A0A087XX48_POEFO Loading...

5'-deoxynucleotidase HDDC2

Catalyzes the dephosphorylation of the nucleoside 5'-monophosphates deoxyadenosine monophosphate (dAMP), deoxycytidine monophosphate (dCMP), deoxyguanosine monophosphate (dGMP) and deoxythymidine monophosphate (dTMP).

AlphaFold DB , UniProt , Accession A0A087XX48, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M60.8Low71.1Confident215 Ų215104.4 Ų104.4100%1.05960%0.6SS**  0-56.80-67.4-164.2-119.600112A3 H4 S5M1-A3 PolarHBondContact O-N 3.14Å; M1-H4 WeakPolarHBondContact O-CA 3.48Å; M1-H4 WeakPolarHBondContact O-CB 3.27Å; M1-H4 PolarHBondContact O-N 3.36Å; M1-S5 PolarHBondContact O-N 3.43Å; M1-S5 VanDerWaalsContact O-N 3.12Å
2A60.8Low73.1Confident69 Ų69101.9 Ų101.957%0.5759%0.594SS**Hα-helixtrans-44.7-59.8179.700000114.7H4 S5 E6A2-H4 PolarHBondContact O-N 3.27Å; A2-S5 CarbonylContact O-C 3.58Å; A2-S5 WeakPolarHBondContact O-CA 3.3Å; A2-S5 WeakPolarHBondContact O-CB 3.39Å; A2-S5 PolarHBondContact O-N 3.32Å; A2-E6 PolarHBondContact O-N 3.05Å
3A63.3Low74.9Confident71 Ų7199.8 Ų99.859%0.58758%0.579SS**Hα-helixtrans-57.7-23.6178.800000115.1M1 K7M1-A3 PolarHBondContact O-N 3.14Å; A3-K7 VanDerWaalsContact O-CB 3.29Å; A3-K7 WeakPolarHBondContact O-CB 3.47Å; A3-K7 PolarHBondContact O-N 3.18Å; A3-K7 VanDerWaalsContact O-N 3.16Å
4H61.4Low76.4Confident156 Ų15695.8 Ų95.872%0.72255%0.553SS**Hα-helixtrans-80.5-35175.1-149.681.8000111.2M1 A2 S8M1-H4 WeakPolarHBondContact O-CA 3.48Å; M1-H4 WeakPolarHBondContact O-CB 3.27Å; M1-H4 PolarHBondContact O-N 3.36Å; A2-H4 PolarHBondContact O-N 3.27Å; H4-S8 WeakPolarHBondContact O-CB 3.36Å; H4-S8 PolarHBondContact O-N 2.89Å
5S66.9Low77.8Confident82 Ų8295.8 Ų95.857%0.57355%0.55SS*.Hα-helixtrans-70.4-40.9173-165.70000112M1 A2 S8 A9M1-S5 PolarHBondContact O-N 3.43Å; M1-S5 VanDerWaalsContact O-N 3.12Å; A2-S5 CarbonylContact O-C 3.58Å; A2-S5 WeakPolarHBondContact O-CA 3.3Å; A2-S5 WeakPolarHBondContact O-CB 3.39Å; A2-S5 PolarHBondContact O-N 3.32Å; S5-S8 PolarHBondContact O-N 2.8Å; S5-A9 PolarHBondContact O-N 3.08Å
6E69.6Low79.1Confident135 Ų13594.8 Ų94.863%0.63154%0.539SS*.Hα-helixtrans-63.2-45.9174.2-70.6169.216600111.2A2 S8 A9 G10A2-E6 PolarHBondContact O-N 3.05Å; E6-S8 VanDerWaalsContact C-N 3.31Å; E6-S8 PolarHBondContact O-N 3.2Å; E6-A9 PolarHBondContact O-N 3.31Å; E6-G10 PolarHBondContact O-N 3.01Å
7K72.9Confident80.2Confident147 Ų14789.9 Ų89.964%0.63951%0.51SS*.Hα-helixtrans-60.8-39.4174.2-172.1174.7-177.2177.60112A3 M11A3-K7 VanDerWaalsContact O-CB 3.29Å; A3-K7 WeakPolarHBondContact O-CB 3.47Å; A3-K7 PolarHBondContact O-N 3.18Å; A3-K7 VanDerWaalsContact O-N 3.16Å; K7-M11 VanDerWaalsContact O-CG 3.3Å; K7-M11 WeakPolarHBondContact O-CG 3.43Å; K7-M11 PolarHBondContact O-N 3.42Å
8S73Confident81.2Confident82 Ų8290.8 Ų90.857%0.57351%0.511SS*.Hα-helixtrans-64.7-44.6175.8-179.60000112.2H4 S5 E6 M11 S12H4-S8 WeakPolarHBondContact O-CB 3.36Å; H4-S8 PolarHBondContact O-N 2.89Å; S5-S8 PolarHBondContact O-N 2.8Å; E6-S8 VanDerWaalsContact C-N 3.31Å; E6-S8 PolarHBondContact O-N 3.2Å; S8-M11 PolarHBondContact O-N 3.29Å; S8-S12 PolarHBondContact O-N 3.32Å
9A75.8Confident82.2Confident52 Ų5291.9 Ų91.943%0.4351%0.509SS..Hα-helixtrans-62.2-44.8175.200000112.1S5 E6 M11 S12 N13S5-A9 PolarHBondContact O-N 3.08Å; E6-A9 PolarHBondContact O-N 3.31Å; A9-M11 VanDerWaalsContact C-N 3.33Å; A9-M11 PolarHBondContact O-N 3.03Å; A9-S12 WeakPolarHBondContact O-CB 3.44Å; A9-S12 PolarHBondContact O-N 3.34Å; A9-S12 VanDerWaalsContact O-N 3.13Å; A9-N13 PolarHBondContact O-N 3.12Å
10G86.5Confident83Confident25 Ų2588.3 Ų88.326%0.25849%0.489SS..Hα-helixtrans-60.3-38.8176.200000113.4E6 N13 M14E6-G10 PolarHBondContact O-N 3.01Å; G10-N13 PolarHBondContact O-N 3.1Å; G10-M14 WeakPolarHBondContact O-CB 3.31Å; G10-M14 PolarHBondContact O-N 3.45Å
11M91.1Very high83.7Confident114 Ų11486.1 Ų86.156%0.56248%0.476SS*.Hα-helixtrans-71.5-31.6174.6-66.3-63.994.300113K7 S8 A9 M14 L15K7-M11 VanDerWaalsContact O-CG 3.3Å; K7-M11 WeakPolarHBondContact O-CG 3.43Å; K7-M11 PolarHBondContact O-N 3.42Å; S8-M11 PolarHBondContact O-N 3.29Å; A9-M11 VanDerWaalsContact C-N 3.33Å; A9-M11 PolarHBondContact O-N 3.03Å; M11-M14 HydrophobicContact CE-CB 4.38Å; M11-L15 WeakPolarHBondContact O-CB 3.4Å; M11-L15 PolarHBondContact O-N 2.8Å
12S94.5Very high85.5Confident75 Ų7577 Ų7752%0.52444%0.437SS..Hα-helixtrans-63.4-44.6171.2-168.30000111.5S8 A9 L15 Q16S8-S12 PolarHBondContact O-N 3.32Å; A9-S12 WeakPolarHBondContact O-CB 3.44Å; A9-S12 PolarHBondContact O-N 3.34Å; A9-S12 VanDerWaalsContact O-N 3.13Å; S12-L15 PolarHBondContact O-N 2.76Å; S12-Q16 PolarHBondContact O-N 2.93Å
13N96.6Very high87.3Confident74 Ų7476.9 Ų76.940%0.39643%0.425SS..Hα-helixtrans-65.3-42.8176.6-68-2.9000111.8A9 G10 L15 Q16 F17 L109A9-N13 PolarHBondContact O-N 3.12Å; G10-N13 PolarHBondContact O-N 3.1Å; N13-L15 VanDerWaalsContact C-N 3.33Å; N13-L15 PolarHBondContact O-N 3.16Å; N13-Q16 WeakPolarHBondContact O-CB 3.36Å; N13-Q16 PolarHBondContact O-N 3.25Å; N13-Q16 VanDerWaalsContact O-N 3.1Å; N13-F17 PolarHBondContact O-N 3.33Å; N13-L109 HydrophobicContact CB-CB 4.39Å; N13-L109 HydrophobicContact CB-CD2 4.41Å; N13-L109 VanDerWaalsContact CB-O 3.29Å; N13-L109 WeakPolarHBondContact CB-O 3.38Å
14M96.5Very high89Confident44 Ų4473.6 Ų73.622%0.21740%0.397CS..Hα-helixtrans-59.6-41.7173.8-17660.868.900112.1G10 M11 Q16 F17 M18 L110 L114G10-M14 WeakPolarHBondContact O-CB 3.31Å; G10-M14 PolarHBondContact O-N 3.45Å; M11-M14 HydrophobicContact CE-CB 4.38Å; M14-Q16 VanDerWaalsContact C-N 3.33Å; M14-Q16 PolarHBondContact O-N 3.15Å; M14-F17 WeakPolarHBondContact O-CB 3.49Å; M14-F17 PolarHBondContact O-N 3.02Å; M14-F17 HydrophobicContact SD-CD1 4.35Å; M14-M18 VanDerWaalsContact O-CG 3.31Å; M14-M18 WeakPolarHBondContact O-CG 3.2Å; M14-M18 PolarHBondContact O-N 3.31Å; M14-M18 HydrophobicContact SD-CE 3.89Å; M14-L110 HydrophobicContact CE-CD2 3.69Å; M14-L110 HydrophobicContact SD-CD2 3.92Å; M14-L114 HydrophobicContact CE-CD1 4.31Å
15L97.8Very high90.8Very high96 Ų9673.5 Ų73.550%0.50340%0.395SS..Hα-helixtrans-64.1-38.1174.1178.661.5000111.8M11 S12 N13 M18 K19M11-L15 WeakPolarHBondContact O-CB 3.4Å; M11-L15 PolarHBondContact O-N 2.8Å; S12-L15 PolarHBondContact O-N 2.76Å; N13-L15 VanDerWaalsContact C-N 3.33Å; N13-L15 PolarHBondContact O-N 3.16Å; L15-M18 PolarHBondContact O-N 3.07Å; L15-K19 HydrophobicContact CG-CD 4.44Å; L15-K19 WeakPolarHBondContact O-CB 3.48Å; L15-K19 VanDerWaalsContact O-CG 3.3Å; L15-K19 WeakPolarHBondContact O-CG 3.44Å; L15-K19 PolarHBondContact O-N 3.17Å
16Q98.1Very high92.3Very high80 Ų8077.1 Ų77.137%0.37440%0.396SS..Hα-helixtrans-67.4-39.1175.9-175.855.438.600112.1S12 N13 M14 K19 L20 L109S12-Q16 PolarHBondContact O-N 2.93Å; N13-Q16 WeakPolarHBondContact O-CB 3.36Å; N13-Q16 PolarHBondContact O-N 3.25Å; N13-Q16 VanDerWaalsContact O-N 3.1Å; M14-Q16 VanDerWaalsContact C-N 3.33Å; M14-Q16 PolarHBondContact O-N 3.15Å; Q16-K19 PolarHBondContact O-N 3.38Å; Q16-L20 WeakPolarHBondContact O-CG 3.48Å; Q16-L20 PolarHBondContact O-N 3.06Å; Q16-L20 VanDerWaalsContact O-N 3.07Å; Q16-L109 HydrophobicContact CB-CD1 4.33Å; Q16-L109 HydrophobicContact CG-CD1 3.98Å; Q16-L109 HydrophobicContact CG-CD2 4.42Å
17F98.4Very high93.7Very high12 Ų1271.8 Ų71.85%0.05337%0.372CS..Hα-helixtrans-58.5-53.4171.4173.3-93.3000110.5N13 M14 K19 L20 I21 M76 L106 L109 L110 I118N13-F17 PolarHBondContact O-N 3.33Å; M14-F17 WeakPolarHBondContact O-CB 3.49Å; M14-F17 PolarHBondContact O-N 3.02Å; M14-F17 HydrophobicContact SD-CD1 4.35Å; F17-K19 VanDerWaalsContact C-N 3.26Å; F17-K19 PolarHBondContact O-N 3.01Å; F17-L20 WeakPolarHBondContact O-CA 3.36Å; F17-L20 WeakPolarHBondContact O-CB 3.43Å; F17-L20 PolarHBondContact O-N 3.14Å; F17-I21 HydrophobicContact CD1-CG1 4.08Å; F17-I21 HydrophobicContact CE1-CD1 4.28Å; F17-I21 HydrophobicContact CE1-CG1 3.73Å; F17-I21 HydrophobicContact CE2-CD1 4.06Å; F17-I21 HydrophobicContact CE2-CG1 4.36Å; F17-I21 HydrophobicContact CZ-CD1 3.93Å; F17-I21 HydrophobicContact CZ-CG1 3.9Å; F17-I21 WeakPolarHBondContact O-CG1 3.48Å; F17-I21 PolarHBondContact O-N 3.05Å; F17-M76 HydrophobicContact CE2-CE 4.2Å; F17-M76 HydrophobicContact CZ-CE 3.61Å; F17-L106 HydrophobicContact CD2-CD1 3.71Å; F17-L106 HydrophobicContact CD2-CG 3.92Å; F17-L106 HydrophobicContact CE2-CD1 3.99Å; F17-L106 HydrophobicContact CE2-CD2 4.39Å; F17-L106 HydrophobicContact CE2-CG 3.79Å; F17-L109 HydrophobicContact CB-CB 4.02Å; F17-L109 HydrophobicContact CB-CD1 4.2Å; F17-L110 HydrophobicContact CB-CD2 4.22Å; F17-L110 HydrophobicContact CD1-CD2 3.83Å; F17-L110 HydrophobicContact CD2-CD1 4.07Å; F17-L110 HydrophobicContact CD2-CD2 3.79Å; F17-L110 HydrophobicContact CD2-CG 3.86Å; F17-L110 HydrophobicContact CE1-CD2 4.07Å; F17-L110 HydrophobicContact CE2-CD1 3.64Å; F17-L110 HydrophobicContact CE2-CD2 4.02Å; F17-L110 HydrophobicContact CE2-CG 3.97Å; F17-L110 HydrophobicContact CG-CD2 3.68Å; F17-L110 HydrophobicContact CG-CG 4.26Å; F17-L110 HydrophobicContact CZ-CD1 3.96Å; F17-L110 HydrophobicContact CZ-CD2 4.15Å; F17-L110 HydrophobicContact CZ-CG 4.45Å; F17-I118 HydrophobicContact CZ-CD1 3.95Å
18M98.4Very high94.9Very high106 Ų10667.4 Ų67.452%0.52236%0.359SS..Hα-helixtrans-60.1-33.4179.3-66.6-65.317400113M14 L15 G22M14-M18 VanDerWaalsContact O-CG 3.31Å; M14-M18 WeakPolarHBondContact O-CG 3.2Å; M14-M18 PolarHBondContact O-N 3.31Å; M14-M18 HydrophobicContact SD-CE 3.89Å; L15-M18 PolarHBondContact O-N 3.07Å; M18-G22 PolarHBondContact O-N 3.4Å
19K98.4Very high96.1Very high111 Ų11164.6 Ų64.648%0.48334%0.336SS..Hα-helixtrans-68.5-30.8172.5-77.9174177.6179.10113.7L15 Q16 F17 Q23L15-K19 HydrophobicContact CG-CD 4.44Å; L15-K19 WeakPolarHBondContact O-CB 3.48Å; L15-K19 VanDerWaalsContact O-CG 3.3Å; L15-K19 WeakPolarHBondContact O-CG 3.44Å; L15-K19 PolarHBondContact O-N 3.17Å; Q16-K19 PolarHBondContact O-N 3.38Å; F17-K19 VanDerWaalsContact C-N 3.26Å; F17-K19 PolarHBondContact O-N 3.01Å; K19-Q23 PolarHBondContact O-NE2 2.97Å
20L98.6Very high97.2Very high19 Ų1963.1 Ų63.110%0.09932%0.322CS..Hα-helixtrans-72.7-48.3172.4-72.2169.4000110.1Q16 F17 G22 Q23 C79 I80 L106 L109Q16-L20 WeakPolarHBondContact O-CG 3.48Å; Q16-L20 PolarHBondContact O-N 3.06Å; Q16-L20 VanDerWaalsContact O-N 3.07Å; F17-L20 WeakPolarHBondContact O-CA 3.36Å; F17-L20 WeakPolarHBondContact O-CB 3.43Å; F17-L20 PolarHBondContact O-N 3.14Å; L20-G22 PolarHBondContact O-N 2.75Å; L20-Q23 VanDerWaalsContact O-CB 3.27Å; L20-Q23 WeakPolarHBondContact O-CB 3.33Å; L20-Q23 WeakPolarHBondContact O-CG 3.29Å; L20-Q23 PolarHBondContact O-N 2.68Å; L20-C79 VanDerWaalsContact O-CB 3.27Å; L20-C79 WeakPolarHBondContact O-CB 3.45Å; L20-I80 HydrophobicContact CD2-CG1 4.26Å; L20-L106 HydrophobicContact CB-CD1 3.62Å; L20-L106 HydrophobicContact CD1-CD1 3.71Å; L20-L106 HydrophobicContact CG-CD1 4.32Å; L20-L109 HydrophobicContact CD1-CD1 3.67Å
21I98.6Very high97.7Very high43 Ų4363 Ų6322%0.22132%0.32CS..Hα-helixtrans-57.1-38174.8-52.1-43.2000111.2F17 Q23 L24 M76 L106F17-I21 HydrophobicContact CD1-CG1 4.08Å; F17-I21 HydrophobicContact CE1-CD1 4.28Å; F17-I21 HydrophobicContact CE1-CG1 3.73Å; F17-I21 HydrophobicContact CE2-CD1 4.06Å; F17-I21 HydrophobicContact CE2-CG1 4.36Å; F17-I21 HydrophobicContact CZ-CD1 3.93Å; F17-I21 HydrophobicContact CZ-CG1 3.9Å; F17-I21 WeakPolarHBondContact O-CG1 3.48Å; F17-I21 PolarHBondContact O-N 3.05Å; I21-Q23 PolarHBondContact O-N 3.47Å; I21-Q23 VanDerWaalsContact O-N 3.12Å; I21-L24 HydrophobicContact CG2-CD1 4.15Å; I21-L24 WeakPolarHBondContact O-CB 3.37Å; I21-L24 WeakPolarHBondContact O-CG 3.46Å; I21-L24 PolarHBondContact O-N 3.39Å; I21-L24 VanDerWaalsContact O-N 3.09Å; I21-M76 HydrophobicContact CD1-CE 3.37Å; I21-M76 HydrophobicContact CG1-CE 4.05Å; I21-L106 HydrophobicContact CD1-CD1 3.92Å; I21-L106 HydrophobicContact CD1-CD2 3.8Å; I21-L106 HydrophobicContact CD1-CG 4.3Å
22G98.7Very high98Very high24 Ų2457.7 Ų57.725%0.24729%0.294CS..THydrogen-bonded Turntrans-66.2-2.4172.700000116.4M18 L20 R26M18-G22 PolarHBondContact O-N 3.4Å; L20-G22 PolarHBondContact O-N 2.75Å; G22-R26 PolarHBondContact O-NH2 3.1Å
23Q98.7Very high98.2Very high67 Ų6757 Ų5731%0.31329%0.286SS..THydrogen-bonded Turntrans-78.6-30.2167-53.6-56.6-43.100111.9K19 L20 I21 K25 R26 V27 C79K19-Q23 PolarHBondContact O-NE2 2.97Å; L20-Q23 VanDerWaalsContact O-CB 3.27Å; L20-Q23 WeakPolarHBondContact O-CB 3.33Å; L20-Q23 WeakPolarHBondContact O-CG 3.29Å; L20-Q23 PolarHBondContact O-N 2.68Å; I21-Q23 PolarHBondContact O-N 3.47Å; I21-Q23 VanDerWaalsContact O-N 3.12Å; Q23-K25 PolarHBondContact O-N 2.94Å; Q23-K25 VanDerWaalsContact O-N 3.13Å; Q23-R26 CarbonylContact O-C 3.38Å; Q23-R26 WeakPolarHBondContact O-CA 3.33Å; Q23-R26 PolarHBondContact O-N 3.17Å; Q23-R26 VanDerWaalsContact OE1-CZ 3.23Å; Q23-V27 PolarHBondContact O-N 3.21Å; Q23-C79 HydrophobicContact CB-CB 4.27Å
