PolarHBondContact O-N 3Å; S220-T224 VanDerWaalsContact O-N 3.13Å; S220-T224 PolarHBondContact O-OG1 3.42Å; S221-T224 WeakPolarHBondContact CA-OG1 3.37Å; S221-T224 PolarHBondContact O-OG1 3.22Å; S221-T224 VanDerWaalsContact O-OG1 3.13Å; A222-T224 VanDerWaalsContact C-N 3.33Å
225R53Low54.1Low201 Ų201146.5 Ų146.576%0.75869%0.686SS**THydrogen-bonded Turntrans-97.31177.5-86.7-176.4-173.9177.35.4114.9S221 A222 I223 P227S221-R225 WeakPolarHBondContact O-CB 3.08Å; S221-R225 VanDerWaalsContact O-CG 3.31Å; S221-R225 WeakPolarHBondContact O-CG 3.46Å; S221-R225 PolarHBondContact O-N 3.2Å; A222-R225 PolarHBondContact O-N 2.97Å; I223-R225 PolarHBondContact O-N 2.93Å; R225-P227 WeakPolarHBondContact O-CD 3.18Å
226I52.9Low52.5Low130 Ų130154.5 Ų154.567%0.66771%0.707SS**SBendtrans-70.9112.2170.2-57.6176.1000107.9S228I226-S228 PolarHBondContact O-N 2.58Å
227P45.9Very low50.7Low103 Ų103155.1 Ų155.167%0.66972%0.719SS**  trans-74.4117.3179.8-9.327.4000108.6R225 Y229R225-P227 WeakPolarHBondContact O-CD 3.18Å; P227-Y229 PolarHBondContact O-N 3.07Å
228S52.6Low49.5Very low124 Ų124158 Ų15887%0.86773%0.729SS**  trans-72.454.7174.247.60000112.1I226I226-S228 PolarHBondContact O-N 2.58Å
229Y50.1Low48.1Very low216 Ų216157.4 Ų157.485%0.84773%0.734SS**  trans-113.99.4-173.5-111.3-81.8000114.6P227P227-Y229 PolarHBondContact O-N 3.07Å
230R51.2Low46.6Very low218 Ų218156.7 Ų156.782%0.82374%0.743SS**SBendtrans-97.8130.8175.1-141.9171.1-174.41491.6110.3
231Y43.3Very low45.5Very low194 Ų194158.8 Ų158.876%0.76176%0.758SS**SBendtrans79.359179.1-63.1-80.8000118.7
232R46.4Very low44.3Very low242 Ų242168.7 Ų168.791%0.91379%0.789SS**SBendtrans-133.228.7152.2-144.3-175.4-1591728.5115.5
233Y40.5Very low43.3Very low237 Ų237170.5 Ų170.593%0.92980%0.798SS**  trans-138.368.6178.2-96.4-83.3000112.8
234Q41.9Very low42.2Very low173 Ų173170.9 Ų170.981%0.80881%0.806SS**  trans-150.452.6165.4-143.3159.97.600114.2
235R41.1Very low41.2Very low248 Ų248173.3 Ų173.394%0.93681%0.809SS**  trans-141.5131.7157.2-87.7-170.7-178.4178.32111.6
236R39.1Very low40.7Very low245 Ų245168.7 Ų168.793%0.92581%0.805SS**  trans99.590149.8-150.1175.7-146.3172.24.8119.5
237S33.1Very low39.8Very low110 Ų110167.9 Ų167.977%0.76981%0.811SS**  trans-165.9120.6131.9-780000106.6
238R38.3Very low39.1Very low238 Ų238171.8 Ų171.890%0.89882%0.82SS**  49.6129.785.9-78.6-176.2169.3174.7-5112.9
239S33.7Very low38.3Very low104 Ų104170.1 Ų170.173%0.72781%0.808SS**  cis178.1137.1-5.6430000110.6
240S31.8Very low37.7Very low111 Ų111170.1 Ų170.178%0.77681%0.807SS**  trans173.5120144.157.30000115.7
241S33.7Very low36.7Very low115 Ų115165.9 Ų165.980%0.80480%0.8SS**  49.7138.7129.5-50.10000124.9
242R33Very low36.2Very low249 Ų249161.3 Ų161.394%0.9480%0.803SS**  trans77.3138.1167.9-65.4-178173.6-173-2.8116.2
243S34.7Very low35.4Very low93 Ų93155.3 Ų155.365%0.6580%0.798SS**  cis-164.4164.1-6.548.50000113
244T33.8Very low35.8Very low119 Ų119149.2 Ų149.273%0.7379%0.787SS**  trans68.6130148.543.10000122.8
245E34.9Very low35.3Very low169 Ų169147.2 Ų147.279%0.7979%0.787SS**  trans95.1127.6147.1-110.548.7-135.400122.2
246P43.5Very low34.7Very low104 Ų104138.8 Ų138.868%0.67578%0.777SS**  trans-111.8161.6-173.441.8-33.1000114.4
247S33.1Very low34.4Very low114 Ų114134.2 Ų134.280%0.79777%0.769SS**  trans-165.5136.2147.14.40000113
248H31.9Very low34.3Very low184 Ų184139 Ų13985%0.85278%0.776SS**  trans21.7136.3130.4-78.1-99.7000118.6
249S35.2Very low33.9Very low89 Ų89131.1 Ų131.162%0.62277%0.77SS**  cis-178.9159.924.542.50000112.1
250R38.3Very low33.8Very low216 Ų216135.3 Ų135.382%0.81578%0.775SS**  trans48.5148.1137.4-65.4-176136.5132.32.7120.7
251D30.7Very low33.6Very low129 Ų129136.2 Ų136.269%0.6977%0.771SS**  cis-164167.4-9.7-100.6-27.6000108.1
252A31.4Very low33.6Very low98 Ų98137.4 Ų137.481%0.8177%0.774SS**  trans56.8114.2151.400000122.5
253S30.3Very low33.8Very low116 Ų116133.6 Ų133.681%0.81177%0.771SS**  trans-87.2179.5140-131.40000108.9
254P48.4Very low33.8Very low109 Ų109134.9 Ų134.971%0.70878%0.777SS**  cis-146.9-168.211.230.6-3000117.2
255V32Very low33.9Very low132 Ų132134.7 Ų134.780%0.878%0.781SS**  trans76.1130.7157.3-1620000119.8
256G28.9Very low33.8Very low70 Ų70133.1 Ų133.172%0.72278%0.783SS**  trans178.921.6172.500000123.7
257I32.5Very low33.3Very low150 Ų150137.3 Ų137.377%0.76979%0.793SS**  trans46.9125.2152.7-61.3178.4000122.1
258K31.3Very low33.6Very low209 Ų209139.7 Ų139.791%0.90980%0.795SS**  trans64.9131.2155.8-80.6175173.71780121
259G29.7Very low33.6Very low74 Ų74135.2 Ų135.276%0.76379%0.785SS**  trans165.366.215600000119.7
260F30.4Very low33.7Very low192 Ų192139.4 Ų139.484%0.84280%0.797SS**  trans52.5133.8149.6-96-112.7000123.9
261N28.5Very low33.4Very low129 Ų129139.8 Ų139.869%0.6980%0.8SS**  trans64.9109.1149.2-67.30.5000122.3
262T34.2Very low33.8Very low141 Ų141139.3 Ų139.387%0.86580%0.802SS**  -170.3156.4102.121.90000111.2
263L35.5Very low33.8Very low169 Ų169143 Ų14389%0.88581%0.807SS**PPolyproline II helixtrans-78.1150.5-169.4-67.285.1000113.8
264P35.6Very low33.8Very low119 Ų119144.2 Ų144.277%0.77381%0.81SS**PPolyproline II helixtrans-92.2155.4161.236.6-31.7000112.9
265S35.1Very low33.2Very low115 Ų115150.6 Ų150.680%0.80482%0.82SS**PPolyproline II helixtrans-61.9147.3171.651.40000114.4
266T33Very low33.1Very low137 Ų137151.8 Ų151.884%0.8482%0.822SS**  trans-133.8143.5158.540.90000112.2
267E34Very low33.5Very low191 Ų191154 Ų15489%0.89382%0.823SS**  trans-86.3146.7-176.6-50.5164.6128.300110.8
268I38.4Very low33.4Very low164 Ų164155 Ų15584%0.84183%0.83SS**  trans-136.394.7164.2-56.5-176.8000111.7
269S32.4Very low33.3Very low91 Ų91155 Ų15564%0.63683%0.83SS**  trans24.3124.4134.2-161.40000120.3
270M36.7Very low33.3Very low176 Ų176155.6 Ų155.687%0.86783%0.827SS**  trans-62.6144.3151.7-64.4-179.9-77.400110.6
271Y32.2Very low33.2Very low224 Ų224152.5 Ų152.588%0.87882%0.824SS**  trans-158.5154141.2-97-65.8000111.9