24L98.8Very high98.3Very high1 Ų158.7 Ų58.71%0.00529%0.287CS..G310 helixtrans-56.4-34.1-177.7-63.9167.9000112.3I21 R26 V27 S42 V43 M47 E78 C79I21-L24 HydrophobicContact CG2-CD1 4.15Å; I21-L24 WeakPolarHBondContact O-CB 3.37Å; I21-L24 WeakPolarHBondContact O-CG 3.46Å; I21-L24 PolarHBondContact O-N 3.39Å; I21-L24 VanDerWaalsContact O-N 3.09Å; L24-R26 PolarHBondContact O-N 2.84Å; L24-V27 PolarHBondContact O-N 3.35Å; L24-V27 VanDerWaalsContact O-N 3.07Å; L24-S42 WeakPolarHBondContact O-CB 3.44Å; L24-V43 HydrophobicContact CD2-CB 4.27Å; L24-V43 HydrophobicContact CD2-CG1 3.96Å; L24-M47 HydrophobicContact CD1-CE 3.67Å; L24-E78 HydrophobicContact CD2-CB 4.15Å; L24-C79 HydrophobicContact CD1-CB 4.43Å; L24-C79 HydrophobicContact CD2-CB 3.67Å; L24-C79 VanDerWaalsContact CD2-N 3.33Å; L24-C79 HydrophobicContact CG-CB 3.73Å
25K98.8Very high98.3Very high154 Ų15458 Ų5867%0.6729%0.285SS*.G310 helixtrans-59.7-9.1172.2-58.9-175177.1-165.80115.2Q23 S44Q23-K25 PolarHBondContact O-N 2.94Å; Q23-K25 VanDerWaalsContact O-N 3.13Å; K25-S44 VanDerWaalsContact CA-OG 3.28Å; K25-S44 WeakPolarHBondContact CA-OG 3.42Å; K25-S44 WeakPolarHBondContact CG-OG 3.49Å; K25-S44 PolarHBondContact N-OG 3.22Å
26R98.6Very high98.3Very high159 Ų15960 Ų6060%0.630%0.296SS*.G310 helixtrans-130.88-178.2-73.1175.3-75.1117.37.5112G22 Q23 L24 P28G22-R26 PolarHBondContact O-NH2 3.1Å; Q23-R26 CarbonylContact O-C 3.38Å; Q23-R26 WeakPolarHBondContact O-CA 3.33Å; Q23-R26 PolarHBondContact O-N 3.17Å; Q23-R26 VanDerWaalsContact OE1-CZ 3.23Å; L24-R26 PolarHBondContact O-N 2.84Å; R26-P28 WeakPolarHBondContact O-CD 3.39Å
27V98.6Very high98.3Very high22 Ų2256.6 Ų56.613%0.13328%0.281CS..  trans-95.5102163.6-176.60000105.8Q23 L24 S42 V43 D83Q23-V27 PolarHBondContact O-N 3.21Å; L24-V27 PolarHBondContact O-N 3.35Å; L24-V27 VanDerWaalsContact O-N 3.07Å; V27-S42 CarbonylContact O-C 3.56Å; V27-S42 VanDerWaalsContact O-CA 3.27Å; V27-S42 WeakPolarHBondContact O-CA 3.2Å; V27-V43 HydrophobicContact CB-CG2 3.92Å; V27-V43 HydrophobicContact CG1-CG2 3.64Å; V27-V43 PolarHBondContact O-N 2.99Å; V27-D83 HydrophobicContact CG1-CB 4.07Å
28P98.6Very high98.3Very high55 Ų5563.9 Ų63.936%0.35731%0.312SS..BIsolated β-bridgetrans-69.7145171.630.8-34000109.4R26 T30 V33 P40 E41R26-P28 WeakPolarHBondContact O-CD 3.39Å; P28-T30 PolarHBondContact O-N 3.43Å; P28-T30 VanDerWaalsContact O-N 3.16Å; P28-V33 HydrophobicContact CB-CG2 3.82Å; P28-V33 HydrophobicContact CG-CG2 3.86Å; P28-P40 HydrophobicContact CB-CG 3.91Å; P28-E41 WeakPolarHBondContact CA-O 3.25Å
29R98.6Very high98.2Very high24 Ų2466.2 Ų66.29%0.09133%0.327CS..  trans-64.1116175.1-76.4-81.8-82.6-163.7-11110.1G31 W32 V33 E41 V43 H46 D75 D83 D140R29-G31 VanDerWaalsContact C-N 3.3Å; R29-G31 PolarHBondContact O-N 2.74Å; R29-W32 HydrophobicContact CB-CG 4.41Å; R29-W32 PolarHBondContact O-N 2.86Å; R29-W32 VanDerWaalsContact O-N 3.13Å; R29-V33 PolarHBondContact O-N 3.35Å; R29-E41 HydrophobicContact CB-CG 4.23Å; R29-E41 HydrophobicContact CG-CG 4.1Å; R29-E41 PolarHBondContact N-O 3.27Å; R29-V43 HydrophobicContact CG-CG2 4.28Å; R29-H46 PolarHBondContact NH2-CE1 3.47Å; R29-H46 PolarHBondContact NH2-NE2 2.78Å; R29-H46 VanDerWaalsContact NH2-NE2 3.12Å; R29-D75 IonicContact NH1-OD2 2.76Å; R29-D75 PolarHBondContact NH1-OD2 3.03Å; R29-D75 VanDerWaalsContact NH1-OD2 3.11Å; R29-D83 WeakPolarHBondContact CA-OD2 3.38Å; R29-D83 WeakPolarHBondContact CD-OD2 3.35Å; R29-D140 IonicContact NH2-OD1 3.76Å; R29-D140 PolarHBondContact NH2-OD1 3.29Å
30T98.1Very high98.2Very high21 Ų2162.7 Ų62.713%0.12932%0.315CS..Hα-helixtrans-62.2-34.5-167.5-66.40000112.1P28 W32 V33 Y34 D83 A85P28-T30 PolarHBondContact O-N 3.43Å; P28-T30 VanDerWaalsContact O-N 3.16Å; T30-W32 VanDerWaalsContact C-N 3.3Å; T30-W32 PolarHBondContact O-N 2.87Å; T30-V33 WeakPolarHBondContact O-CB 3.35Å; T30-V33 PolarHBondContact O-N 3.1Å; T30-Y34 HydrophobicContact CG2-CD1 4.18Å; T30-Y34 HydrophobicContact CG2-CD2 3.86Å; T30-Y34 HydrophobicContact CG2-CE1 3.79Å; T30-Y34 HydrophobicContact CG2-CE2 3.44Å; T30-Y34 VanDerWaalsContact CG2-CE2 3.44Å; T30-Y34 HydrophobicContact CG2-CG 4.23Å; T30-Y34 VanDerWaalsContact CG2-CZ 3.42Å; T30-Y34 PolarHBondContact O-N 3.17Å; T30-D83 PolarHBondContact N-OD2 3.25Å; T30-D83 PolarHBondContact OG1-O 2.74Å; T30-A85 HydrophobicContact CG2-CB 3.58Å
31G97.5Very high98.2Very high21 Ų2162.5 Ų62.522%0.21631%0.314CS..Hα-helixtrans-55.9-41.417500000113.3R29 N35R29-G31 VanDerWaalsContact C-N 3.3Å; R29-G31 PolarHBondContact O-N 2.74Å; G31-N35 WeakPolarHBondContact O-CB 3.29Å; G31-N35 PolarHBondContact O-N 3.23Å; G31-N35 VanDerWaalsContact O-N 3.16Å; G31-N35 PolarHBondContact O-ND2 3.32Å; G31-N35 VanDerWaalsContact O-ND2 3.1Å
32W98.5Very high98.2Very high4 Ų461 Ų612%0.01531%0.307CS..Hα-helixtrans-73.6-37.4177.2-50.4139.2000112.3R29 T30 N35 N36 V37 P40 E41 M144 Q147 A148 Y151 L161 F164R29-W32 HydrophobicContact CB-CG 4.41Å; R29-W32 PolarHBondContact O-N 2.86Å; R29-W32 VanDerWaalsContact O-N 3.13Å; T30-W32 VanDerWaalsContact C-N 3.3Å; T30-W32 PolarHBondContact O-N 2.87Å; W32-N35 CarbonylContact O-C 3.59Å; W32-N35 PolarHBondContact O-N 2.76Å; W32-N36 PolarHBondContact O-N 3.13Å; W32-V37 HydrophobicContact CB-CB 3.95Å; W32-V37 HydrophobicContact CB-CG1 4.44Å; W32-V37 HydrophobicContact CB-CG2 3.93Å; W32-V37 HydrophobicContact CE3-CG2 4.4Å; W32-V37 WeakPolarHBondContact O-CB 3.12Å; W32-V37 PolarHBondContact O-N 3.29Å; W32-P40 HydrophobicContact CB-CB 3.56Å; W32-P40 HydrophobicContact CG-CB 4.35Å; W32-E41 PolarHBondContact NE1-OE1 2.76Å; W32-M144 HydrophobicContact CH2-CG 3.9Å; W32-M144 VanDerWaalsContact CH2-O 3.25Å; W32-M144 WeakPolarHBondContact CH2-O 3.32Å; W32-M144 HydrophobicContact CZ2-CG 3.94Å; W32-Q147 HydrophobicContact CH2-CB 4.48Å; W32-Q147 HydrophobicContact CZ2-CB 3.83Å; W32-Q147 HydrophobicContact CZ2-CG 3.85Å; W32-A148 HydrophobicContact CH2-CB 3.82Å; W32-A148 HydrophobicContact CZ3-CB 3.99Å; W32-Y151 HydrophobicContact CB-CE2 4.4Å; W32-Y151 AromaticContact CD1-CE2 3.78Å; W32-Y151 HydrophobicContact CD2-CD2 4.08Å; W32-Y151 AromaticContact CD2-CE2 3.8Å; W32-Y151 HydrophobicContact CD2-CE2 3.8Å; W32-Y151 AromaticContact CE2-CE2 3.96Å; W32-Y151 HydrophobicContact CE3-CD2 4.18Å; W32-Y151 HydrophobicContact CE3-CE2 4.37Å; W32-Y151 HydrophobicContact CG-CD2 4.41Å; W32-Y151 AromaticContact CG-CE2 3.77Å; W32-Y151 HydrophobicContact CG-CE2 3.77Å; W32-Y151 AromaticContact NE1-CE2 3.91Å; W32-L161 HydrophobicContact CE3-CD1 4.4Å; W32-L161 HydrophobicContact CZ3-CD1 4.18Å; W32-F164 HydrophobicContact CE3-CD1 4.46Å; W32-F164 AromaticContact CE3-CE1 3.85Å; W32-F164 HydrophobicContact CE3-CE1 3.85Å; W32-F164 HydrophobicContact CE3-CE2 4.06Å; W32-F164 AromaticContact CE3-CZ 3.63Å; W32-F164 HydrophobicContact CE3-CZ 3.63Å; W32-F164 AromaticContact CH2-CD1 3.58Å; W32-F164 HydrophobicContact CH2-CD1 3.58Å; W32-F164 HydrophobicContact CH2-CD2 4.47Å; W32-F164 AromaticContact CH2-CE1 3.71Å; W32-F164 HydrophobicContact CH2-CE1 3.71Å; W32-F164 AromaticContact CH2-CG 3.99Å; W32-F164 HydrophobicContact CH2-CG 3.99Å; W32-F164 HydrophobicContact CH2-CZ 4.24Å; W32-F164 AromaticContact CZ3-CD1 3.53Å; W32-F164 HydrophobicContact CZ3-CD1 3.53Å; W32-F164 AromaticContact CZ3-CD2 3.77Å; W32-F164 HydrophobicContact CZ3-CD2 3.77Å; W32-F164 AromaticContact CZ3-CE1 3.35Å; W32-F164 HydrophobicContact CZ3-CE1 3.35Å; W32-F164 AromaticContact CZ3-CE2 3.61Å; W32-F164 HydrophobicContact CZ3-CE2 3.61Å; W32-F164 AromaticContact CZ3-CG 3.73Å; W32-F164 HydrophobicContact CZ3-CG 3.73Å; W32-F164 AromaticContact CZ3-CZ 3.4Å; W32-F164 HydrophobicContact CZ3-CZ 3.4Å
33V98.1Very high98.2Very high59 Ų5959.8 Ų59.836%0.35830%0.295SS..Hα-helixtrans-59.8-47.2175.2177.60000110.7P28 R29 T30 N35 N36 P40P28-V33 HydrophobicContact CB-CG2 3.82Å; P28-V33 HydrophobicContact CG-CG2 3.86Å; R29-V33 PolarHBondContact O-N 3.35Å; T30-V33 WeakPolarHBondContact O-CB 3.35Å; T30-V33 PolarHBondContact O-N 3.1Å; V33-N35 VanDerWaalsContact C-N 3.29Å; V33-N35 PolarHBondContact O-N 2.98Å; V33-N36 PolarHBondContact O-N 3.2Å; V33-P40 HydrophobicContact CG2-CG 3.9Å
34Y97.8Very high98.2Very high110 Ų11057.9 Ų57.943%0.43129%0.289SS..Hα-helixtrans-67.4-30.4178-68.7-8.5000112.7T30 N36 A85 D88T30-Y34 HydrophobicContact CG2-CD1 4.18Å; T30-Y34 HydrophobicContact CG2-CD2 3.86Å; T30-Y34 HydrophobicContact CG2-CE1 3.79Å; T30-Y34 HydrophobicContact CG2-CE2 3.44Å; T30-Y34 VanDerWaalsContact CG2-CE2 3.44Å; T30-Y34 HydrophobicContact CG2-CG 4.23Å; T30-Y34 VanDerWaalsContact CG2-CZ 3.42Å; T30-Y34 PolarHBondContact O-N 3.17Å; Y34-N36 PolarHBondContact O-N 3.46Å; Y34-A85 HydrophobicContact CD2-CB 4.4Å; Y34-A85 HydrophobicContact CE2-CB 4.13Å; Y34-D88 PolarHBondContact OH-OD1 3.36Å
35N97.7Very high98.2Very high29 Ų2961.8 Ų61.816%0.15531%0.31CS..THydrogen-bonded Turntrans-8313.6170.9-86.2-85.8000114.3G31 W32 V33 V37 R160 L161 E163 F164G31-N35 WeakPolarHBondContact O-CB 3.29Å; G31-N35 PolarHBondContact O-N 3.23Å; G31-N35 VanDerWaalsContact O-N 3.16Å; G31-N35 PolarHBondContact O-ND2 3.32Å; G31-N35 VanDerWaalsContact O-ND2 3.1Å; W32-N35 CarbonylContact O-C 3.59Å; W32-N35 PolarHBondContact O-N 2.76Å; V33-N35 VanDerWaalsContact C-N 3.29Å; V33-N35 PolarHBondContact O-N 2.98Å; N35-V37 HydrophobicContact CB-CG2 4.36Å; N35-V37 PolarHBondContact O-N 3.17Å; N35-R160 PolarHBondContact O-NH1 3.03Å; N35-R160 PolarHBondContact O-NH2 2.77Å; N35-R160 VanDerWaalsContact O-NH2 3.14Å; N35-L161 HydrophobicContact CB-CD2 3.77Å; N35-E163 PolarHBondContact ND2-OE1 3.33Å; N35-E163 PolarHBondContact OD1-OE1 3.2Å; N35-F164 HydrophobicContact CB-CE2 4.49Å; N35-F164 WeakPolarHBondContact ND2-CE2 3.29Å; N35-F164 WeakPolarHBondContact ND2-CZ 3.44Å
36N98Very high98.2Very high138 Ų13854.4 Ų54.474%0.73828%0.278SS*.THydrogen-bonded Turntrans52.726.3177.4-50.1128.7000115W32 V33 Y34W32-N36 PolarHBondContact O-N 3.13Å; V33-N36 PolarHBondContact O-N 3.2Å; Y34-N36 PolarHBondContact O-N 3.46Å
37V98.2Very high98.3Very high9 Ų947.4 Ų47.46%0.05525%0.252CS..  trans-59.7136.2174.1174.40000109.3W32 N35 Y151 L161W32-V37 HydrophobicContact CB-CB 3.95Å; W32-V37 HydrophobicContact CB-CG1 4.44Å; W32-V37 HydrophobicContact CB-CG2 3.93Å; W32-V37 HydrophobicContact CE3-CG2 4.4Å; W32-V37 WeakPolarHBondContact O-CB 3.12Å; W32-V37 PolarHBondContact O-N 3.29Å; N35-V37 HydrophobicContact CB-CG2 4.36Å; N35-V37 PolarHBondContact O-N 3.17Å; V37-Y151 HydrophobicContact CG1-CD1 3.51Å; V37-Y151 HydrophobicContact CG1-CD2 3.74Å; V37-Y151 HydrophobicContact CG1-CE1 3.59Å; V37-Y151 HydrophobicContact CG1-CE2 3.78Å; V37-Y151 HydrophobicContact CG1-CG 3.62Å; V37-Y151 HydrophobicContact CG2-CD2 4.18Å; V37-Y151 HydrophobicContact CG2-CG 4.41Å; V37-L161 HydrophobicContact CG2-CD1 4.36Å
38K96.6Very high98.3Very high165 Ų16553.6 Ų53.672%0.71727%0.274SS*.SBendtrans-79128.4177.4-65.8177.3-173.81680111.1E155K38-E155 PolarHBondContact N-OE1 2.69Å; K38-E155 VanDerWaalsContact N-OE1 3.17Å
39N97.1Very high98.3Very high156 Ų15653.3 Ų53.383%0.83427%0.266SS*.SBendtrans51.360.9-178.9-53.6-41.9000112.3
40P98.4Very high98.3Very high37 Ų3752.2 Ų52.224%0.2426%0.262CS..PPolyproline II helixtrans-62150.7-179.829.5-35.9000111P28 W32 V33 Y151P28-P40 HydrophobicContact CB-CG 3.91Å; W32-P40 HydrophobicContact CB-CB 3.56Å; W32-P40 HydrophobicContact CG-CB 4.35Å; V33-P40 HydrophobicContact CG2-CG 3.9Å; P40-Y151 WeakPolarHBondContact CA-OH 3.18Å
41E98.8Very high98.3Very high14 Ų1451.7 Ų51.77%0.06526%0.26CS..PPolyproline II helixtrans-58.5157.2176.562.3167.9171.200112.2P28 R29 W32 D45 H46 Y151P28-E41 WeakPolarHBondContact CA-O 3.25Å; R29-E41 HydrophobicContact CB-CG 4.23Å; R29-E41 HydrophobicContact CG-CG 4.1Å; R29-E41 PolarHBondContact N-O 3.27Å; W32-E41 PolarHBondContact NE1-OE1 2.76Å; E41-D45 HydrophobicContact CB-CB 4.16Å; E41-H46 PolarHBondContact OE2-N 3.27Å; E41-Y151 PolarHBondContact N-OH 3.16Å
42S98.9Very high98.4Very high11 Ų1154.3 Ų54.38%0.07727%0.267CS..BIsolated β-bridgetrans-86.7157.2168.9770000111.5L24 V27 S44 D45 H46L24-S42 WeakPolarHBondContact O-CB 3.44Å; V27-S42 CarbonylContact O-C 3.56Å; V27-S42 VanDerWaalsContact O-CA 3.27Å; V27-S42 WeakPolarHBondContact O-CA 3.2Å; S42-S44 PolarHBondContact O-N 2.77Å; S42-S44 VanDerWaalsContact O-N 3.09Å; S42-S44 PolarHBondContact OG-N 3.44Å; S42-S44 PolarHBondContact OG-OG 3.06Å; S42-D45 WeakPolarHBondContact CA-OD2 3.39Å; S42-D45 VanDerWaalsContact CB-OD2 3.24Å; S42-D45 WeakPolarHBondContact CB-OD2 3.37Å; S42-D45 PolarHBondContact N-OD2 2.99Å; S42-D45 WeakPolarHBondContact O-CB 3.37Å; S42-D45 PolarHBondContact O-N 3.24Å; S42-D45 VanDerWaalsContact OG-CG 3.22Å; S42-D45 PolarHBondContact OG-N 3.17Å; S42-D45 PolarHBondContact OG-OD2 3.46Å; S42-H46 PolarHBondContact O-N 2.97Å
43V98.8Very high98.4Very high0 Ų055.2 Ų55.20%027%0.272CS..Hα-helixtrans-53.7-31.5172.7176.40000111.8L24 V27 R29 M47 D75 E78 D83L24-V43 HydrophobicContact CD2-CB 4.27Å; L24-V43 HydrophobicContact CD2-CG1 3.96Å; V27-V43 HydrophobicContact CB-CG2 3.92Å; V27-V43 HydrophobicContact CG1-CG2 3.64Å; V27-V43 PolarHBondContact O-N 2.99Å; R29-V43 HydrophobicContact CG-CG2 4.28Å; V43-M47 WeakPolarHBondContact O-CG 3.46Å; V43-M47 PolarHBondContact O-N 3.42Å; V43-M47 VanDerWaalsContact O-N 3.1Å; V43-D75 HydrophobicContact CG1-CB 3.63Å; V43-E78 WeakPolarHBondContact CG1-OE2 3.35Å; V43-E78 WeakPolarHBondContact CG2-OE2 3.38Å; V43-D83 HydrophobicContact CG2-CB 4.25Å