272T39.3Very low33.3Very low120 Ų120152.7 Ų152.774%0.73683%0.83SS**  trans-73.3142.6-176.650.60000114
273L31.6Very low33Very low176 Ų176151.9 Ų151.992%0.92183%0.825SS**  trans-143.5119.4147.5-83.5-175.2000112
274T30.4Very low33.3Very low141 Ų141148.8 Ų148.887%0.86582%0.815SS**  trans-117121.3161.5-58.30000107.3
275R35.5Very low32.9Very low242 Ų242149.5 Ų149.591%0.91382%0.817SS**  trans-167.5110.2163.2-120.9178-178.3158.61.9111.6
276D29.7Very low32.6Very low158 Ų158148.6 Ų148.685%0.84582%0.817SS**  trans-86.2153.2150.5-74.3-45.2000108.4
277P37.8Very low32.3Very low116 Ų116147.9 Ų147.975%0.75381%0.813SS**  -146.6158.789.536.2-18000117.1
278L30.1Very low32Very low172 Ų172149.2 Ų149.290%0.90181%0.811SS**  trans-6.4131.6166.1-72.673.6000120
279K29.4Very low31.5Very low209 Ų209148.7 Ų148.791%0.90981%0.81SS**  -157.4133.4121.8-147170.7-176.3178.30112.3
280A29.1Very low31.4Very low86 Ų86149 Ų14971%0.71181%0.812SS**  trans-87.3158.9171.800000111.5
281T28.6Very low30.9Very low127 Ų127148.1 Ų148.178%0.77981%0.811SS**  177.3144.6126.9-55.20000110.8
282T30.7Very low30.9Very low132 Ų132147.9 Ų147.981%0.8181%0.808SS**  trans71.9120.1158.226.30000123.4
283T27.1Very low30.4Very low125 Ų125147.5 Ų147.577%0.76780%0.802SS**  trans-76.1-172.8150.852.10000111.4
284P43Very low30.5Very low103 Ų103146.6 Ų146.667%0.66980%0.798SS**  cis-137.6-176.7-0.435.3-12.5000116.5
285T27.4Very low30.5Very low134 Ų134144.9 Ų144.982%0.82279%0.792SS**  trans43.6126.8148.348.60000122.2
286A29.2Very low30.2Very low96 Ų96142.5 Ų142.579%0.79379%0.788SS**  -173.8142.6116.400000114.1
287T26.7Very low30.9Very low123 Ų123142 Ų14276%0.75579%0.785SS**  trans-49.9146.1162.246.80000115.6
288Y26.3Very low30.8Very low218 Ų218145.6 Ų145.686%0.85579%0.792SS**  -177.6146.5103.7-127.1-103.4000112.7
289N28.8Very low31Very low153 Ų153143.8 Ų143.882%0.81879%0.787SS**  trans-97.3133.5163.7-94.1-23.9000108.9
290S29.1Very low31.2Very low98 Ų98142.1 Ų142.169%0.68578%0.783SS**  trans177.9129.1131.258.20000110.8
291D27.6Very low31.3Very low157 Ų157144.7 Ų144.784%0.8478%0.784SS**  trans34.9126.1139-50.3-56000119.7
292R30.6Very low31.3Very low220 Ų220144 Ų14483%0.8378%0.784SS**  -178.9129.492.4-167.5160.4177.2-179.4-7114.1
293D30.1Very low31.4Very low111 Ų111145 Ų14559%0.59478%0.782SS**  trans34.7120.9153.1-46.4-29.5000120.5
294N33.4Very low31.4Very low158 Ų158147.4 Ų147.485%0.84579%0.785SS**  -170.8136.389.2-97-62.4000115.2
295S29.7Very low30.8Very low105 Ų105149.8 Ų149.873%0.73478%0.784SS**  trans-39.4128.4166.8177.70000115.1
296F30.4Very low30.8Very low192 Ų192149.6 Ų149.684%0.84277%0.774SS**  trans-152.8145.4144.1-133.3-101.9000110.9
297L43.4Very low30.8Very low148 Ų148152 Ų15278%0.77577%0.774SS**  trans74.964.2179.1-50.3-174.9000117.1
298Q35.8Very low30.8Very low191 Ų191154.8 Ų154.889%0.89378%0.775SS**PPolyproline II helixtrans-50127155.8-168.2173.620.900112