44S98.7Very high98.4Very high27 Ų2752.4 Ų52.419%0.18926%0.255CS..Hα-helixtrans-74.7-21.1175.547.90000115.3K25 S42 Y48K25-S44 VanDerWaalsContact CA-OG 3.28Å; K25-S44 WeakPolarHBondContact CA-OG 3.42Å; K25-S44 WeakPolarHBondContact CG-OG 3.49Å; K25-S44 PolarHBondContact N-OG 3.22Å; S42-S44 PolarHBondContact O-N 2.77Å; S42-S44 VanDerWaalsContact O-N 3.09Å; S42-S44 PolarHBondContact OG-N 3.44Å; S42-S44 PolarHBondContact OG-OG 3.06Å; S44-Y48 WeakPolarHBondContact O-CB 3.5Å; S44-Y48 PolarHBondContact O-N 3.4Å; S44-Y48 VanDerWaalsContact O-N 3.17Å
45D98.9Very high98.4Very high82 Ų8250.8 Ų50.844%0.43925%0.254SS..Hα-helixtrans-76.8-46.7174.6-57.8-55.1000109.8E41 S42 M47 Y48 R49E41-D45 HydrophobicContact CB-CB 4.16Å; S42-D45 WeakPolarHBondContact CA-OD2 3.39Å; S42-D45 VanDerWaalsContact CB-OD2 3.24Å; S42-D45 WeakPolarHBondContact CB-OD2 3.37Å; S42-D45 PolarHBondContact N-OD2 2.99Å; S42-D45 WeakPolarHBondContact O-CB 3.37Å; S42-D45 PolarHBondContact O-N 3.24Å; S42-D45 VanDerWaalsContact OG-CG 3.22Å; S42-D45 PolarHBondContact OG-N 3.17Å; S42-D45 PolarHBondContact OG-OD2 3.46Å; D45-M47 PolarHBondContact O-N 3.44Å; D45-Y48 WeakPolarHBondContact O-CB 3.34Å; D45-Y48 PolarHBondContact O-N 3.35Å; D45-Y48 VanDerWaalsContact O-N 3.09Å; D45-R49 PolarHBondContact O-N 3.07Å
46H98.9Very high98.3Very high0 Ų054.1 Ų54.10%028%0.275CS..Hα-helixtrans-49.4-57.5169.7170.466.2000112R29 E41 S42 Y48 R49 M50 H74 D75 D140 E143R29-H46 PolarHBondContact NH2-CE1 3.47Å; R29-H46 PolarHBondContact NH2-NE2 2.78Å; R29-H46 VanDerWaalsContact NH2-NE2 3.12Å; E41-H46 PolarHBondContact OE2-N 3.27Å; S42-H46 PolarHBondContact O-N 2.97Å; H46-Y48 VanDerWaalsContact C-N 3.27Å; H46-Y48 PolarHBondContact O-N 3.22Å; H46-R49 PolarHBondContact O-N 3.06Å; H46-M50 PolarHBondContact CE1-SD 3.43Å; H46-M50 PolarHBondContact NE2-SD 2.84Å; H46-M50 PolarHBondContact O-N 3.18Å; H46-H74 AromaticContact NE2-NE2 3.83Å; H46-D75 IonicContact CD2-OD2 2.66Å; H46-D75 IonicContact NE2-OD2 2.89Å; H46-D140 IonicContact CE1-OD1 3.67Å; H46-D140 PolarHBondContact CE1-OD1 3.09Å; H46-D140 IonicContact NE2-OD1 2.72Å; H46-D140 PolarHBondContact NE2-OD1 3.36Å; H46-E143 IonicContact CE1-OE2 3.86Å; H46-E143 PolarHBondContact CE1-OE2 3.18Å; H46-E143 IonicContact CG-OE2 3.11Å; H46-E143 IonicContact ND1-OE2 2.64Å; H46-E143 PolarHBondContact ND1-OE2 3.33Å
47M98.8Very high98.1Very high11 Ų1148.3 Ų48.35%0.05424%0.244CC..Hα-helixtrans-61.5-32.3177.8-71.5-161-5800113.3L24 V43 D45 A51 A71 D75L24-M47 HydrophobicContact CD1-CE 3.67Å; V43-M47 WeakPolarHBondContact O-CG 3.46Å; V43-M47 PolarHBondContact O-N 3.42Å; V43-M47 VanDerWaalsContact O-N 3.1Å; D45-M47 PolarHBondContact O-N 3.44Å; M47-A51 WeakPolarHBondContact O-CB 3.38Å; M47-A51 PolarHBondContact O-N 2.99Å; M47-A71 WeakPolarHBondContact CG-O 3.42Å; M47-D75 HydrophobicContact CG-CB 4.35Å; M47-D75 HydrophobicContact SD-CB 3.96Å
48Y98.9Very high97.9Very high152 Ų15253.5 Ų53.560%0.59628%0.276SS*.Hα-helixtrans-66-46.6175.5166.8-100.5000111.4S44 D45 H46 A51 M52S44-Y48 WeakPolarHBondContact O-CB 3.5Å; S44-Y48 PolarHBondContact O-N 3.4Å; S44-Y48 VanDerWaalsContact O-N 3.17Å; D45-Y48 WeakPolarHBondContact O-CB 3.34Å; D45-Y48 PolarHBondContact O-N 3.35Å; D45-Y48 VanDerWaalsContact O-N 3.09Å; H46-Y48 VanDerWaalsContact C-N 3.27Å; H46-Y48 PolarHBondContact O-N 3.22Å; Y48-A51 PolarHBondContact O-N 2.98Å; Y48-M52 HydrophobicContact CD2-CG 4.49Å; Y48-M52 HydrophobicContact CE1-CG 4.15Å; Y48-M52 HydrophobicContact CE2-CG 3.96Å; Y48-M52 HydrophobicContact CE2-SD 4.26Å; Y48-M52 WeakPolarHBondContact O-CG 3.35Å; Y48-M52 PolarHBondContact O-N 2.9Å
49R98.9Very high97.8Very high50 Ų5047.6 Ų47.619%0.18925%0.252CS..Hα-helixtrans-67-37.9177.8-175160.654-164.3-15.6111.7D45 H46 A51 M52 M53 E143 E150D45-R49 PolarHBondContact O-N 3.07Å; H46-R49 PolarHBondContact O-N 3.06Å; R49-A51 VanDerWaalsContact C-N 3.34Å; R49-A51 PolarHBondContact O-N 3.12Å; R49-M52 WeakPolarHBondContact O-CB 3.1Å; R49-M52 PolarHBondContact O-N 3.32Å; R49-M52 VanDerWaalsContact O-N 3.15Å; R49-M53 HydrophobicContact CG-CG 4.5Å; R49-M53 HydrophobicContact CG-SD 4.2Å; R49-M53 VanDerWaalsContact O-CG 3.29Å; R49-M53 WeakPolarHBondContact O-CG 3.37Å; R49-M53 PolarHBondContact O-N 3.43Å; R49-E143 HydrophobicContact CB-CG 4Å; R49-E143 HydrophobicContact CG-CG 3.95Å; R49-E143 IonicContact CZ-OE1 3.12Å; R49-E143 IonicContact NE-OE1 3.43Å; R49-E143 PolarHBondContact NE-OE1 3.36Å; R49-E143 IonicContact NH2-OE1 2.75Å; R49-E143 PolarHBondContact NH2-OE1 3.31Å; R49-E150 IonicContact CZ-OE2 3.27Å; R49-E150 IonicContact NH1-OE1 2.81Å; R49-E150 PolarHBondContact NH1-OE1 2.84Å; R49-E150 IonicContact NH1-OE2 3.81Å; R49-E150 PolarHBondContact NH1-OE2 3.21Å; R49-E150 IonicContact NH2-OE2 3.81Å
50M98.8Very high97.7Very high0 Ų046 Ų460%025%0.25CS..Hα-helixtrans-60.5-39.5171.2-72.7-178.958.800113.6H46 M52 M53 S54 A71 H74 V136 F139 D140 E143H46-M50 PolarHBondContact CE1-SD 3.43Å; H46-M50 PolarHBondContact NE2-SD 2.84Å; H46-M50 PolarHBondContact O-N 3.18Å; M50-M52 VanDerWaalsContact C-N 3.32Å; M50-M53 PolarHBondContact O-N 2.75Å; M50-S54 WeakPolarHBondContact O-CB 3.25Å; M50-S54 PolarHBondContact O-N 3.35Å; M50-S54 PolarHBondContact O-OG 3.15Å; M50-A71 HydrophobicContact CB-CB 3.94Å; M50-A71 HydrophobicContact CE-CB 4.35Å; M50-H74 WeakPolarHBondContact CE-CE1 3.24Å; M50-H74 PolarHBondContact SD-CE1 3.39Å; M50-V136 HydrophobicContact CE-CG1 3.52Å; M50-V136 WeakPolarHBondContact CE-O 3.48Å; M50-F139 HydrophobicContact CE-CB 4.45Å; M50-D140 HydrophobicContact CE-CB 3.71Å; M50-D140 VanDerWaalsContact SD-CA 3.57Å; M50-D140 HydrophobicContact SD-CB 3.82Å; M50-E143 HydrophobicContact CG-CB 4.03Å; M50-E143 HydrophobicContact CG-CG 4Å
51A98.8Very high97.6Very high11 Ų1149.4 Ų49.49%0.09127%0.27CS..Hα-helixtrans-65.8-36.7174.800000111.5M47 Y48 R49 S54 L55 I68 A71 L72M47-A51 WeakPolarHBondContact O-CB 3.38Å; M47-A51 PolarHBondContact O-N 2.99Å; Y48-A51 PolarHBondContact O-N 2.98Å; R49-A51 VanDerWaalsContact C-N 3.34Å; R49-A51 PolarHBondContact O-N 3.12Å; A51-S54 PolarHBondContact O-N 2.99Å; A51-L55 WeakPolarHBondContact O-CB 3.48Å; A51-L55 PolarHBondContact O-N 3.02Å; A51-I68 HydrophobicContact CB-CG2 4.44Å; A51-A71 HydrophobicContact CB-CB 4.33Å; A51-L72 HydrophobicContact CB-CD2 3.85Å; A51-L72 HydrophobicContact CB-CG 3.99Å
52M98.7Very high97.5Very high76 Ų7649.7 Ų49.737%0.37427%0.273SS..Hα-helixtrans-67-42.8172.4-70.3-58.5-56.700112.6Y48 R49 M50 S54 L55 T56Y48-M52 HydrophobicContact CD2-CG 4.49Å; Y48-M52 HydrophobicContact CE1-CG 4.15Å; Y48-M52 HydrophobicContact CE2-CG 3.96Å; Y48-M52 HydrophobicContact CE2-SD 4.26Å; Y48-M52 WeakPolarHBondContact O-CG 3.35Å; Y48-M52 PolarHBondContact O-N 2.9Å; R49-M52 WeakPolarHBondContact O-CB 3.1Å; R49-M52 PolarHBondContact O-N 3.32Å; R49-M52 VanDerWaalsContact O-N 3.15Å; M50-M52 VanDerWaalsContact C-N 3.32Å; M52-S54 VanDerWaalsContact C-N 3.3Å; M52-S54 PolarHBondContact O-N 3.47Å; M52-L55 HydrophobicContact CE-CD2 4.12Å; M52-L55 WeakPolarHBondContact O-CB 3.46Å; M52-L55 PolarHBondContact O-N 3.37Å; M52-L55 VanDerWaalsContact O-N 3.16Å; M52-L55 HydrophobicContact SD-CD2 4.12Å; M52-T56 PolarHBondContact O-N 3Å; M52-T56 PolarHBondContact O-OG1 2.89Å
53M98.4Very high97.4Very high22 Ų2253.2 Ų53.211%0.10829%0.291CS..Hα-helixtrans-58.5-44.8173.9-67.9160.974.200110.9R49 M50 T56 I57 F139 L142 E143 M146R49-M53 HydrophobicContact CG-CG 4.5Å; R49-M53 HydrophobicContact CG-SD 4.2Å; R49-M53 VanDerWaalsContact O-CG 3.29Å; R49-M53 WeakPolarHBondContact O-CG 3.37Å; R49-M53 PolarHBondContact O-N 3.43Å; M50-M53 PolarHBondContact O-N 2.75Å; M53-T56 WeakPolarHBondContact CA-OG1 3.22Å; M53-T56 PolarHBondContact O-N 3.4Å; M53-T56 PolarHBondContact O-OG1 3.15Å; M53-I57 PolarHBondContact O-N 3.04Å; M53-F139 HydrophobicContact CB-CD1 4.28Å; M53-F139 HydrophobicContact CB-CD2 4.39Å; M53-F139 HydrophobicContact CB-CE1 4.43Å; M53-F139 HydrophobicContact CB-CG 4.24Å; M53-F139 HydrophobicContact CE-CB 4.01Å; M53-F139 HydrophobicContact CE-CD1 3.76Å; M53-F139 HydrophobicContact CE-CG 4.16Å; M53-L142 HydrophobicContact CE-CB 3.97Å; M53-L142 HydrophobicContact CE-CD2 3.58Å; M53-L142 HydrophobicContact CE-CG 3.67Å; M53-E143 HydrophobicContact CE-CB 4.2Å; M53-E143 HydrophobicContact SD-CB 3.77Å; M53-E143 HydrophobicContact SD-CG 3.81Å; M53-M146 HydrophobicContact CE-SD 4.47Å
54S98.2Very high97.4Very high0 Ų058.6 Ų58.60%031%0.311CS..Hα-helixtrans-59.7-45.7173.7-56.80000111.7M50 A51 M52 T56 I57 R64M50-S54 WeakPolarHBondContact O-CB 3.25Å; M50-S54 PolarHBondContact O-N 3.35Å; M50-S54 PolarHBondContact O-OG 3.15Å; A51-S54 PolarHBondContact O-N 2.99Å; M52-S54 VanDerWaalsContact C-N 3.3Å; M52-S54 PolarHBondContact O-N 3.47Å; S54-T56 PolarHBondContact O-N 2.96Å; S54-I57 WeakPolarHBondContact O-CG2 3.18Å; S54-I57 PolarHBondContact O-N 2.96Å; S54-R64 WeakPolarHBondContact O-CG 3.48Å
55L97.9Very high97.3Very high77 Ų7761.9 Ų61.940%0.40333%0.327SS..Hα-helixtrans-60.7-28.5176.8-178.764.2000113.5A51 M52 R64 I68A51-L55 WeakPolarHBondContact O-CB 3.48Å; A51-L55 PolarHBondContact O-N 3.02Å; M52-L55 HydrophobicContact CE-CD2 4.12Å; M52-L55 WeakPolarHBondContact O-CB 3.46Å; M52-L55 PolarHBondContact O-N 3.37Å; M52-L55 VanDerWaalsContact O-N 3.16Å; M52-L55 HydrophobicContact SD-CD2 4.12Å; L55-R64 WeakPolarHBondContact O-CD 3.4Å; L55-I68 HydrophobicContact CB-CD1 4Å; L55-I68 HydrophobicContact CB-CG1 4.38Å; L55-I68 HydrophobicContact CD1-CD1 3.81Å
56T96.5Very high97.3Very high99 Ų9960.8 Ų60.861%0.60732%0.316SS*.THydrogen-bonded Turntrans-89.4-4.9179.953.20000115.4M52 M53 S54M52-T56 PolarHBondContact O-N 3Å; M52-T56 PolarHBondContact O-OG1 2.89Å; M53-T56 WeakPolarHBondContact CA-OG1 3.22Å; M53-T56 PolarHBondContact O-N 3.4Å; M53-T56 PolarHBondContact O-OG1 3.15Å; S54-T56 PolarHBondContact O-N 2.96Å
57I93.1Very high97.3Very high16 Ų1660.8 Ų60.88%0.08232%0.316CS..  trans-68.1143.5-179.2-157176.4000112.3M53 S54 D59 V62 R64 L135 F139M53-I57 PolarHBondContact O-N 3.04Å; S54-I57 WeakPolarHBondContact O-CG2 3.18Å; S54-I57 PolarHBondContact O-N 2.96Å; I57-D59 HydrophobicContact CD1-CB 4.06Å; I57-D59 HydrophobicContact CG1-CB 4.27Å; I57-V62 HydrophobicContact CD1-CG2 4.22Å; I57-V62 HydrophobicContact CG2-CG2 4.43Å; I57-R64 HydrophobicContact CG2-CB 4.44Å; I57-R64 HydrophobicContact CG2-CG 4.1Å; I57-L135 HydrophobicContact CD1-CD1 3.89Å; I57-L135 HydrophobicContact CD1-CD2 3.29Å; I57-L135 HydrophobicContact CD1-CG 4.17Å; I57-F139 HydrophobicContact CB-CZ 4.36Å; I57-F139 HydrophobicContact CD1-CZ 4.04Å; I57-F139 HydrophobicContact CG1-CZ 4.45Å
58T93.7Very high97.3Very high118 Ų11861.9 Ų61.972%0.72432%0.322SS*.  trans-111.9-5-17948.10000114.7P60T58-P60 VanDerWaalsContact O-CD 3.32Å; T58-P60 WeakPolarHBondContact O-CD 3.32Å
59D94.4Very high97.3Very high40 Ų4059 Ų5921%0.21431%0.313CS..  trans-63.3117.1175.6-175-11.9000110.4I57 T61 V62 H174I57-D59 HydrophobicContact CD1-CB 4.06Å; I57-D59 HydrophobicContact CG1-CB 4.27Å; D59-T61 PolarHBondContact O-N 3.21Å; D59-T61 VanDerWaalsContact OD1-CB 3.3Å; D59-T61 WeakPolarHBondContact OD1-CB 3.27Å; D59-T61 WeakPolarHBondContact OD1-CG2 3.4Å; D59-T61 PolarHBondContact OD1-N 2.93Å; D59-T61 PolarHBondContact OD1-OG1 2.64Å; D59-T61 PolarHBondContact OD2-OG1 3.29Å; D59-T61 VanDerWaalsContact OD2-OG1 3.05Å; D59-V62 HydrophobicContact CB-CG2 4.18Å; D59-H174 IonicContact OD2-CE1 2.82Å; D59-H174 IonicContact OD2-NE2 3.84Å; D59-H174 PolarHBondContact OD2-NE2 3.11Å; D59-H174 VanDerWaalsContact OD2-NE2 3.1Å
60P94.7Very high97.3Very high124 Ų12456.6 Ų56.681%0.80530%0.304SS*.THydrogen-bonded Turntrans-78.2-1.8179.734.8-37.8000113.8T58T58-P60 VanDerWaalsContact O-CD 3.32Å; T58-P60 WeakPolarHBondContact O-CD 3.32Å
61T95.9Very high97.3Very high107 Ų10756.6 Ų56.666%0.65630%0.304SS*.THydrogen-bonded Turntrans-89.6-4.6-178.7720000114.1D59D59-T61 PolarHBondContact O-N 3.21Å; D59-T61 VanDerWaalsContact OD1-CB 3.3Å; D59-T61 WeakPolarHBondContact OD1-CB 3.27Å; D59-T61 WeakPolarHBondContact OD1-CG2 3.4Å; D59-T61 PolarHBondContact OD1-N 2.93Å; D59-T61 PolarHBondContact OD1-OG1 2.64Å; D59-T61 PolarHBondContact OD2-OG1 3.29Å; D59-T61 VanDerWaalsContact OD2-OG1 3.05Å
62V96.8Very high97.3Very high20 Ų2060.3 Ų60.312%0.12132%0.321CS..SBendtrans-120.8144.5177.8-65.70000111.8I57 D59 R64 P131 E132 L135I57-V62 HydrophobicContact CD1-CG2 4.22Å; I57-V62 HydrophobicContact CG2-CG2 4.43Å; D59-V62 HydrophobicContact CB-CG2 4.18Å; V62-R64 PolarHBondContact O-N 2.72Å; V62-P131 HydrophobicContact CG1-CB 4.13Å; V62-E132 WeakPolarHBondContact CA-OE1 3.48Å; V62-E132 HydrophobicContact CB-CG 4.3Å; V62-L135 HydrophobicContact CB-CD2 4.3Å; V62-L135 HydrophobicContact CG1-CD2 4.16Å; V62-L135 HydrophobicContact CG2-CD2 3.83Å
63D98.1Very high97.3Very high86 Ų8656.8 Ų56.846%0.4631%0.305SS..  trans-75104.8169-176.9-19.4000109.9D65 R66 C67 E132D63-D65 VanDerWaalsContact C-N 3.34Å; D63-D65 PolarHBondContact O-N 2.71Å; D63-D65 WeakPolarHBondContact OD1-CA 3.46Å; D63-D65 PolarHBondContact OD1-N 3.18Å; D63-R66 HydrophobicContact CB-CB 3.74Å; D63-R66 WeakPolarHBondContact O-CB 3.5Å; D63-R66 PolarHBondContact O-N 2.98Å; D63-R66 PolarHBondContact OD1-N 3.11Å; D63-C67 PolarHBondContact O-N 2.91Å; D63-C67 PolarHBondContact O-SG 3.4Å; D63-E132 HydrophobicContact CB-CG 4.33Å; D63-E132 PolarHBondContact N-OE1 3.15Å
64R97.4Very high97.3Very high112 Ų11256 Ų5642%0.42330%0.3SS..Hα-helixtrans-59.5-40.6177.6-173.5178.766.6-168.7-7.1113.3S54 L55 I57 V62 R66 C67 I68S54-R64 WeakPolarHBondContact O-CG 3.48Å; L55-R64 WeakPolarHBondContact O-CD 3.4Å; I57-R64 HydrophobicContact CG2-CB 4.44Å; I57-R64 HydrophobicContact CG2-CG 4.1Å; V62-R64 PolarHBondContact O-N 2.72Å; R64-R66 VanDerWaalsContact C-N 3.3Å; R64-C67 WeakPolarHBondContact O-CB 3.43Å; R64-C67 PolarHBondContact O-N 3.07Å; R64-I68 HydrophobicContact CG-CD1 4.31Å; R64-I68 WeakPolarHBondContact O-CG1 3.27Å; R64-I68 PolarHBondContact O-N 3.12Å
65D98.2Very high97.3Very high96 Ų9656.7 Ų56.751%0.51331%0.305SS..Hα-helixtrans-72.4-31.6-177.8-70.13.6000109.9D63 K69D63-D65 VanDerWaalsContact C-N 3.34Å; D63-D65 PolarHBondContact O-N 2.71Å; D63-D65 WeakPolarHBondContact OD1-CA 3.46Å; D63-D65 PolarHBondContact OD1-N 3.18Å; D65-K69 WeakPolarHBondContact O-CG 3.46Å; D65-K69 PolarHBondContact O-N 3.11Å; D65-K69 VanDerWaalsContact O-N 3.11Å
66R98.4Very high97.4Very high59 Ų5953.8 Ų53.822%0.22329%0.289CS..Hα-helixtrans-65.1-44.2167.1-168.671178.7170.93.6111.6D63 R64 I68 K69 L70 E124 E132D63-R66 HydrophobicContact CB-CB 3.74Å; D63-R66 WeakPolarHBondContact O-CB 3.5Å; D63-R66 PolarHBondContact O-N 2.98Å; D63-R66 PolarHBondContact OD1-N 3.11Å; R64-R66 VanDerWaalsContact C-N 3.3Å; R66-I68 PolarHBondContact O-N 3.12Å; R66-K69 PolarHBondContact O-N 3.11Å; R66-L70 HydrophobicContact CG-CD1 4.17Å; R66-L70 HydrophobicContact CG-CG 4.5Å; R66-L70 WeakPolarHBondContact O-CG 3.38Å; R66-L70 PolarHBondContact O-N 3.36Å; R66-E124 IonicContact CZ-OE2 3.71Å; R66-E124 IonicContact NE-OE1 3.63Å; R66-E124 IonicContact NE-OE2 3.83Å; R66-E124 PolarHBondContact NE-OE2 2.89Å; R66-E124 IonicContact NH2-OE2 3.1Å; R66-E124 PolarHBondContact NH2-OE2 2.66Å; R66-E132 HydrophobicContact CB-CG 4.16Å; R66-E132 HydrophobicContact CG-CB 4.33Å; R66-E132 HydrophobicContact CG-CG 4.22Å
67C98.8Very high97.5Very high0 Ų049.1 Ų49.10%026%0.261CS..Hα-helixtrans-57.7-45.7175.6-670000112.3D63 R64 K69 L70 A71 V136D63-C67 PolarHBondContact O-N 2.91Å; D63-C67 PolarHBondContact O-SG 3.4Å; R64-C67 WeakPolarHBondContact O-CB 3.43Å; R64-C67 PolarHBondContact O-N 3.07Å; C67-K69 PolarHBondContact O-N 3.22Å; C67-L70 PolarHBondContact O-N 2.93Å; C67-A71 WeakPolarHBondContact O-CB 3.35Å; C67-A71 PolarHBondContact O-N 2.92Å; C67-V136 HydrophobicContact CB-CG2 3.79Å; C67-V136 WeakPolarHBondContact O-CG2 3.47Å
68I98.8Very high97.7Very high34 Ų3448.7 Ų48.717%0.17426%0.258CS..Hα-helixtrans-59.2-46.2175.3-66.4164000110.7A51 L55 R64 R66 L70 A71 L72A51-I68 HydrophobicContact CB-CG2 4.44Å; L55-I68 HydrophobicContact CB-CD1 4Å; L55-I68 HydrophobicContact CB-CG1 4.38Å; L55-I68 HydrophobicContact CD1-CD1 3.81Å; R64-I68 HydrophobicContact CG-CD1 4.31Å; R64-I68 WeakPolarHBondContact O-CG1 3.27Å; R64-I68 PolarHBondContact O-N 3.12Å; R66-I68 PolarHBondContact O-N 3.12Å; I68-L70 PolarHBondContact O-N 3.39Å; I68-A71 PolarHBondContact O-N 3.34Å; I68-L72 HydrophobicContact CG2-CD1 3.95Å; I68-L72 VanDerWaalsContact O-CG 3.32Å; I68-L72 WeakPolarHBondContact O-CG 3.48Å; I68-L72 PolarHBondContact O-N 3.07Å
69K98.8Very high97.9Very high92 Ų9243.6 Ų43.640%0.423%0.227SC..Hα-helixtrans-62.7-40.2178-75.3178.5178.7-169.70112.8D65 R66 C67 A73 E117 L121D65-K69 WeakPolarHBondContact O-CG 3.46Å; D65-K69 PolarHBondContact O-N 3.11Å; D65-K69 VanDerWaalsContact O-N 3.11Å; R66-K69 PolarHBondContact O-N 3.11Å; C67-K69 PolarHBondContact O-N 3.22Å; K69-A73 WeakPolarHBondContact O-CB 3.38Å; K69-A73 PolarHBondContact O-N 3.13Å; K69-A73 VanDerWaalsContact O-N 3.14Å; K69-E117 IonicContact NZ-OE1 2.69Å; K69-E117 PolarHBondContact NZ-OE1 3.19Å; K69-L121 HydrophobicContact CB-CD1 3.85Å; K69-L121 HydrophobicContact CB-CD2 3.67Å; K69-L121 HydrophobicContact CB-CG 4.45Å; K69-L121 HydrophobicContact CD-CD1 4.46Å
70L98.9Very high98.1Very high0 Ų044.3 Ų44.30%023%0.231CC..Hα-helixtrans-64.5-47.5175.9-71.5165.3000111.1R66 C67 I68 L72 A73 H74 L121 E124 E132 A133 V136R66-L70 HydrophobicContact CG-CD1 4.17Å; R66-L70 HydrophobicContact CG-CG 4.5Å; R66-L70 WeakPolarHBondContact O-CG 3.38Å; R66-L70 PolarHBondContact O-N 3.36Å; C67-L70 PolarHBondContact O-N 2.93Å; I68-L70 PolarHBondContact O-N 3.39Å; L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 2.81Å; L70-A73 PolarHBondContact O-N 2.98Å; L70-H74 PolarHBondContact O-N 3.3Å; L70-L121 HydrophobicContact CD2-CB 4.34Å; L70-L121 HydrophobicContact CD2-CD2 3.7Å; L70-L121 WeakPolarHBondContact CD2-O 3.45Å; L70-L121 HydrophobicContact CG-CD2 3.83Å; L70-E124 HydrophobicContact CD2-CB 4.16Å; L70-E124 HydrophobicContact CD2-CG 4.28Å; L70-E132 HydrophobicContact CD1-CB 3.61Å; L70-A133 HydrophobicContact CD1-CB 4.41Å; L70-V136 HydrophobicContact CB-CB 4.42Å; L70-V136 HydrophobicContact CB-CG1 4.26Å; L70-V136 HydrophobicContact CB-CG2 4.1Å; L70-V136 HydrophobicContact CD1-CG2 4.39Å
71A98.8Very high98.2Very high0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-57.5-41.6177.700000112.1M47 M50 A51 C67 I68 A73 H74 V136M47-A71 WeakPolarHBondContact CG-O 3.42Å; M50-A71 HydrophobicContact CB-CB 3.94Å; M50-A71 HydrophobicContact CE-CB 4.35Å; A51-A71 HydrophobicContact CB-CB 4.33Å; C67-A71 WeakPolarHBondContact O-CB 3.35Å; C67-A71 PolarHBondContact O-N 2.92Å; I68-A71 PolarHBondContact O-N 3.34Å; A71-A73 VanDerWaalsContact C-N 3.3Å; A71-A73 PolarHBondContact O-N 2.99Å; A71-H74 PolarHBondContact O-CE1 3.26Å; A71-H74 PolarHBondContact O-ND1 3.09Å; A71-V136 HydrophobicContact CB-CG1 4.02Å
72L98.8Very high98.3Very high88 Ų8836.4 Ų36.446%0.46119%0.185SC..Hα-helixtrans-74.2-14.8176.3-67.1172.3000114.5A51 I68 L70 M76A51-L72 HydrophobicContact CB-CD2 3.85Å; A51-L72 HydrophobicContact CB-CG 3.99Å; I68-L72 HydrophobicContact CG2-CD1 3.95Å; I68-L72 VanDerWaalsContact O-CG 3.32Å; I68-L72 WeakPolarHBondContact O-CG 3.48Å; I68-L72 PolarHBondContact O-N 3.07Å; L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 2.81Å; L72-M76 WeakPolarHBondContact O-CG 3.38Å
73A98.6Very high98.3Very high3 Ų336.5 Ų36.53%0.02518%0.184CC..Hα-helixtrans-105.7-28.4-172.800000114.8K69 L70 A71 M76 L121K69-A73 WeakPolarHBondContact O-CB 3.38Å; K69-A73 PolarHBondContact O-N 3.13Å; K69-A73 VanDerWaalsContact O-N 3.14Å; L70-A73 PolarHBondContact O-N 2.98Å; A71-A73 VanDerWaalsContact C-N 3.3Å; A71-A73 PolarHBondContact O-N 2.99Å; A73-M76 VanDerWaalsContact CA-SD 3.59Å; A73-M76 HydrophobicContact CB-SD 4.11Å; A73-M76 VanDerWaalsContact O-CB 3.31Å; A73-M76 WeakPolarHBondContact O-CB 3.28Å; A73-M76 VanDerWaalsContact O-CG 3.28Å; A73-M76 WeakPolarHBondContact O-CG 3.24Å; A73-M76 PolarHBondContact O-N 2.78Å; A73-L121 HydrophobicContact CB-CB 3.82Å; A73-L121 HydrophobicContact CB-CD1 4.41Å
74H98.7Very high98.1Very high4 Ų433.4 Ų33.42%0.01917%0.168CC..G310 helixtrans-63.6-49.5-16476.3-67.9000114.5H46 M50 L70 A71 M76 W122 Y125H46-H74 AromaticContact NE2-NE2 3.83Å; M50-H74 WeakPolarHBondContact CE-CE1 3.24Å; M50-H74 PolarHBondContact SD-CE1 3.39Å; L70-H74 PolarHBondContact O-N 3.3Å; A71-H74 PolarHBondContact O-CE1 3.26Å; A71-H74 PolarHBondContact O-ND1 3.09Å; H74-M76 VanDerWaalsContact C-N 3.3Å; H74-M76 PolarHBondContact O-N 2.88Å; H74-W122 VanDerWaalsContact O-CD1 3.28Å; H74-Y125 HydrophobicContact CB-CD1 3.57Å; H74-Y125 HydrophobicContact CB-CD2 3.82Å; H74-Y125 HydrophobicContact CB-CE1 3.74Å; H74-Y125 HydrophobicContact CB-CE2 3.97Å; H74-Y125 HydrophobicContact CB-CG 3.59Å; H74-Y125 AromaticContact CD2-CE1 3.57Å; H74-Y125 AromaticContact CD2-CE2 3.87Å; H74-Y125 AromaticContact CD2-CZ 3.26Å; H74-Y125 PolarHBondContact CD2-OH 2.97Å; H74-Y125 AromaticContact CG-CZ 3.81Å
75D98.6Very high97.8Very high16 Ų1628.5 Ų28.59%0.08615%0.151CC..G310 helixtrans-90.615.3179.3-68.8-6.6000112.7R29 V43 H46 M47 A77 E78R29-D75 IonicContact NH1-OD2 2.76Å; R29-D75 PolarHBondContact NH1-OD2 3.03Å; R29-D75 VanDerWaalsContact NH1-OD2 3.11Å; V43-D75 HydrophobicContact CG1-CB 3.63Å; H46-D75 IonicContact CD2-OD2 2.66Å; H46-D75 IonicContact NE2-OD2 2.89Å; M47-D75 HydrophobicContact CG-CB 4.35Å; M47-D75 HydrophobicContact SD-CB 3.96Å; D75-A77 PolarHBondContact O-N 3.37Å; D75-A77 VanDerWaalsContact O-N 3.12Å; D75-E78 HydrophobicContact CB-CG 4.17Å; D75-E78 WeakPolarHBondContact O-CB 3.35Å; D75-E78 WeakPolarHBondContact O-CG 3.3Å; D75-E78 PolarHBondContact O-N 2.99Å; D75-E78 VanDerWaalsContact O-N 3.1Å
76M98.6Very high97.2Very high15 Ų1530.1 Ų30.17%0.07417%0.167CC..G310 helixtrans-58.9-27.6177.6-74.4179.9102.500113.2F17 I21 L72 A73 H74 E78 C79 M103 L106 I118F17-M76 HydrophobicContact CE2-CE 4.2Å; F17-M76 HydrophobicContact CZ-CE 3.61Å; I21-M76 HydrophobicContact CD1-CE 3.37Å; I21-M76 HydrophobicContact CG1-CE 4.05Å; L72-M76 WeakPolarHBondContact O-CG 3.38Å; A73-M76 VanDerWaalsContact CA-SD 3.59Å; A73-M76 HydrophobicContact CB-SD 4.11Å; A73-M76 VanDerWaalsContact O-CB 3.31Å; A73-M76 WeakPolarHBondContact O-CB 3.28Å; A73-M76 VanDerWaalsContact O-CG 3.28Å; A73-M76 WeakPolarHBondContact O-CG 3.24Å; A73-M76 PolarHBondContact O-N 2.78Å; H74-M76 VanDerWaalsContact C-N 3.3Å; H74-M76 PolarHBondContact O-N 2.88Å; M76-E78 PolarHBondContact O-N 3.12Å; M76-C79 PolarHBondContact O-N 3.43Å; M76-C79 PolarHBondContact O-SG 2.86Å; M76-M103 HydrophobicContact CB-CE 4.22Å; M76-M103 HydrophobicContact CB-SD 3.75Å; M76-L106 HydrophobicContact CB-CD2 3.99Å; M76-I118 HydrophobicContact CE-CD1 4.45Å; M76-I118 HydrophobicContact CE-CG2 4.41Å; M76-I118 HydrophobicContact SD-CG2 3.84Å
77A98.5Very high96.8Very high2 Ų231.1 Ų31.12%0.01718%0.183CC..G310 helixtrans-60.7-33.3177.900000112.7D75 C79 I80 V81 E99 A102 M103D75-A77 PolarHBondContact O-N 3.37Å; D75-A77 VanDerWaalsContact O-N 3.12Å; A77-C79 PolarHBondContact O-N 2.98Å; A77-C79 VanDerWaalsContact O-N 3.07Å; A77-I80 PolarHBondContact O-N 3.27Å; A77-V81 PolarHBondContact O-N 2.94Å; A77-E99 HydrophobicContact CB-CB 3.78Å; A77-E99 HydrophobicContact CB-CG 3.76Å; A77-A102 HydrophobicContact CB-CB 4.27Å; A77-M103 HydrophobicContact CB-CG 3.85Å; A77-M103 HydrophobicContact CB-SD 4.15Å
78E98.4Very high96.4Very high6 Ų634.1 Ų34.13%0.02820%0.199CC..Hα-helixtrans-64.3-16.8-175.1-56.5-167.716500112.6L24 V43 D75 M76 I80 G82 D83L24-E78 HydrophobicContact CD2-CB 4.15Å; V43-E78 WeakPolarHBondContact CG1-OE2 3.35Å; V43-E78 WeakPolarHBondContact CG2-OE2 3.38Å; D75-E78 HydrophobicContact CB-CG 4.17Å; D75-E78 WeakPolarHBondContact O-CB 3.35Å; D75-E78 WeakPolarHBondContact O-CG 3.3Å; D75-E78 PolarHBondContact O-N 2.99Å; D75-E78 VanDerWaalsContact O-N 3.1Å; M76-E78 PolarHBondContact O-N 3.12Å; E78-I80 PolarHBondContact O-N 3.43Å; E78-I80 VanDerWaalsContact O-N 3.11Å; E78-G82 WeakPolarHBondContact O-CA 3.41Å; E78-G82 PolarHBondContact O-N 2.93Å; E78-D83 WeakPolarHBondContact OE2-CB 3.22Å
79C98.1Very high96.1Very high11 Ų1139.6 Ų39.67%0.07423%0.229CC..Hα-helixtrans-63.1-15.8171.681.60000114L20 Q23 L24 M76 A77L20-C79 VanDerWaalsContact O-CB 3.27Å; L20-C79 WeakPolarHBondContact O-CB 3.45Å; Q23-C79 HydrophobicContact CB-CB 4.27Å; L24-C79 HydrophobicContact CD1-CB 4.43Å; L24-C79 HydrophobicContact CD2-CB 3.67Å; L24-C79 VanDerWaalsContact CD2-N 3.33Å; L24-C79 HydrophobicContact CG-CB 3.73Å; M76-C79 PolarHBondContact O-N 3.43Å; M76-C79 PolarHBondContact O-SG 2.86Å; A77-C79 PolarHBondContact O-N 2.98Å; A77-C79 VanDerWaalsContact O-N 3.07Å
80I97.9Very high95.9Very high56 Ų5637.2 Ų37.229%0.28722%0.222SC..Hα-helixtrans-115.9-41.2175.6-68.6162.5000111L20 A77 E78 A102 L106L20-I80 HydrophobicContact CD2-CG1 4.26Å; A77-I80 PolarHBondContact O-N 3.27Å; E78-I80 PolarHBondContact O-N 3.43Å; E78-I80 VanDerWaalsContact O-N 3.11Å; I80-A102 HydrophobicContact CB-CB 3.93Å; I80-A102 HydrophobicContact CD1-CB 4.07Å; I80-A102 HydrophobicContact CG2-CB 4.03Å; I80-L106 HydrophobicContact CD1-CB 4.4Å
81V97.4Very high95.8Very high41 Ų4140.6 Ų40.625%0.24825%0.245CC..Hα-helixtrans-94.1-15.1-172.1-54.60000114.7A77 I84 R98 E99 A102A77-V81 PolarHBondContact O-N 2.94Å; V81-I84 HydrophobicContact CG2-CD1 4.42Å; V81-R98 HydrophobicContact CG1-CB 3.99Å; V81-E99 HydrophobicContact CG2-CG 3.83Å; V81-A102 HydrophobicContact CG1-CB 3.78Å
82G97.5Very high95.4Very high24 Ų2448.7 Ų48.725%0.24728%0.281CS..  trans77.2164.9-167.400000112.6E78 I84E78-G82 WeakPolarHBondContact O-CA 3.41Å; E78-G82 PolarHBondContact O-N 2.93Å; G82-I84 PolarHBondContact O-N 3.1Å
83D97.3Very high95.3Very high21 Ų2148.1 Ų48.111%0.11229%0.289CS..  trans-73.6114.6170173.64.9000109.1V27 R29 T30 V43 E78V27-D83 HydrophobicContact CG1-CB 4.07Å; R29-D83 WeakPolarHBondContact CA-OD2 3.38Å; R29-D83 WeakPolarHBondContact CD-OD2 3.35Å; T30-D83 PolarHBondContact N-OD2 3.25Å; T30-D83 PolarHBondContact OG1-O 2.74Å; V43-D83 HydrophobicContact CG2-CB 4.25Å; E78-D83 WeakPolarHBondContact OE2-CB 3.22Å
84I94.7Very high95.2Very high21 Ų2150.6 Ų50.611%0.10830%0.299CS..  trans-96.9103.7-178.9-59.5175.6000108.9V81 G82 D88 V90 K95V81-I84 HydrophobicContact CG2-CD1 4.42Å; G82-I84 PolarHBondContact O-N 3.1Å; I84-D88 HydrophobicContact CG2-CB 4.12Å; I84-V90 HydrophobicContact CG2-CB 3.83Å; I84-V90 HydrophobicContact CG2-CG1 4.4Å; I84-V90 HydrophobicContact CG2-CG2 3.84Å; I84-K95 HydrophobicContact CD1-CG 4.41Å
85A90.9Very high95Very high10 Ų1053 Ų538%0.08331%0.31CS..  trans-81.8161.5-179.300000112.1T30 Y34 S87 D88T30-A85 HydrophobicContact CG2-CB 3.58Å; Y34-A85 HydrophobicContact CD2-CB 4.4Å; Y34-A85 HydrophobicContact CE2-CB 4.13Å; A85-S87 PolarHBondContact O-N 3.01Å; A85-S87 VanDerWaalsContact O-N 3.12Å; A85-D88 PolarHBondContact N-OD2 2.57Å; A85-D88 WeakPolarHBondContact O-CB 3.49Å; A85-D88 PolarHBondContact O-N 2.92Å