299V34.8Very low30.9Very low134 Ų134151.9 Ų151.981%0.81278%0.775SS**PPolyproline II helixtrans-80129.9178171.20000110.8N301V299-N301 PolarHBondContact O-N 2.93Å
300H32.8Very low30.9Very low174 Ų174148.8 Ų148.881%0.80677%0.765SS**PPolyproline II helixtrans-71.6117.1175.9-124.8-90000110.9
301N33Very low31.1Very low140 Ų140151.2 Ų151.275%0.74977%0.769SS**  trans-98109.1174-166.19.9000109.2V299V299-N301 PolarHBondContact O-N 2.93Å
302C27.4Very low31.2Very low113 Ų113152 Ų15276%0.76477%0.768SS**  trans-95.896.6-178.7-77.30000111.7
303I32.9Very low31.2Very low153 Ų153147 Ų14779%0.78576%0.762SS**  trans-105.8130157.2-66.2178.7000108.6
304Q28.1Very low31.3Very low175 Ų175149.1 Ų149.182%0.81877%0.773SS**  trans-151143.8172.7-127-173.3-2.900104.4
305K30.4Very low31.2Very low152 Ų152148 Ų14866%0.66177%0.772SS**  cis-160.8172.91.4-138.3-177.3176.2-140.10104.9
306E26.4Very low31.5Very low130 Ų130147.3 Ų147.361%0.60777%0.772SS**  cis-153.1125.21-167.5141.7-142.900106.8
307N28.3Very low31.7Very low148 Ų148146.4 Ų146.479%0.79178%0.776SS**  52.7130.1103.5-143.316.8000117.8
308K28.2Very low31.5Very low180 Ų180150.2 Ų150.278%0.78378%0.78SS**  trans77.5110.8161.4-139.4176.6-170.8-178.70118
309D28.4Very low31.8Very low157 Ų157152.9 Ų152.984%0.8478%0.782SS**  -162.1142.1107.9-99.3-18.8000113.6
310S29.2Very low32.4Very low89 Ų89152 Ų15262%0.62278%0.777SS**  trans-105.7151.3168.853.20000108.8
311I32.2Very low32.8Very low148 Ų148150.2 Ų150.276%0.75978%0.779SS**  trans124.5123.5155.6-64.4156.5000115.2
312H30.2Very low33.6Very low175 Ų175149.3 Ų149.381%0.8178%0.781SS**  trans73.7143.2156.6-83.8-53.7000124.4
313T30.2Very low34.1Very low115 Ų115154.5 Ų154.571%0.70681%0.808SS**  trans74.8133.717174.90000115.6
314N31.5Very low34.2Very low155 Ų155154.6 Ų154.683%0.82981%0.81SS**  cis-125.3149.819.6-85-73.5000115.5
315T32.8Very low34.5Very low134 Ų134153.5 Ų153.582%0.82281%0.809SS**  trans-82.7155.7-176.9-43.80000111.8
316A35.6Very low34.7Very low90 Ų90153.6 Ų153.674%0.74482%0.817SS**  trans-51.4153.4173.800000113.9
317N35.2Very low35.2Very low174 Ų174155 Ų15593%0.9383%0.83SS**  trans-133.1131.1153.8-133.3-14.8000111.4
318R37.9Very low35.6Very low228 Ų228155.4 Ų155.486%0.8683%0.832SS**  trans-109124.8-166.5-177.2-169.6-164.9-1667107.9
319R42.9Very low36.1Very low247 Ų247153.8 Ų153.893%0.93284%0.835SS**  trans-140.2111.8165.1-128.5177.6-154.81747.2112.3
320T46.8Very low36.7Very low115 Ų115153.6 Ų153.671%0.70684%0.835SS**  trans-82.7143.5170.344.70000110.8
321T41Very low37.3Very low136 Ų136158.5 Ų158.583%0.83485%0.852SS**  trans-137.6125154.146.90000108.2
322P50.6Low37.7Very low122 Ų122159.4 Ų159.479%0.79286%0.859SS**  trans-94.8133.9175.134.9-29.5000111.4
323V37.8Very low38.4Very low222 Ų222158 Ų158100%1.34586%0.864SS**  trans-151.50130.1-179.30000106.1

Retrieved 323 of 323 residues in 258.9 ms (Link to these results)

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