86P85.6Confident94.9Very high130 Ų13055.4 Ų55.484%0.84432%0.32SS*.G310 helixtrans-53.8-33.3174.4-27.836.2000113.9D88 N89P86-D88 VanDerWaalsContact C-N 3.26Å; P86-D88 PolarHBondContact O-N 3.25Å; P86-N89 PolarHBondContact O-N 2.87Å
87S88.4Confident94.9Very high80 Ų8059.7 Ų59.756%0.55934%0.336SS*.G310 helixtrans-70.3-14.5179.7-53.10000114.4A85 N89A85-S87 PolarHBondContact O-N 3.01Å; A85-S87 VanDerWaalsContact O-N 3.12Å; S87-N89 PolarHBondContact O-N 3.4Å; S87-N89 PolarHBondContact O-ND2 3.21Å
88D91.5Very high94.9Very high63 Ų6364.2 Ų64.234%0.33735%0.352SS..G310 helixtrans-72-9174.1-72.8-71.1000113.1Y34 I84 A85 P86 V90Y34-D88 PolarHBondContact OH-OD1 3.36Å; I84-D88 HydrophobicContact CG2-CB 4.12Å; A85-D88 PolarHBondContact N-OD2 2.57Å; A85-D88 WeakPolarHBondContact O-CB 3.49Å; A85-D88 PolarHBondContact O-N 2.92Å; P86-D88 VanDerWaalsContact C-N 3.26Å; P86-D88 PolarHBondContact O-N 3.25Å; D88-V90 HydrophobicContact CB-CG2 4.08Å; D88-V90 PolarHBondContact O-N 2.85Å; D88-V90 VanDerWaalsContact O-N 3.08Å
89N92.4Very high94.9Very high149 Ų14964.1 Ų64.180%0.79735%0.352SS*.  trans56.621.8-179.5-64.6-86.6000114.4P86 S87P86-N89 PolarHBondContact O-N 2.87Å; S87-N89 PolarHBondContact O-N 3.4Å; S87-N89 PolarHBondContact O-ND2 3.21Å
90V94.7Very high94.9Very high42 Ų4266 Ų6626%0.25536%0.36SS..  trans-74.9128.9172.4-1790000109.1I84 D88 E94 K95I84-V90 HydrophobicContact CG2-CB 3.83Å; I84-V90 HydrophobicContact CG2-CG1 4.4Å; I84-V90 HydrophobicContact CG2-CG2 3.84Å; D88-V90 HydrophobicContact CB-CG2 4.08Å; D88-V90 PolarHBondContact O-N 2.85Å; D88-V90 VanDerWaalsContact O-N 3.08Å; V90-E94 HydrophobicContact CG1-CB 4.01Å; V90-E94 HydrophobicContact CG1-CG 3.94Å; V90-K95 HydrophobicContact CG1-CB 4.14Å
91S95.7Very high94.9Very high70 Ų7069 Ų6949%0.4937%0.373SS..  trans-66.6149178.277.60000111.1A93 E94 K95S91-A93 PolarHBondContact O-N 3.1Å; S91-A93 VanDerWaalsContact O-N 3.12Å; S91-E94 PolarHBondContact O-N 2.84Å; S91-E94 PolarHBondContact OG-N 2.66Å; S91-K95 PolarHBondContact O-N 2.71Å
92K91.6Very high95Very high171 Ų17167.2 Ų67.274%0.74336%0.362SS*.Hα-helixtrans-52.9-37.7178.1-172.9179.2179.9-176.30112.4H96K92-H96 VanDerWaalsContact O-CB 3.29Å; K92-H96 WeakPolarHBondContact O-CB 3.37Å; K92-H96 PolarHBondContact O-N 3.44Å
93A95.5Very high95Very high76 Ų7666.1 Ų66.163%0.62835%0.35SS*.Hα-helixtrans-67-40.117800000112.8S91 R97S91-A93 PolarHBondContact O-N 3.1Å; S91-A93 VanDerWaalsContact O-N 3.12Å; A93-R97 VanDerWaalsContact O-CB 3.32Å; A93-R97 WeakPolarHBondContact O-CB 3.48Å; A93-R97 PolarHBondContact O-N 3.43Å
94E97.2Very high95.1Very high54 Ų5471 Ų7125%0.25237%0.367SS..Hα-helixtrans-75.9-35.5177.6176.959.8-171.100112.2V90 S91 R97 R98V90-E94 HydrophobicContact CG1-CB 4.01Å; V90-E94 HydrophobicContact CG1-CG 3.94Å; S91-E94 PolarHBondContact O-N 2.84Å; S91-E94 PolarHBondContact OG-N 2.66Å; E94-R97 PolarHBondContact O-N 3.32Å; E94-R97 IonicContact OE1-CZ 3.47Å; E94-R97 IonicContact OE1-NE 3.42Å; E94-R97 IonicContact OE1-NH2 3.82Å; E94-R97 PolarHBondContact OE1-NH2 3.46Å; E94-R97 IonicContact OE2-CZ 3.47Å; E94-R97 IonicContact OE2-NE 2.64Å; E94-R97 PolarHBondContact OE2-NE 2.82Å; E94-R97 IonicContact OE2-NH2 3.45Å; E94-R97 PolarHBondContact OE2-NH2 3.25Å; E94-R98 VanDerWaalsContact O-CG 3.29Å; E94-R98 WeakPolarHBondContact O-CG 3.22Å; E94-R98 PolarHBondContact O-N 3.02Å; E94-R98 IonicContact OE1-CZ 2.78Å; E94-R98 IonicContact OE1-NE 3.43Å; E94-R98 PolarHBondContact OE1-NE 3.3Å; E94-R98 IonicContact OE1-NH2 3.54Å; E94-R98 PolarHBondContact OE1-NH2 2.8Å; E94-R98 VanDerWaalsContact OE1-NH2 3.1Å
95K95.4Very high95.2Very high54 Ų5477.3 Ų77.324%0.23539%0.39CS..Hα-helixtrans-56.8-56.5170.1-178.8-179.4-171.7-67.20109.8I84 V90 S91 R97 R98 E99I84-K95 HydrophobicContact CD1-CG 4.41Å; V90-K95 HydrophobicContact CG1-CB 4.14Å; S91-K95 PolarHBondContact O-N 2.71Å; K95-R97 PolarHBondContact O-N 2.82Å; K95-R98 PolarHBondContact O-N 3.23Å; K95-R98 VanDerWaalsContact O-N 3.15Å; K95-E99 WeakPolarHBondContact CE-OE1 3.45Å; K95-E99 WeakPolarHBondContact CG-OE1 3.21Å; K95-E99 IonicContact NZ-OE1 2.7Å; K95-E99 PolarHBondContact NZ-OE1 2.64Å; K95-E99 IonicContact NZ-OE2 3.14Å; K95-E99 PolarHBondContact NZ-OE2 3.38Å; K95-E99 WeakPolarHBondContact O-CG 3.49Å; K95-E99 PolarHBondContact O-N 2.78Å
96H96.4Very high95.5Very high67 Ų6776.8 Ų76.831%0.3139%0.386SS..Hα-helixtrans-56.9-45.3179.1-174.776.8000112.2K92 R98 E99 E100 W122 E126K92-H96 VanDerWaalsContact O-CB 3.29Å; K92-H96 WeakPolarHBondContact O-CB 3.37Å; K92-H96 PolarHBondContact O-N 3.44Å; H96-R98 PolarHBondContact O-N 3.02Å; H96-E99 PolarHBondContact O-N 3.32Å; H96-E100 VanDerWaalsContact O-CB 3.3Å; H96-E100 WeakPolarHBondContact O-CB 3.46Å; H96-E100 PolarHBondContact O-N 3.47Å; H96-W122 AromaticContact CE1-CH2 3.68Å; H96-E126 IonicContact CE1-OE2 2.77Å; H96-E126 IonicContact CG-OE2 3.74Å; H96-E126 IonicContact ND1-OE2 2.75Å; H96-E126 PolarHBondContact ND1-OE2 3.37Å
97R98.3Very high96.1Very high106 Ų10670.8 Ų70.840%0.435%0.347SS..Hα-helixtrans-59.6-42.2177.6-168.5-157.264.268.71.3112.7A93 E94 K95 E101A93-R97 VanDerWaalsContact O-CB 3.32Å; A93-R97 WeakPolarHBondContact O-CB 3.48Å; A93-R97 PolarHBondContact O-N 3.43Å; E94-R97 PolarHBondContact O-N 3.32Å; E94-R97 IonicContact OE1-CZ 3.47Å; E94-R97 IonicContact OE1-NE 3.42Å; E94-R97 IonicContact OE1-NH2 3.82Å; E94-R97 PolarHBondContact OE1-NH2 3.46Å; E94-R97 IonicContact OE2-CZ 3.47Å; E94-R97 IonicContact OE2-NE 2.64Å; E94-R97 PolarHBondContact OE2-NE 2.82Å; E94-R97 IonicContact OE2-NH2 3.45Å; E94-R97 PolarHBondContact OE2-NH2 3.25Å; K95-R97 PolarHBondContact O-N 2.82Å; R97-E101 IonicContact CZ-OE2 3.48Å; R97-E101 IonicContact NH1-OE2 3.67Å; R97-E101 PolarHBondContact NH1-OE2 3.35Å; R97-E101 WeakPolarHBondContact O-CB 3.49Å; R97-E101 PolarHBondContact O-N 3.31Å; R97-E101 VanDerWaalsContact O-N 3.1Å
98R98.3Very high96.5Very high96 Ų9670.2 Ų70.236%0.36234%0.343SS..Hα-helixtrans-66.4-42.1177.2-72174.8-173-172.86.1111.7V81 E94 K95 H96 E101 A102V81-R98 HydrophobicContact CG1-CB 3.99Å; E94-R98 VanDerWaalsContact O-CG 3.29Å; E94-R98 WeakPolarHBondContact O-CG 3.22Å; E94-R98 PolarHBondContact O-N 3.02Å; E94-R98 IonicContact OE1-CZ 2.78Å; E94-R98 IonicContact OE1-NE 3.43Å; E94-R98 PolarHBondContact OE1-NE 3.3Å; E94-R98 IonicContact OE1-NH2 3.54Å; E94-R98 PolarHBondContact OE1-NH2 2.8Å; E94-R98 VanDerWaalsContact OE1-NH2 3.1Å; K95-R98 PolarHBondContact O-N 3.23Å; K95-R98 VanDerWaalsContact O-N 3.15Å; H96-R98 PolarHBondContact O-N 3.02Å; R98-E101 PolarHBondContact O-N 2.89Å; R98-A102 WeakPolarHBondContact O-CB 3.1Å; R98-A102 PolarHBondContact O-N 2.8Å
99E98.1Very high96.8Very high5 Ų568.6 Ų68.62%0.02333%0.334CS..Hα-helixtrans-71.2-39.1-178.4-72.3166-17800111.8A77 V81 K95 H96 A102 M103 W122A77-E99 HydrophobicContact CB-CB 3.78Å; A77-E99 HydrophobicContact CB-CG 3.76Å; V81-E99 HydrophobicContact CG2-CG 3.83Å; K95-E99 WeakPolarHBondContact CE-OE1 3.45Å; K95-E99 WeakPolarHBondContact CG-OE1 3.21Å; K95-E99 IonicContact NZ-OE1 2.7Å; K95-E99 PolarHBondContact NZ-OE1 2.64Å; K95-E99 IonicContact NZ-OE2 3.14Å; K95-E99 PolarHBondContact NZ-OE2 3.38Å; K95-E99 WeakPolarHBondContact O-CG 3.49Å; K95-E99 PolarHBondContact O-N 2.78Å; H96-E99 PolarHBondContact O-N 3.32Å; E99-A102 PolarHBondContact O-N 3.1Å; E99-M103 WeakPolarHBondContact O-CB 3.31Å; E99-M103 WeakPolarHBondContact O-CG 3.37Å; E99-M103 PolarHBondContact O-N 3.31Å; E99-W122 HydrophobicContact CB-CZ2 3.79Å
100E98.4Very high97Very high51 Ų5162 Ų6224%0.23830%0.299CS..Hα-helixtrans-59.8-47.5171.2-163.9-159.8155.100111H96 A102 M103 R104 W122H96-E100 VanDerWaalsContact O-CB 3.3Å; H96-E100 WeakPolarHBondContact O-CB 3.46Å; H96-E100 PolarHBondContact O-N 3.47Å; E100-A102 VanDerWaalsContact C-N 3.35Å; E100-A102 PolarHBondContact O-N 3.45Å; E100-M103 PolarHBondContact O-N 3.47Å; E100-R104 WeakPolarHBondContact O-CB 3.42Å; E100-R104 VanDerWaalsContact O-CG 3.24Å; E100-R104 WeakPolarHBondContact O-CG 3.41Å; E100-R104 PolarHBondContact O-N 2.95Å; E100-R104 IonicContact OE1-CZ 2.64Å; E100-R104 IonicContact OE1-NE 2.96Å; E100-R104 PolarHBondContact OE1-NE 3.4Å; E100-R104 IonicContact OE1-NH2 3.19Å; E100-R104 PolarHBondContact OE1-NH2 3.37Å; E100-W122 VanDerWaalsContact CA-CH2 3.45Å; E100-W122 HydrophobicContact CB-CH2 3.64Å; E100-W122 HydrophobicContact CB-CZ2 4.46Å; E100-W122 HydrophobicContact CB-CZ3 4.23Å; E100-W122 HydrophobicContact CG-CH2 3.97Å; E100-W122 HydrophobicContact CG-CZ3 4.07Å
101E98.6Very high97.1Very high119 Ų11963.4 Ų63.456%0.55631%0.308SS*.Hα-helixtrans-60.2-44.2176.8-171.8-177.9162.600111.4R97 R98 R105R97-E101 IonicContact CZ-OE2 3.48Å; R97-E101 IonicContact NH1-OE2 3.67Å; R97-E101 PolarHBondContact NH1-OE2 3.35Å; R97-E101 WeakPolarHBondContact O-CB 3.49Å; R97-E101 PolarHBondContact O-N 3.31Å; R97-E101 VanDerWaalsContact O-N 3.1Å; R98-E101 PolarHBondContact O-N 2.89Å; E101-R105 WeakPolarHBondContact O-CB 3.44Å; E101-R105 PolarHBondContact O-N 3.08Å
102A98.4Very high96.9Very high3 Ų364.9 Ų64.93%0.02531%0.311CS..Hα-helixtrans-63.3-45175.400000112.6A77 I80 V81 R98 E99 E100 R105 L106A77-A102 HydrophobicContact CB-CB 4.27Å; I80-A102 HydrophobicContact CB-CB 3.93Å; I80-A102 HydrophobicContact CD1-CB 4.07Å; I80-A102 HydrophobicContact CG2-CB 4.03Å; V81-A102 HydrophobicContact CG1-CB 3.78Å; R98-A102 WeakPolarHBondContact O-CB 3.1Å; R98-A102 PolarHBondContact O-N 2.8Å; E99-A102 PolarHBondContact O-N 3.1Å; E100-A102 VanDerWaalsContact C-N 3.35Å; E100-A102 PolarHBondContact O-N 3.45Å; A102-R105 PolarHBondContact O-N 3.12Å; A102-L106 VanDerWaalsContact O-CB 3.22Å; A102-L106 WeakPolarHBondContact O-CB 3.27Å; A102-L106 PolarHBondContact O-N 3.24Å
103M98.5Very high97.1Very high0 Ų059.1 Ų59.10%030%0.3CS..Hα-helixtrans-70.2-36.9179.3-74.1-58.3-62.600112.7M76 A77 E99 E100 L106 S107 I118 Y119 W122M76-M103 HydrophobicContact CB-CE 4.22Å; M76-M103 HydrophobicContact CB-SD 3.75Å; A77-M103 HydrophobicContact CB-CG 3.85Å; A77-M103 HydrophobicContact CB-SD 4.15Å; E99-M103 WeakPolarHBondContact O-CB 3.31Å; E99-M103 WeakPolarHBondContact O-CG 3.37Å; E99-M103 PolarHBondContact O-N 3.31Å; E100-M103 PolarHBondContact O-N 3.47Å; M103-L106 PolarHBondContact O-N 3.43Å; M103-L106 HydrophobicContact SD-CD2 3.9Å; M103-S107 VanDerWaalsContact O-CB 3.23Å; M103-S107 WeakPolarHBondContact O-CB 3.4Å; M103-S107 PolarHBondContact O-N 3.48Å; M103-S107 PolarHBondContact O-OG 3.05Å; M103-I118 HydrophobicContact CE-CG2 3.83Å; M103-Y119 HydrophobicContact CB-CD2 4.4Å; M103-W122 HydrophobicContact CB-CD2 4.15Å; M103-W122 HydrophobicContact CB-CE3 4.31Å; M103-W122 HydrophobicContact CB-CG 4.44Å; M103-W122 HydrophobicContact CE-CB 3.79Å; M103-W122 HydrophobicContact CE-CG 4.08Å; M103-W122 HydrophobicContact CG-CB 4.42Å; M103-W122 HydrophobicContact CG-CD2 3.74Å; M103-W122 HydrophobicContact CG-CE3 4.4Å; M103-W122 HydrophobicContact CG-CG 3.7Å; M103-W122 HydrophobicContact SD-CG 4.39Å
104R98.1Very high97.2Very high125 Ų12559.3 Ų59.347%0.47229%0.29SS..Hα-helixtrans-60.5-44.8170.2-73.6-179.7-176.3-63.1-2.7110.9E100 S107 S108 Y119E100-R104 WeakPolarHBondContact O-CB 3.42Å; E100-R104 VanDerWaalsContact O-CG 3.24Å; E100-R104 WeakPolarHBondContact O-CG 3.41Å; E100-R104 PolarHBondContact O-N 2.95Å; E100-R104 IonicContact OE1-CZ 2.64Å; E100-R104 IonicContact OE1-NE 2.96Å; E100-R104 PolarHBondContact OE1-NE 3.4Å; E100-R104 IonicContact OE1-NH2 3.19Å; E100-R104 PolarHBondContact OE1-NH2 3.37Å; R104-S107 PolarHBondContact O-OG 3.45Å; R104-S108 VanDerWaalsContact O-CB 3.32Å; R104-S108 WeakPolarHBondContact O-CB 3.39Å; R104-S108 PolarHBondContact O-N 2.7Å; R104-S108 VanDerWaalsContact O-N 3.13Å; R104-Y119 HydrophobicContact CG-CD2 4.33Å; R104-Y119 HydrophobicContact CG-CE2 3.79Å; R104-Y119 PolarHBondContact NH2-OH 3.12Å; R104-Y119 VanDerWaalsContact NH2-OH 3.11Å
105R97.9Very high97.2Very high152 Ų15260 Ų6057%0.57429%0.292SS*.Hα-helixtrans-64.1-47.6175.5179.6179.1175.9-165.8-0.5112.2E101 A102 S108E101-R105 WeakPolarHBondContact O-CB 3.44Å; E101-R105 PolarHBondContact O-N 3.08Å; A102-R105 PolarHBondContact O-N 3.12Å; R105-S108 PolarHBondContact O-N 2.91Å; R105-S108 PolarHBondContact O-OG 2.8Å
106L97.6Very high97.3Very high0 Ų061.9 Ų61.90%030%0.302CS..Hα-helixtrans-64.8-50.4-176.5-176.365.2000111.5F17 L20 I21 M76 I80 A102 M103 S108 L109F17-L106 HydrophobicContact CD2-CD1 3.71Å; F17-L106 HydrophobicContact CD2-CG 3.92Å; F17-L106 HydrophobicContact CE2-CD1 3.99Å; F17-L106 HydrophobicContact CE2-CD2 4.39Å; F17-L106 HydrophobicContact CE2-CG 3.79Å; L20-L106 HydrophobicContact CB-CD1 3.62Å; L20-L106 HydrophobicContact CD1-CD1 3.71Å; L20-L106 HydrophobicContact CG-CD1 4.32Å; I21-L106 HydrophobicContact CD1-CD1 3.92Å; I21-L106 HydrophobicContact CD1-CD2 3.8Å; I21-L106 HydrophobicContact CD1-CG 4.3Å; M76-L106 HydrophobicContact CB-CD2 3.99Å; I80-L106 HydrophobicContact CD1-CB 4.4Å; A102-L106 VanDerWaalsContact O-CB 3.22Å; A102-L106 WeakPolarHBondContact O-CB 3.27Å; A102-L106 PolarHBondContact O-N 3.24Å; M103-L106 PolarHBondContact O-N 3.43Å; M103-L106 HydrophobicContact SD-CD2 3.9Å; L106-S108 VanDerWaalsContact C-N 3.29Å; L106-S108 PolarHBondContact O-N 3.18Å; L106-L109 WeakPolarHBondContact O-CB 3.47Å; L106-L109 PolarHBondContact O-N 3.24Å
107S97.4Very high97.4Very high4 Ų462 Ų623%0.02830%0.303CS..Hα-helixtrans-65.6-27.1177.863.60000113.3M103 R104 L109 L110 K115M103-S107 VanDerWaalsContact O-CB 3.23Å; M103-S107 WeakPolarHBondContact O-CB 3.4Å; M103-S107 PolarHBondContact O-N 3.48Å; M103-S107 PolarHBondContact O-OG 3.05Å; R104-S107 PolarHBondContact O-OG 3.45Å; S107-L109 PolarHBondContact O-N 3.47Å; S107-L109 VanDerWaalsContact O-N 3.09Å; S107-L110 WeakPolarHBondContact O-CB 3.43Å; S107-L110 PolarHBondContact O-N 2.96Å; S107-K115 WeakPolarHBondContact O-CB 3.43Å; S107-K115 WeakPolarHBondContact O-CG 3.3Å
108S97.1Very high97.4Very high67 Ų6758.5 Ų58.547%0.46929%0.292SS..THydrogen-bonded Turntrans-61.8-16.4176.177.90000114.8R104 R105 L106 L110R104-S108 VanDerWaalsContact O-CB 3.32Å; R104-S108 WeakPolarHBondContact O-CB 3.39Å; R104-S108 PolarHBondContact O-N 2.7Å; R104-S108 VanDerWaalsContact O-N 3.13Å; R105-S108 PolarHBondContact O-N 2.91Å; R105-S108 PolarHBondContact O-OG 2.8Å; L106-S108 VanDerWaalsContact C-N 3.29Å; L106-S108 PolarHBondContact O-N 3.18Å; S108-L110 VanDerWaalsContact C-N 3.28Å
109L97.6Very high97.4Very high30 Ų3055.4 Ų55.416%0.15728%0.28CS..THydrogen-bonded Turntrans-81.7-6176.3-60.7172000113.2N13 Q16 F17 L20 L106 S107N13-L109 HydrophobicContact CB-CB 4.39Å; N13-L109 HydrophobicContact CB-CD2 4.41Å; N13-L109 VanDerWaalsContact CB-O 3.29Å; N13-L109 WeakPolarHBondContact CB-O 3.38Å; Q16-L109 HydrophobicContact CB-CD1 4.33Å; Q16-L109 HydrophobicContact CG-CD1 3.98Å; Q16-L109 HydrophobicContact CG-CD2 4.42Å; F17-L109 HydrophobicContact CB-CB 4.02Å; F17-L109 HydrophobicContact CB-CD1 4.2Å; L20-L109 HydrophobicContact CD1-CD1 3.67Å; L106-L109 WeakPolarHBondContact O-CB 3.47Å; L106-L109 PolarHBondContact O-N 3.24Å; S107-L109 PolarHBondContact O-N 3.47Å; S107-L109 VanDerWaalsContact O-N 3.09Å
110L96.8Very high97.5Very high10 Ų1057 Ų575%0.05229%0.294CS..SBendtrans-105160.4-174-61.3174000112.8M14 F17 S107 S108 D112 L114 K115 I118M14-L110 HydrophobicContact CE-CD2 3.69Å; M14-L110 HydrophobicContact SD-CD2 3.92Å; F17-L110 HydrophobicContact CB-CD2 4.22Å; F17-L110 HydrophobicContact CD1-CD2 3.83Å; F17-L110 HydrophobicContact CD2-CD1 4.07Å; F17-L110 HydrophobicContact CD2-CD2 3.79Å; F17-L110 HydrophobicContact CD2-CG 3.86Å; F17-L110 HydrophobicContact CE1-CD2 4.07Å; F17-L110 HydrophobicContact CE2-CD1 3.64Å; F17-L110 HydrophobicContact CE2-CD2 4.02Å; F17-L110 HydrophobicContact CE2-CG 3.97Å; F17-L110 HydrophobicContact CG-CD2 3.68Å; F17-L110 HydrophobicContact CG-CG 4.26Å; F17-L110 HydrophobicContact CZ-CD1 3.96Å; F17-L110 HydrophobicContact CZ-CD2 4.15Å; F17-L110 HydrophobicContact CZ-CG 4.45Å; S107-L110 WeakPolarHBondContact O-CB 3.43Å; S107-L110 PolarHBondContact O-N 2.96Å; S108-L110 VanDerWaalsContact C-N 3.28Å; L110-D112 PolarHBondContact O-N 3.15Å; L110-L114 HydrophobicContact CB-CB 4.06Å; L110-L114 HydrophobicContact CD1-CB 4.33Å; L110-K115 HydrophobicContact CB-CB 4.25Å; L110-I118 HydrophobicContact CD1-CB 4.49Å; L110-I118 HydrophobicContact CD1-CD1 3.73Å; L110-I118 HydrophobicContact CD1-CG1 4.43Å
111P95.8Very high97.5Very high71 Ų7154.9 Ų54.946%0.46128%0.284SS..  trans-29.5127.6153.743.8-30.1000114.9G113 L114 K115P111-G113 CarbonylContact O-C 3.5Å; P111-L114 CarbonylContact O-C 3.57Å; P111-L114 WeakPolarHBondContact O-CA 3.4Å; P111-L114 PolarHBondContact O-N 3.05Å; P111-K115 VanDerWaalsContact O-CB 3.29Å; P111-K115 WeakPolarHBondContact O-CB 3.29Å; P111-K115 PolarHBondContact O-N 3.32Å
112D92.9Very high97.5Very high101 Ų10149.3 Ų49.354%0.5426%0.258SS..THydrogen-bonded Turntrans-73.3117.5142.3-58.7-102000104.9L110 K115 Q116L110-D112 PolarHBondContact O-N 3.15Å; D112-K115 WeakPolarHBondContact OD1-CD 3.47Å; D112-K115 IonicContact OD1-NZ 3.65Å; D112-K115 PolarHBondContact OD1-NZ 3.31Å; D112-K115 IonicContact OD2-NZ 2.71Å; D112-K115 PolarHBondContact OD2-NZ 3.49Å; D112-Q116 VanDerWaalsContact CA-OE1 3.29Å; D112-Q116 PolarHBondContact OD1-NE2 3.37Å; D112-Q116 PolarHBondContact OD1-OE1 3.07Å
113G95.6Very high97.5Very high50 Ų5053.6 Ų53.652%0.51528%0.278SS..THydrogen-bonded Turncis-99.8-0.719.400000120.5P111 K115 Q116 E117P111-G113 CarbonylContact O-C 3.5Å; G113-K115 PolarHBondContact O-N 2.92Å; G113-Q116 VanDerWaalsContact CA-OE1 3.22Å; G113-Q116 WeakPolarHBondContact O-CB 3.36Å; G113-Q116 PolarHBondContact O-N 2.89Å; G113-Q116 VanDerWaalsContact O-N 3.08Å; G113-E117 PolarHBondContact O-N 2.96Å
114L96.8Very high97.5Very high80 Ų8055 Ų5542%0.41928%0.284SS..Hα-helixtrans-58.3-36.5177.3-74.9175.2000112.8M14 L110 P111 E117 I118M14-L114 HydrophobicContact CE-CD1 4.31Å; L110-L114 HydrophobicContact CB-CB 4.06Å; L110-L114 HydrophobicContact CD1-CB 4.33Å; P111-L114 CarbonylContact O-C 3.57Å; P111-L114 WeakPolarHBondContact O-CA 3.4Å; P111-L114 PolarHBondContact O-N 3.05Å; L114-E117 PolarHBondContact O-N 2.83Å; L114-I118 PolarHBondContact O-N 2.93Å
115K97.4Very high97.5Very high68 Ų6849.2 Ų49.230%0.29626%0.262SS..Hα-helixtrans-57.2-48.5171.6169.3179.2160.4-151.60111.5S107 L110 P111 D112 G113 Y119S107-K115 WeakPolarHBondContact O-CB 3.43Å; S107-K115 WeakPolarHBondContact O-CG 3.3Å; L110-K115 HydrophobicContact CB-CB 4.25Å; P111-K115 VanDerWaalsContact O-CB 3.29Å; P111-K115 WeakPolarHBondContact O-CB 3.29Å; P111-K115 PolarHBondContact O-N 3.32Å; D112-K115 WeakPolarHBondContact OD1-CD 3.47Å; D112-K115 IonicContact OD1-NZ 3.65Å; D112-K115 PolarHBondContact OD1-NZ 3.31Å; D112-K115 IonicContact OD2-NZ 2.71Å; D112-K115 PolarHBondContact OD2-NZ 3.49Å; G113-K115 PolarHBondContact O-N 2.92Å; K115-Y119 WeakPolarHBondContact O-CB 3.44Å; K115-Y119 PolarHBondContact O-N 3.09Å
116Q98.1Very high97.5Very high95 Ų9544.4 Ų44.444%0.44425%0.246SC..Hα-helixtrans-63.4-44.9176.2-7375.2-7.200110.6D112 G113 A120D112-Q116 VanDerWaalsContact CA-OE1 3.29Å; D112-Q116 PolarHBondContact OD1-NE2 3.37Å; D112-Q116 PolarHBondContact OD1-OE1 3.07Å; G113-Q116 VanDerWaalsContact CA-OE1 3.22Å; G113-Q116 WeakPolarHBondContact O-CB 3.36Å; G113-Q116 PolarHBondContact O-N 2.89Å; G113-Q116 VanDerWaalsContact O-N 3.08Å; Q116-A120 WeakPolarHBondContact O-CB 3.32Å; Q116-A120 PolarHBondContact O-N 3.1Å
117E98.3Very high97.6Very high70 Ų7047.7 Ų47.733%0.32727%0.269SS..Hα-helixtrans-61.9-51.4179.5-176.9175.6-169.700112.2K69 G113 L114 A120 L121K69-E117 IonicContact NZ-OE1 2.69Å; K69-E117 PolarHBondContact NZ-OE1 3.19Å; G113-E117 PolarHBondContact O-N 2.96Å; L114-E117 PolarHBondContact O-N 2.83Å; E117-A120 PolarHBondContact O-N 3.49Å; E117-L121 HydrophobicContact CG-CD1 4.09Å; E117-L121 VanDerWaalsContact O-CG 3.31Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.27Å
118I98.3Very high97.6Very high32 Ų3250.1 Ų50.116%0.16428%0.28CS..Hα-helixtrans-69.5-40.4-177.7-68.4-171.6000111.8F17 M76 M103 L110 L114 L121 W122F17-I118 HydrophobicContact CZ-CD1 3.95Å; M76-I118 HydrophobicContact CE-CD1 4.45Å; M76-I118 HydrophobicContact CE-CG2 4.41Å; M76-I118 HydrophobicContact SD-CG2 3.84Å; M103-I118 HydrophobicContact CE-CG2 3.83Å; L110-I118 HydrophobicContact CD1-CB 4.49Å; L110-I118 HydrophobicContact CD1-CD1 3.73Å; L110-I118 HydrophobicContact CD1-CG1 4.43Å; L114-I118 PolarHBondContact O-N 2.93Å; I118-L121 PolarHBondContact O-N 2.98Å; I118-W122 PolarHBondContact O-N 3.09Å
119Y98.6Very high97.6Very high30 Ų3050.6 Ų50.612%0.11828%0.283CS..Hα-helixtrans-64.4-42.8175.2-179.1-87.4000111.3M103 R104 K115 L121 W122 E123M103-Y119 HydrophobicContact CB-CD2 4.4Å; R104-Y119 HydrophobicContact CG-CD2 4.33Å; R104-Y119 HydrophobicContact CG-CE2 3.79Å; R104-Y119 PolarHBondContact NH2-OH 3.12Å; R104-Y119 VanDerWaalsContact NH2-OH 3.11Å; K115-Y119 WeakPolarHBondContact O-CB 3.44Å; K115-Y119 PolarHBondContact O-N 3.09Å; Y119-L121 PolarHBondContact O-N 2.98Å; Y119-W122 HydrophobicContact CE2-CE3 4.19Å; Y119-W122 HydrophobicContact CE2-CZ3 4.15Å; Y119-W122 PolarHBondContact O-N 2.7Å; Y119-E123 HydrophobicContact CE1-CB 4.27Å; Y119-E123 VanDerWaalsContact CE1-OE1 3.22Å; Y119-E123 WeakPolarHBondContact CE1-OE1 3.42Å; Y119-E123 WeakPolarHBondContact O-CB 3.23Å; Y119-E123 PolarHBondContact O-N 3.16Å; Y119-E123 PolarHBondContact OH-OE1 3.46Å
120A98.6Very high97.7Very high38 Ų3849.9 Ų49.931%0.31428%0.281SS..Hα-helixtrans-66.9-33.4177.700000113.1Q116 E117 E124Q116-A120 WeakPolarHBondContact O-CB 3.32Å; Q116-A120 PolarHBondContact O-N 3.1Å; E117-A120 PolarHBondContact O-N 3.49Å; A120-E124 WeakPolarHBondContact O-CB 3.46Å; A120-E124 PolarHBondContact O-N 3.19Å
121L98.8Very high97.8Very high7 Ų752.5 Ų52.54%0.03730%0.299CS..Hα-helixtrans-61.8-46.9172.6-79.7161.5000111.6K69 L70 A73 E117 I118 Y119 E124 Y125K69-L121 HydrophobicContact CB-CD1 3.85Å; K69-L121 HydrophobicContact CB-CD2 3.67Å; K69-L121 HydrophobicContact CB-CG 4.45Å; K69-L121 HydrophobicContact CD-CD1 4.46Å; L70-L121 HydrophobicContact CD2-CB 4.34Å; L70-L121 HydrophobicContact CD2-CD2 3.7Å; L70-L121 WeakPolarHBondContact CD2-O 3.45Å; L70-L121 HydrophobicContact CG-CD2 3.83Å; A73-L121 HydrophobicContact CB-CB 3.82Å; A73-L121 HydrophobicContact CB-CD1 4.41Å; E117-L121 HydrophobicContact CG-CD1 4.09Å; E117-L121 VanDerWaalsContact O-CG 3.31Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.27Å; I118-L121 PolarHBondContact O-N 2.98Å; Y119-L121 PolarHBondContact O-N 2.98Å; L121-E124 PolarHBondContact O-N 2.93Å; L121-Y125 PolarHBondContact O-N 2.75Å; L121-Y125 VanDerWaalsContact O-N 3.1Å
122W98.7Very high97.9Very high2 Ų250.4 Ų50.41%0.00828%0.283CS..Hα-helixtrans-63.7-44.8176.3172.784.7000112H74 H96 E99 E100 M103 I118 Y119 E124 Y125 E126H74-W122 VanDerWaalsContact O-CD1 3.28Å; H96-W122 AromaticContact CE1-CH2 3.68Å; E99-W122 HydrophobicContact CB-CZ2 3.79Å; E100-W122 VanDerWaalsContact CA-CH2 3.45Å; E100-W122 HydrophobicContact CB-CH2 3.64Å; E100-W122 HydrophobicContact CB-CZ2 4.46Å; E100-W122 HydrophobicContact CB-CZ3 4.23Å; E100-W122 HydrophobicContact CG-CH2 3.97Å; E100-W122 HydrophobicContact CG-CZ3 4.07Å; M103-W122 HydrophobicContact CB-CD2 4.15Å; M103-W122 HydrophobicContact CB-CE3 4.31Å; M103-W122 HydrophobicContact CB-CG 4.44Å; M103-W122 HydrophobicContact CE-CB 3.79Å; M103-W122 HydrophobicContact CE-CG 4.08Å; M103-W122 HydrophobicContact CG-CB 4.42Å; M103-W122 HydrophobicContact CG-CD2 3.74Å; M103-W122 HydrophobicContact CG-CE3 4.4Å; M103-W122 HydrophobicContact CG-CG 3.7Å; M103-W122 HydrophobicContact SD-CG 4.39Å; I118-W122 PolarHBondContact O-N 3.09Å; Y119-W122 HydrophobicContact CE2-CE3 4.19Å; Y119-W122 HydrophobicContact CE2-CZ3 4.15Å; Y119-W122 PolarHBondContact O-N 2.7Å; W122-E124 PolarHBondContact O-N 2.72Å; W122-Y125 PolarHBondContact O-N 3.13Å; W122-E126 HydrophobicContact CD2-CG 4.25Å; W122-E126 HydrophobicContact CH2-CG 4.22Å; W122-E126 HydrophobicContact CZ2-CG 3.67Å; W122-E126 PolarHBondContact O-N 3.33Å
123E98.6Very high98.2Very high94 Ų9445.6 Ų45.644%0.43926%0.257SS..Hα-helixtrans-66-36.2178.8-171.6171.3-10400112.4Y119 S127Y119-E123 HydrophobicContact CE1-CB 4.27Å; Y119-E123 VanDerWaalsContact CE1-OE1 3.22Å; Y119-E123 WeakPolarHBondContact CE1-OE1 3.42Å; Y119-E123 WeakPolarHBondContact O-CB 3.23Å; Y119-E123 PolarHBondContact O-N 3.16Å; Y119-E123 PolarHBondContact OH-OE1 3.46Å; E123-S127 VanDerWaalsContact O-CB 3.23Å; E123-S127 WeakPolarHBondContact O-CB 3.31Å; E123-S127 PolarHBondContact O-N 2.95Å; E123-S127 PolarHBondContact O-OG 3.04Å
124E98.8Very high98.3Very high28 Ų2848.5 Ų48.513%0.13125%0.253CS..Hα-helixtrans-63.3-42.5173.1-174.5-173.7140.800111.6R66 L70 A120 L121 W122 S127 Q128 S129 S130 A133R66-E124 IonicContact CZ-OE2 3.71Å; R66-E124 IonicContact NE-OE1 3.63Å; R66-E124 IonicContact NE-OE2 3.83Å; R66-E124 PolarHBondContact NE-OE2 2.89Å; R66-E124 IonicContact NH2-OE2 3.1Å; R66-E124 PolarHBondContact NH2-OE2 2.66Å; L70-E124 HydrophobicContact CD2-CB 4.16Å; L70-E124 HydrophobicContact CD2-CG 4.28Å; A120-E124 WeakPolarHBondContact O-CB 3.46Å; A120-E124 PolarHBondContact O-N 3.19Å; L121-E124 PolarHBondContact O-N 2.93Å; W122-E124 PolarHBondContact O-N 2.72Å; E124-S127 PolarHBondContact O-OG 2.78Å; E124-Q128 PolarHBondContact O-N 2.98Å; E124-S129 PolarHBondContact O-N 3.41Å; E124-S130 WeakPolarHBondContact CG-OG 3.39Å; E124-S130 VanDerWaalsContact OE1-CB 3.23Å; E124-S130 WeakPolarHBondContact OE1-CB 3.28Å; E124-S130 PolarHBondContact OE1-OG 3.13Å; E124-A133 HydrophobicContact CG-CB 4.25Å; E124-A133 WeakPolarHBondContact O-CB 3.07Å
125Y98.8Very high98.4Very high5 Ų544.9 Ų44.92%0.0223%0.233CC..Hα-helixtrans-65.8-51.1174.6-177.2-89.8000111.9H74 L121 W122 S127 Q128 V136 K137 D140H74-Y125 HydrophobicContact CB-CD1 3.57Å; H74-Y125 HydrophobicContact CB-CD2 3.82Å; H74-Y125 HydrophobicContact CB-CE1 3.74Å; H74-Y125 HydrophobicContact CB-CE2 3.97Å; H74-Y125 HydrophobicContact CB-CG 3.59Å; H74-Y125 AromaticContact CD2-CE1 3.57Å; H74-Y125 AromaticContact CD2-CE2 3.87Å; H74-Y125 AromaticContact CD2-CZ 3.26Å; H74-Y125 PolarHBondContact CD2-OH 2.97Å; H74-Y125 AromaticContact CG-CZ 3.81Å; L121-Y125 PolarHBondContact O-N 2.75Å; L121-Y125 VanDerWaalsContact O-N 3.1Å; W122-Y125 PolarHBondContact O-N 3.13Å; Y125-S127 VanDerWaalsContact C-N 3.29Å; Y125-S127 PolarHBondContact O-N 2.9Å; Y125-Q128 WeakPolarHBondContact O-CG 3.39Å; Y125-Q128 PolarHBondContact O-N 3.4Å; Y125-Q128 PolarHBondContact O-NE2 3.11Å; Y125-V136 HydrophobicContact CD2-CG1 4.18Å; Y125-V136 HydrophobicContact CE2-CB 4.42Å; Y125-V136 HydrophobicContact CE2-CG1 3.92Å; Y125-K137 HydrophobicContact CE1-CD 4.26Å; Y125-K137 HydrophobicContact CE2-CB 4.29Å; Y125-K137 HydrophobicContact CE2-CD 4.17Å; Y125-K137 WeakPolarHBondContact OH-CD 3.36Å; Y125-K137 PolarHBondContact OH-NZ 2.94Å; Y125-D140 PolarHBondContact OH-OD2 3.41Å
126E97.9Very high98.5Very high51 Ų5141.6 Ų41.624%0.23822%0.219CC..Hα-helixtrans-60.5-37.7-179.7-84.4-68.898.300112.9H96 W122H96-E126 IonicContact CE1-OE2 2.77Å; H96-E126 IonicContact CG-OE2 3.74Å; H96-E126 IonicContact ND1-OE2 2.75Å; H96-E126 PolarHBondContact ND1-OE2 3.37Å; W122-E126 HydrophobicContact CD2-CG 4.25Å; W122-E126 HydrophobicContact CH2-CG 4.22Å; W122-E126 HydrophobicContact CZ2-CG 3.67Å; W122-E126 PolarHBondContact O-N 3.33Å
127S97.9Very high98.5Very high69 Ų6940 Ų4048%0.48321%0.211SC..Hα-helixtrans-80.1-13.5176.262.10000114.3E123 E124 Y125 S129E123-S127 VanDerWaalsContact O-CB 3.23Å; E123-S127 WeakPolarHBondContact O-CB 3.31Å; E123-S127 PolarHBondContact O-N 2.95Å; E123-S127 PolarHBondContact O-OG 3.04Å; E124-S127 PolarHBondContact O-OG 2.78Å; Y125-S127 VanDerWaalsContact C-N 3.29Å; Y125-S127 PolarHBondContact O-N 2.9Å; S127-S129 PolarHBondContact O-N 3.01Å; S127-S129 WeakPolarHBondContact OG-CB 3.45Å; S127-S129 PolarHBondContact OG-OG 2.96Å
128Q98.4Very high98.5Very high54 Ų5437.6 Ų37.625%0.25220%0.199SC..THydrogen-bonded Turntrans52.732-175.6-67.3-73.3-74.600113.3E124 Y125 A133 R134E124-Q128 PolarHBondContact O-N 2.98Å; Y125-Q128 WeakPolarHBondContact O-CG 3.39Å; Y125-Q128 PolarHBondContact O-N 3.4Å; Y125-Q128 PolarHBondContact O-NE2 3.11Å; Q128-A133 PolarHBondContact NE2-O 3.25Å; Q128-A133 PolarHBondContact OE1-O 3.47Å; Q128-R134 HydrophobicContact CB-CG 4.2Å; Q128-R134 WeakPolarHBondContact O-CG 3.34Å; Q128-R134 PolarHBondContact O-NH1 3.35Å
129S98.1Very high98.6Very high77 Ų7736.4 Ų36.454%0.53819%0.193SC..  trans-76.7-31.1-165.144.90000113.7E124 S127 R134E124-S129 PolarHBondContact O-N 3.41Å; S127-S129 PolarHBondContact O-N 3.01Å; S127-S129 WeakPolarHBondContact OG-CB 3.45Å; S127-S129 PolarHBondContact OG-OG 2.96Å; S129-R134 VanDerWaalsContact C-NH1 3.3Å; S129-R134 PolarHBondContact O-NH1 2.94Å
130S98.6Very high98.6Very high16 Ų1635.6 Ų35.611%0.11219%0.191CC..SBendtrans-98.3158.3179.265.20000113.8E124 E132 A133 R134E124-S130 WeakPolarHBondContact CG-OG 3.39Å; E124-S130 VanDerWaalsContact OE1-CB 3.23Å; E124-S130 WeakPolarHBondContact OE1-CB 3.28Å; E124-S130 PolarHBondContact OE1-OG 3.13Å; S130-E132 WeakPolarHBondContact CB-OE2 3.39Å; S130-E132 PolarHBondContact O-N 3.35Å; S130-A133 PolarHBondContact O-N 2.67Å; S130-A133 VanDerWaalsContact OG-CB 3.23Å; S130-A133 WeakPolarHBondContact OG-CB 3.39Å; S130-A133 PolarHBondContact OG-N 2.89Å; S130-R134 VanDerWaalsContact C-CZ 3.47Å; S130-R134 WeakPolarHBondContact O-CG 3.49Å; S130-R134 PolarHBondContact O-N 3.45Å; S130-R134 PolarHBondContact O-NH1 2.86Å; S130-R134 VanDerWaalsContact O-NH1 3.13Å
131P98.3Very high98.6Very high64 Ų6434.2 Ų34.242%0.41618%0.178SC..Hα-helixtrans-51.9-42.1165.6-25.534.5000112.6V62 R134 L135V62-P131 HydrophobicContact CG1-CB 4.13Å; P131-R134 PolarHBondContact O-N 2.91Å; P131-L135 WeakPolarHBondContact O-CB 3.31Å; P131-L135 PolarHBondContact O-N 3.43Å
132E98.8Very high98.6Very high28 Ų2833.9 Ų33.913%0.13118%0.176CC..Hα-helixtrans-61.6-47.4179.5-65.873-165.500111.4V62 D63 R66 L70 S130 R134 L135 V136V62-E132 WeakPolarHBondContact CA-OE1 3.48Å; V62-E132 HydrophobicContact CB-CG 4.3Å; D63-E132 HydrophobicContact CB-CG 4.33Å; D63-E132 PolarHBondContact N-OE1 3.15Å; R66-E132 HydrophobicContact CB-CG 4.16Å; R66-E132 HydrophobicContact CG-CB 4.33Å; R66-E132 HydrophobicContact CG-CG 4.22Å; L70-E132 HydrophobicContact CD1-CB 3.61Å; S130-E132 WeakPolarHBondContact CB-OE2 3.39Å; S130-E132 PolarHBondContact O-N 3.35Å; E132-R134 VanDerWaalsContact C-N 3.33Å; E132-R134 PolarHBondContact O-N 3.27Å; E132-L135 PolarHBondContact O-N 3.4Å; E132-V136 WeakPolarHBondContact O-CB 3.41Å; E132-V136 VanDerWaalsContact O-CG2 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.44Å; E132-V136 PolarHBondContact O-N 3.16Å
133A98.8Very high98.6Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-62.2-38.9176.500000112.6L70 E124 Q128 S130 K137L70-A133 HydrophobicContact CD1-CB 4.41Å; E124-A133 HydrophobicContact CG-CB 4.25Å; E124-A133 WeakPolarHBondContact O-CB 3.07Å; Q128-A133 PolarHBondContact NE2-O 3.25Å; Q128-A133 PolarHBondContact OE1-O 3.47Å; S130-A133 PolarHBondContact O-N 2.67Å; S130-A133 VanDerWaalsContact OG-CB 3.23Å; S130-A133 WeakPolarHBondContact OG-CB 3.39Å; S130-A133 PolarHBondContact OG-N 2.89Å; A133-K137 WeakPolarHBondContact O-CB 3.47Å; A133-K137 PolarHBondContact O-N 2.95Å
134R98.6Very high98.6Very high111 Ų11130.4 Ų30.442%0.41916%0.16SC..Hα-helixtrans-71.4-29.4176.7-69-174.5-63.9-86.83.8113.2Q128 S129 S130 P131 E132 Q138Q128-R134 HydrophobicContact CB-CG 4.2Å; Q128-R134 WeakPolarHBondContact O-CG 3.34Å; Q128-R134 PolarHBondContact O-NH1 3.35Å; S129-R134 VanDerWaalsContact C-NH1 3.3Å; S129-R134 PolarHBondContact O-NH1 2.94Å; S130-R134 VanDerWaalsContact C-CZ 3.47Å; S130-R134 WeakPolarHBondContact O-CG 3.49Å; S130-R134 PolarHBondContact O-N 3.45Å; S130-R134 PolarHBondContact O-NH1 2.86Å; S130-R134 VanDerWaalsContact O-NH1 3.13Å; P131-R134 PolarHBondContact O-N 2.91Å; E132-R134 VanDerWaalsContact C-N 3.33Å; E132-R134 PolarHBondContact O-N 3.27Å; R134-Q138 WeakPolarHBondContact O-CG 3.43Å; R134-Q138 PolarHBondContact O-N 2.94Å; R134-Q138 PolarHBondContact O-NE2 2.92Å
135L98.6Very high98.6Very high3 Ų329.1 Ų29.12%0.01615%0.154CC..Hα-helixtrans-73.6-49.5171.7169.761.7000111I57 V62 P131 E132 K137 Q138 F139 H174 V177I57-L135 HydrophobicContact CD1-CD1 3.89Å; I57-L135 HydrophobicContact CD1-CD2 3.29Å; I57-L135 HydrophobicContact CD1-CG 4.17Å; V62-L135 HydrophobicContact CB-CD2 4.3Å; V62-L135 HydrophobicContact CG1-CD2 4.16Å; V62-L135 HydrophobicContact CG2-CD2 3.83Å; P131-L135 WeakPolarHBondContact O-CB 3.31Å; P131-L135 PolarHBondContact O-N 3.43Å; E132-L135 PolarHBondContact O-N 3.4Å; L135-K137 PolarHBondContact O-N 3.39Å; L135-Q138 CarbonylContact O-C 3.45Å; L135-Q138 WeakPolarHBondContact O-CA 3.45Å; L135-Q138 WeakPolarHBondContact O-CB 3.42Å; L135-Q138 PolarHBondContact O-N 3.11Å; L135-F139 HydrophobicContact CD1-CD1 4.49Å; L135-F139 HydrophobicContact CD1-CD2 4.45Å; L135-F139 HydrophobicContact CD1-CE1 3.99Å; L135-F139 HydrophobicContact CD1-CE2 3.92Å; L135-F139 HydrophobicContact CD1-CZ 3.69Å; L135-F139 HydrophobicContact CD2-CE2 4.17Å; L135-F139 HydrophobicContact CD2-CZ 4.42Å; L135-F139 HydrophobicContact CG-CD2 4.28Å; L135-F139 HydrophobicContact CG-CE2 3.8Å; L135-F139 HydrophobicContact CG-CZ 4.08Å; L135-F139 PolarHBondContact O-N 3.49Å; L135-H174 HydrophobicContact CD1-CB 4.38Å; L135-V177 HydrophobicContact CD1-CG2 4.13Å
136V98.8Very high98.6Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-62.6-31.5178.9176.80000111.2M50 C67 L70 A71 Y125 E132 Q138 F139 D140M50-V136 HydrophobicContact CE-CG1 3.52Å; M50-V136 WeakPolarHBondContact CE-O 3.48Å; C67-V136 HydrophobicContact CB-CG2 3.79Å; C67-V136 WeakPolarHBondContact O-CG2 3.47Å; L70-V136 HydrophobicContact CB-CB 4.42Å; L70-V136 HydrophobicContact CB-CG1 4.26Å; L70-V136 HydrophobicContact CB-CG2 4.1Å; L70-V136 HydrophobicContact CD1-CG2 4.39Å; A71-V136 HydrophobicContact CB-CG1 4.02Å; Y125-V136 HydrophobicContact CD2-CG1 4.18Å; Y125-V136 HydrophobicContact CE2-CB 4.42Å; Y125-V136 HydrophobicContact CE2-CG1 3.92Å; E132-V136 WeakPolarHBondContact O-CB 3.41Å; E132-V136 VanDerWaalsContact O-CG2 3.29Å; E132-V136 WeakPolarHBondContact O-CG2 3.44Å; E132-V136 PolarHBondContact O-N 3.16Å; V136-Q138 VanDerWaalsContact C-N 3.3Å; V136-Q138 PolarHBondContact O-N 3.32Å; V136-F139 PolarHBondContact O-N 2.65Å; V136-F139 VanDerWaalsContact O-N 3.15Å; V136-D140 PolarHBondContact O-N 3.21Å
137K98.8Very high98.6Very high61 Ų6129.8 Ų29.827%0.26516%0.159SC..Hα-helixtrans-67.2-29.3171-168.355.5171.8175.20113.9Y125 A133 L135 D140 L141Y125-K137 HydrophobicContact CE1-CD 4.26Å; Y125-K137 HydrophobicContact CE2-CB 4.29Å; Y125-K137 HydrophobicContact CE2-CD 4.17Å; Y125-K137 WeakPolarHBondContact OH-CD 3.36Å; Y125-K137 PolarHBondContact OH-NZ 2.94Å; A133-K137 WeakPolarHBondContact O-CB 3.47Å; A133-K137 PolarHBondContact O-N 2.95Å; L135-K137 PolarHBondContact O-N 3.39Å; K137-D140 WeakPolarHBondContact CD-OD2 3.23Å; K137-D140 WeakPolarHBondContact CE-OD2 3.29Å; K137-D140 IonicContact NZ-OD2 2.7Å; K137-D140 PolarHBondContact NZ-OD2 2.87Å; K137-L141 WeakPolarHBondContact O-CG 3.22Å; K137-L141 PolarHBondContact O-N 2.97Å
138Q98.7Very high98.7Very high19 Ų1926.5 Ų26.59%0.08914%0.136CC..Hα-helixtrans-75.9-30.5170.9-71.617085.200111.6R134 L135 V136 L142 F172 V177R134-Q138 WeakPolarHBondContact O-CG 3.43Å; R134-Q138 PolarHBondContact O-N 2.94Å; R134-Q138 PolarHBondContact O-NE2 2.92Å; L135-Q138 CarbonylContact O-C 3.45Å; L135-Q138 WeakPolarHBondContact O-CA 3.45Å; L135-Q138 WeakPolarHBondContact O-CB 3.42Å; L135-Q138 PolarHBondContact O-N 3.11Å; V136-Q138 VanDerWaalsContact C-N 3.3Å; V136-Q138 PolarHBondContact O-N 3.32Å; Q138-L142 VanDerWaalsContact O-CB 3.31Å; Q138-L142 WeakPolarHBondContact O-CB 3.31Å; Q138-L142 PolarHBondContact O-N 2.95Å; Q138-F172 HydrophobicContact CB-CD1 4.27Å; Q138-F172 HydrophobicContact CG-CD1 4.4Å; Q138-V177 HydrophobicContact CB-CG1 4.25Å; Q138-V177 HydrophobicContact CB-CG2 4.33Å
139F98.8Very high98.7Very high8 Ų824.5 Ų24.54%0.03513%0.126CC..Hα-helixtrans-66.9-42.6170.7-67.7-31000112.6M50 M53 I57 L135 V136 L141 L142 E143 V177M50-F139 HydrophobicContact CE-CB 4.45Å; M53-F139 HydrophobicContact CB-CD1 4.28Å; M53-F139 HydrophobicContact CB-CD2 4.39Å; M53-F139 HydrophobicContact CB-CE1 4.43Å; M53-F139 HydrophobicContact CB-CG 4.24Å; M53-F139 HydrophobicContact CE-CB 4.01Å; M53-F139 HydrophobicContact CE-CD1 3.76Å; M53-F139 HydrophobicContact CE-CG 4.16Å; I57-F139 HydrophobicContact CB-CZ 4.36Å; I57-F139 HydrophobicContact CD1-CZ 4.04Å; I57-F139 HydrophobicContact CG1-CZ 4.45Å; L135-F139 HydrophobicContact CD1-CD1 4.49Å; L135-F139 HydrophobicContact CD1-CD2 4.45Å; L135-F139 HydrophobicContact CD1-CE1 3.99Å; L135-F139 HydrophobicContact CD1-CE2 3.92Å; L135-F139 HydrophobicContact CD1-CZ 3.69Å; L135-F139 HydrophobicContact CD2-CE2 4.17Å; L135-F139 HydrophobicContact CD2-CZ 4.42Å; L135-F139 HydrophobicContact CG-CD2 4.28Å; L135-F139 HydrophobicContact CG-CE2 3.8Å; L135-F139 HydrophobicContact CG-CZ 4.08Å; L135-F139 PolarHBondContact O-N 3.49Å; V136-F139 PolarHBondContact O-N 2.65Å; V136-F139 VanDerWaalsContact O-N 3.15Å; F139-L141 VanDerWaalsContact C-N 3.31Å; F139-L141 PolarHBondContact O-N 3.44Å; F139-L142 PolarHBondContact O-N 3.14Å; F139-E143 WeakPolarHBondContact O-CB 3.16Å; F139-E143 PolarHBondContact O-N 3.46Å; F139-V177 HydrophobicContact CD1-CG2 4.11Å; F139-V177 HydrophobicContact CE1-CG2 3.83Å
140D98.8Very high98.7Very high13 Ų1324.2 Ų24.27%0.0712%0.116CC..Hα-helixtrans-51.3-50.3171.4157.940.5000111.5R29 H46 M50 Y125 V136 K137 M144R29-D140 IonicContact NH2-OD1 3.76Å; R29-D140 PolarHBondContact NH2-OD1 3.29Å; H46-D140 IonicContact CE1-OD1 3.67Å; H46-D140 PolarHBondContact CE1-OD1 3.09Å; H46-D140 IonicContact NE2-OD1 2.72Å; H46-D140 PolarHBondContact NE2-OD1 3.36Å; M50-D140 HydrophobicContact CE-CB 3.71Å; M50-D140 VanDerWaalsContact SD-CA 3.57Å; M50-D140 HydrophobicContact SD-CB 3.82Å; Y125-D140 PolarHBondContact OH-OD2 3.41Å; V136-D140 PolarHBondContact O-N 3.21Å; K137-D140 WeakPolarHBondContact CD-OD2 3.23Å; K137-D140 WeakPolarHBondContact CE-OD2 3.29Å; K137-D140 IonicContact NZ-OD2 2.7Å; K137-D140 PolarHBondContact NZ-OD2 2.87Å; D140-M144 WeakPolarHBondContact O-CB 3.46Å; D140-M144 PolarHBondContact O-N 3.03Å
141L98.8Very high98.7Very high8 Ų824.3 Ų24.34%0.04211%0.114CC..Hα-helixtrans-68-38.3179.1-62.6175000114.1K137 F139 M144 I145 T168 R171 F172K137-L141 WeakPolarHBondContact O-CG 3.22Å; K137-L141 PolarHBondContact O-N 2.97Å; F139-L141 VanDerWaalsContact C-N 3.31Å; F139-L141 PolarHBondContact O-N 3.44Å; L141-M144 HydrophobicContact CD2-CE 4.41Å; L141-I145 WeakPolarHBondContact O-CG1 3.41Å; L141-I145 PolarHBondContact O-N 3Å; L141-T168 HydrophobicContact CB-CG2 4.08Å; L141-T168 HydrophobicContact CD2-CG2 4.39Å; L141-R171 HydrophobicContact CD1-CB 3.79Å; L141-F172 HydrophobicContact CB-CE1 3.72Å; L141-F172 HydrophobicContact CB-CZ 3.91Å
142L98.8Very high98.7Very high0 Ų021.4 Ų21.40%010%0.095CC..Hα-helixtrans-69.5-44.8177.9169.858.8000110.7M53 Q138 F139 M144 I145 M146 F172 V177 L180 V181 L184M53-L142 HydrophobicContact CE-CB 3.97Å; M53-L142 HydrophobicContact CE-CD2 3.58Å; M53-L142 HydrophobicContact CE-CG 3.67Å; Q138-L142 VanDerWaalsContact O-CB 3.31Å; Q138-L142 WeakPolarHBondContact O-CB 3.31Å; Q138-L142 PolarHBondContact O-N 2.95Å; F139-L142 PolarHBondContact O-N 3.14Å; L142-M144 VanDerWaalsContact C-N 3.32Å; L142-M144 PolarHBondContact O-N 2.75Å; L142-I145 HydrophobicContact CD1-CD1 4.37Å; L142-I145 HydrophobicContact CD1-CG1 4.29Å; L142-I145 WeakPolarHBondContact O-CG1 3.23Å; L142-I145 PolarHBondContact O-N 2.85Å; L142-M146 HydrophobicContact CD1-CG 3.97Å; L142-M146 HydrophobicContact CD1-SD 4Å; L142-M146 HydrophobicContact CG-CG 4.39Å; L142-M146 HydrophobicContact CG-SD 3.93Å; L142-M146 VanDerWaalsContact O-CG 3.31Å; L142-M146 WeakPolarHBondContact O-CG 3.41Å; L142-M146 PolarHBondContact O-N 3.42Å; L142-F172 HydrophobicContact CB-CE1 4Å; L142-F172 HydrophobicContact CB-CZ 4.37Å; L142-V177 HydrophobicContact CB-CG1 4.37Å; L142-V177 HydrophobicContact CD2-CG1 4.09Å; L142-L180 HydrophobicContact CD1-CB 4.48Å; L142-L180 HydrophobicContact CD2-CB 3.76Å; L142-L180 HydrophobicContact CD2-CD1 3.76Å; L142-L180 HydrophobicContact CD2-CG 4.42Å; L142-V181 HydrophobicContact CD1-CG2 3.84Å; L142-L184 HydrophobicContact CD1-CD2 4.29Å
143E98.8Very high98.6Very high0 Ų025.1 Ų25.10%011%0.112CC..Hα-helixtrans-58.7-46.3178.6-161.8-75.6166.300110.1H46 R49 M50 M53 F139 I145 M146 Q147H46-E143 IonicContact CE1-OE2 3.86Å; H46-E143 PolarHBondContact CE1-OE2 3.18Å; H46-E143 IonicContact CG-OE2 3.11Å; H46-E143 IonicContact ND1-OE2 2.64Å; H46-E143 PolarHBondContact ND1-OE2 3.33Å; R49-E143 HydrophobicContact CB-CG 4Å; R49-E143 HydrophobicContact CG-CG 3.95Å; R49-E143 IonicContact CZ-OE1 3.12Å; R49-E143 IonicContact NE-OE1 3.43Å; R49-E143 PolarHBondContact NE-OE1 3.36Å; R49-E143 IonicContact NH2-OE1 2.75Å; R49-E143 PolarHBondContact NH2-OE1 3.31Å; M50-E143 HydrophobicContact CG-CB 4.03Å; M50-E143 HydrophobicContact CG-CG 4Å; M53-E143 HydrophobicContact CE-CB 4.2Å; M53-E143 HydrophobicContact SD-CB 3.77Å; M53-E143 HydrophobicContact SD-CG 3.81Å; F139-E143 WeakPolarHBondContact O-CB 3.16Å; F139-E143 PolarHBondContact O-N 3.46Å; E143-I145 PolarHBondContact O-N 3.35Å; E143-M146 WeakPolarHBondContact O-CB 3.48Å; E143-M146 PolarHBondContact O-N 3.23Å; E143-Q147 WeakPolarHBondContact O-CB 3.35Å; E143-Q147 PolarHBondContact O-N 3.24Å
144M98.7Very high98.5Very high23 Ų2331.8 Ų31.811%0.11315%0.148CC..Hα-helixtrans-56.3-45.3175.3-177.2-172.773.600112.8W32 D140 L141 L142 Q147 A148 F164 T168W32-M144 HydrophobicContact CH2-CG 3.9Å; W32-M144 VanDerWaalsContact CH2-O 3.25Å; W32-M144 WeakPolarHBondContact CH2-O 3.32Å; W32-M144 HydrophobicContact CZ2-CG 3.94Å; D140-M144 WeakPolarHBondContact O-CB 3.46Å; D140-M144 PolarHBondContact O-N 3.03Å; L141-M144 HydrophobicContact CD2-CE 4.41Å; L142-M144 VanDerWaalsContact C-N 3.32Å; L142-M144 PolarHBondContact O-N 2.75Å; M144-Q147 PolarHBondContact O-N 2.99Å; M144-A148 PolarHBondContact O-N 3.41Å; M144-F164 HydrophobicContact CE-CB 4.4Å; M144-F164 HydrophobicContact CE-CD1 4.25Å; M144-F164 HydrophobicContact CG-CD1 3.9Å; M144-F164 HydrophobicContact SD-CD1 3.82Å; M144-F164 HydrophobicContact SD-CE1 4.47Å; M144-T168 HydrophobicContact CE-CG2 3.83Å
145I98.8Very high98.3Very high1 Ų129.2 Ų29.21%0.00514%0.14CC..Hα-helixtrans-77.2-26.1179.662.6171.3000113.2L141 L142 E143 H149 F164 F165 T168 F172 V181 L184L141-I145 WeakPolarHBondContact O-CG1 3.41Å; L141-I145 PolarHBondContact O-N 3Å; L142-I145 HydrophobicContact CD1-CD1 4.37Å; L142-I145 HydrophobicContact CD1-CG1 4.29Å; L142-I145 WeakPolarHBondContact O-CG1 3.23Å; L142-I145 PolarHBondContact O-N 2.85Å; E143-I145 PolarHBondContact O-N 3.35Å; I145-H149 PolarHBondContact O-N 3.1Å; I145-H149 VanDerWaalsContact O-N 3.11Å; I145-F164 HydrophobicContact CG2-CB 4.49Å; I145-F165 HydrophobicContact CB-CD1 4.15Å; I145-F165 HydrophobicContact CB-CD2 4.47Å; I145-F165 HydrophobicContact CB-CE1 3.91Å; I145-F165 HydrophobicContact CB-CE2 4.24Å; I145-F165 HydrophobicContact CB-CG 4.42Å; I145-F165 HydrophobicContact CB-CZ 3.93Å; I145-F165 HydrophobicContact CD1-CD1 4.34Å; I145-F165 HydrophobicContact CD1-CE1 4.26Å; I145-F165 HydrophobicContact CG1-CE1 4.45Å; I145-F165 HydrophobicContact CG2-CD1 4.39Å; I145-F165 HydrophobicContact CG2-CD2 4.48Å; I145-F165 HydrophobicContact CG2-CG 4.31Å; I145-F165 WeakPolarHBondContact O-CZ 3.38Å; I145-T168 HydrophobicContact CG2-CG2 3.59Å; I145-F172 HydrophobicContact CD1-CE2 3.93Å; I145-F172 HydrophobicContact CD1-CZ 3.85Å; I145-V181 HydrophobicContact CD1-CG2 4.39Å; I145-L184 HydrophobicContact CB-CD2 4.3Å; I145-L184 HydrophobicContact CD1-CD2 3.85Å; I145-L184 HydrophobicContact CG1-CD2 3.67Å
146M98.8Very high98.2Very high55 Ų5531.3 Ų31.327%0.27116%0.162SC..Hα-helixtrans-63.3-47.6167.1-70.7174.664.200109.9M53 L142 E143 A148 H149 E150 L184M53-M146 HydrophobicContact CE-SD 4.47Å; L142-M146 HydrophobicContact CD1-CG 3.97Å; L142-M146 HydrophobicContact CD1-SD 4Å; L142-M146 HydrophobicContact CG-CG 4.39Å; L142-M146 HydrophobicContact CG-SD 3.93Å; L142-M146 VanDerWaalsContact O-CG 3.31Å; L142-M146 WeakPolarHBondContact O-CG 3.41Å; L142-M146 PolarHBondContact O-N 3.42Å; E143-M146 WeakPolarHBondContact O-CB 3.48Å; E143-M146 PolarHBondContact O-N 3.23Å; M146-A148 VanDerWaalsContact C-N 3.34Å; M146-A148 PolarHBondContact O-N 3.17Å; M146-H149 WeakPolarHBondContact O-CB 3.43Å; M146-H149 PolarHBondContact O-N 3.15Å; M146-H149 VanDerWaalsContact O-N 3.12Å; M146-E150 WeakPolarHBondContact O-CG 3.47Å; M146-E150 PolarHBondContact O-N 3.48Å; M146-L184 HydrophobicContact CG-CD1 4.13Å; M146-L184 HydrophobicContact CG-CD2 3.82Å
147Q98.9Very high98Very high16 Ų1633.6 Ų33.68%0.07518%0.177CC..Hα-helixtrans-63.9-37.8178.4-170.452.884.400112.6W32 E143 M144 E150 Y151W32-Q147 HydrophobicContact CH2-CB 4.48Å; W32-Q147 HydrophobicContact CZ2-CB 3.83Å; W32-Q147 HydrophobicContact CZ2-CG 3.85Å; E143-Q147 WeakPolarHBondContact O-CB 3.35Å; E143-Q147 PolarHBondContact O-N 3.24Å; M144-Q147 PolarHBondContact O-N 2.99Å; Q147-E150 PolarHBondContact NE2-OE2 3.43Å; Q147-E150 PolarHBondContact O-N 3.47Å; Q147-E150 PolarHBondContact OE1-OE2 2.99Å; Q147-Y151 HydrophobicContact CG-CD2 3.88Å; Q147-Y151 HydrophobicContact CG-CE2 3.41Å; Q147-Y151 VanDerWaalsContact CG-CE2 3.41Å; Q147-Y151 VanDerWaalsContact O-CD2 3.29Å; Q147-Y151 WeakPolarHBondContact O-CD2 3.32Å; Q147-Y151 PolarHBondContact O-N 2.97Å
148A98.7Very high97.8Very high0 Ų033.1 Ų33.10%018%0.18CC..Hα-helixtrans-58.7-45.4171.400000111.7W32 M144 M146 Y151 E152 L161 F164 F165W32-A148 HydrophobicContact CH2-CB 3.82Å; W32-A148 HydrophobicContact CZ3-CB 3.99Å; M144-A148 PolarHBondContact O-N 3.41Å; M146-A148 VanDerWaalsContact C-N 3.34Å; M146-A148 PolarHBondContact O-N 3.17Å; A148-Y151 PolarHBondContact O-N 2.84Å; A148-E152 WeakPolarHBondContact O-CG 3.17Å; A148-E152 PolarHBondContact O-N 2.94Å; A148-L161 HydrophobicContact CB-CB 4.01Å; A148-L161 HydrophobicContact CB-CD1 4.28Å; A148-F164 HydrophobicContact CB-CB 4.12Å; A148-F164 HydrophobicContact CB-CG 4.45Å; A148-F165 HydrophobicContact CB-CD2 4.47Å; A148-F165 HydrophobicContact CB-CE2 3.86Å
149H98.4Very high97.7Very high11 Ų1134 Ų345%0.05119%0.194CC..Hα-helixtrans-62.7-45.6176.8-174.110.2000112I145 M146 Y151 E152 E153 F165 L184 R188I145-H149 PolarHBondContact O-N 3.1Å; I145-H149 VanDerWaalsContact O-N 3.11Å; M146-H149 WeakPolarHBondContact O-CB 3.43Å; M146-H149 PolarHBondContact O-N 3.15Å; M146-H149 VanDerWaalsContact O-N 3.12Å; H149-Y151 VanDerWaalsContact C-N 3.33Å; H149-Y151 PolarHBondContact O-N 3.44Å; H149-E152 WeakPolarHBondContact O-CB 3.29Å; H149-E152 PolarHBondContact O-N 3.13Å; H149-E153 VanDerWaalsContact CE1-CG 3.46Å; H149-E153 WeakPolarHBondContact CE1-CG 3.31Å; H149-E153 IonicContact CE1-OE1 3.27Å; H149-E153 PolarHBondContact CE1-OE1 3.31Å; H149-E153 VanDerWaalsContact CE1-OE1 3.27Å; H149-E153 IonicContact NE2-OE1 3.6Å; H149-E153 PolarHBondContact O-N 2.95Å; H149-F165 HydrophobicContact CB-CZ 4.25Å; H149-L184 HydrophobicContact CB-CD1 4.15Å; H149-R188 WeakPolarHBondContact NE2-CA 3.41Å; H149-R188 PolarHBondContact NE2-N 2.64Å
150E98.6Very high97.6Very high72 Ų7237.9 Ų37.934%0.33621%0.208SC..Hα-helixtrans-60.9-40.4179.4-70.6169.3174.700112R49 M146 Q147 E153 L154R49-E150 IonicContact CZ-OE2 3.27Å; R49-E150 IonicContact NH1-OE1 2.81Å; R49-E150 PolarHBondContact NH1-OE1 2.84Å; R49-E150 IonicContact NH1-OE2 3.81Å; R49-E150 PolarHBondContact NH1-OE2 3.21Å; R49-E150 IonicContact NH2-OE2 3.81Å; M146-E150 WeakPolarHBondContact O-CG 3.47Å; M146-E150 PolarHBondContact O-N 3.48Å; Q147-E150 PolarHBondContact NE2-OE2 3.43Å; Q147-E150 PolarHBondContact O-N 3.47Å; Q147-E150 PolarHBondContact OE1-OE2 2.99Å; E150-E153 PolarHBondContact O-N 2.95Å; E150-L154 WeakPolarHBondContact O-CB 3.47Å; E150-L154 VanDerWaalsContact O-CG 3.25Å; E150-L154 WeakPolarHBondContact O-CG 3.18Å; E150-L154 PolarHBondContact O-N 2.97Å
151Y98.6Very high97.6Very high18 Ų1837.2 Ų37.27%0.07121%0.205CC..Hα-helixtrans-66.8-39.4174.1-73-44000112.8W32 V37 P40 E41 Q147 A148 H149 E153 L154 E155W32-Y151 HydrophobicContact CB-CE2 4.4Å; W32-Y151 AromaticContact CD1-CE2 3.78Å; W32-Y151 HydrophobicContact CD2-CD2 4.08Å; W32-Y151 AromaticContact CD2-CE2 3.8Å; W32-Y151 HydrophobicContact CD2-CE2 3.8Å; W32-Y151 AromaticContact CE2-CE2 3.96Å; W32-Y151 HydrophobicContact CE3-CD2 4.18Å; W32-Y151 HydrophobicContact CE3-CE2 4.37Å; W32-Y151 HydrophobicContact CG-CD2 4.41Å; W32-Y151 AromaticContact CG-CE2 3.77Å; W32-Y151 HydrophobicContact CG-CE2 3.77Å; W32-Y151 AromaticContact NE1-CE2 3.91Å; V37-Y151 HydrophobicContact CG1-CD1 3.51Å; V37-Y151 HydrophobicContact CG1-CD2 3.74Å; V37-Y151 HydrophobicContact CG1-CE1 3.59Å; V37-Y151 HydrophobicContact CG1-CE2 3.78Å; V37-Y151 HydrophobicContact CG1-CG 3.62Å; V37-Y151 HydrophobicContact CG2-CD2 4.18Å; V37-Y151 HydrophobicContact CG2-CG 4.41Å; P40-Y151 WeakPolarHBondContact CA-OH 3.18Å; E41-Y151 PolarHBondContact N-OH 3.16Å; Q147-Y151 HydrophobicContact CG-CD2 3.88Å; Q147-Y151 HydrophobicContact CG-CE2 3.41Å; Q147-Y151 VanDerWaalsContact CG-CE2 3.41Å; Q147-Y151 VanDerWaalsContact O-CD2 3.29Å; Q147-Y151 WeakPolarHBondContact O-CD2 3.32Å; Q147-Y151 PolarHBondContact O-N 2.97Å; A148-Y151 PolarHBondContact O-N 2.84Å; H149-Y151 VanDerWaalsContact C-N 3.33Å; H149-Y151 PolarHBondContact O-N 3.44Å; Y151-E153 VanDerWaalsContact C-N 3.28Å; Y151-E153 PolarHBondContact O-N 2.65Å; Y151-L154 HydrophobicContact CD1-CD1 4.37Å; Y151-L154 PolarHBondContact O-N 2.92Å; Y151-E155 WeakPolarHBondContact O-CB 3.48Å; Y151-E155 WeakPolarHBondContact O-CG 3.5Å; Y151-E155 PolarHBondContact O-N 3.36Å
152E97.5Very high97.5Very high3 Ų340.3 Ų40.31%0.01422%0.219CC..Hα-helixtrans-60.5-37.1173-72.4-177.9173.100112.5A148 H149 G156 T157 G159 R160 L161 R188A148-E152 WeakPolarHBondContact O-CG 3.17Å; A148-E152 PolarHBondContact O-N 2.94Å; H149-E152 WeakPolarHBondContact O-CB 3.29Å; H149-E152 PolarHBondContact O-N 3.13Å; E152-G156 CarbonylContact O-C 3.57Å; E152-G156 PolarHBondContact O-N 2.87Å; E152-G156 VanDerWaalsContact O-N 3.1Å; E152-T157 WeakPolarHBondContact CG-O 3.34Å; E152-T157 PolarHBondContact O-N 3.02Å; E152-G159 VanDerWaalsContact OE1-CA 3.31Å; E152-G159 WeakPolarHBondContact OE1-CA 3.4Å; E152-G159 PolarHBondContact OE1-N 3.17Å; E152-G159 PolarHBondContact OE2-N 3.49Å; E152-R160 HydrophobicContact CG-CB 4.39Å; E152-R160 PolarHBondContact OE1-N 3.28Å; E152-R160 VanDerWaalsContact OE1-N 3.07Å; E152-L161 HydrophobicContact CG-CB 4.16Å; E152-L161 HydrophobicContact CG-CD1 4.36Å; E152-L161 HydrophobicContact CG-CG 4.18Å; E152-L161 WeakPolarHBondContact OE1-CA 3.32Å; E152-L161 PolarHBondContact OE1-N 2.91Å; E152-R188 IonicContact OE1-CZ 3.37Å; E152-R188 IonicContact OE1-NE 2.86Å; E152-R188 IonicContact OE1-NH2 2.74Å; E152-R188 PolarHBondContact OE1-NH2 3.05Å; E152-R188 IonicContact OE2-CZ 3.1Å; E152-R188 IonicContact OE2-NE 3.59Å; E152-R188 PolarHBondContact OE2-NE 3.1Å; E152-R188 IonicContact OE2-NH2 3.73Å; E152-R188 PolarHBondContact OE2-NH2 2.77Å
153E96.7Very high97.5Very high105 Ų10545.6 Ų45.649%0.49124%0.244SC..Hα-helixtrans-73.8-44.8176.5-67-160.1138.400112.5H149 E150 Y151 E155 G156 S191H149-E153 VanDerWaalsContact CE1-CG 3.46Å; H149-E153 WeakPolarHBondContact CE1-CG 3.31Å; H149-E153 IonicContact CE1-OE1 3.27Å; H149-E153 PolarHBondContact CE1-OE1 3.31Å; H149-E153 VanDerWaalsContact CE1-OE1 3.27Å; H149-E153 IonicContact NE2-OE1 3.6Å; H149-E153 PolarHBondContact O-N 2.95Å; E150-E153 PolarHBondContact O-N 2.95Å; Y151-E153 VanDerWaalsContact C-N 3.28Å; Y151-E153 PolarHBondContact O-N 2.65Å; E153-E155 VanDerWaalsContact C-N 3.3Å; E153-E155 PolarHBondContact O-N 2.94Å; E153-G156 PolarHBondContact O-N 3.1Å; E153-S191 WeakPolarHBondContact OE1-CB 3.5Å; E153-S191 PolarHBondContact OE1-OG 3.21Å
154L96.9Very high97.4Very high141 Ų14146.6 Ų46.674%0.73825%0.248SC*.Hα-helixtrans-62.6-34.3178-73.7170.1000113E150 Y151E150-L154 WeakPolarHBondContact O-CB 3.47Å; E150-L154 VanDerWaalsContact O-CG 3.25Å; E150-L154 WeakPolarHBondContact O-CG 3.18Å; E150-L154 PolarHBondContact O-N 2.97Å; Y151-L154 HydrophobicContact CD1-CD1 4.37Å; Y151-L154 PolarHBondContact O-N 2.92Å
155E95.9Very high97.4Very high57 Ų5746 Ų4627%0.26625%0.245SC..Hα-helixtrans-91.3-9.2178.3-64-17515700113.2K38 Y151 E153 T157 R160K38-E155 PolarHBondContact N-OE1 2.69Å; K38-E155 VanDerWaalsContact N-OE1 3.17Å; Y151-E155 WeakPolarHBondContact O-CB 3.48Å; Y151-E155 WeakPolarHBondContact O-CG 3.5Å; Y151-E155 PolarHBondContact O-N 3.36Å; E153-E155 VanDerWaalsContact C-N 3.3Å; E153-E155 PolarHBondContact O-N 2.94Å; E155-T157 VanDerWaalsContact C-N 3.33Å; E155-T157 HydrophobicContact CB-CG2 4.4Å; E155-R160 IonicContact OE1-NH2 3.8Å; E155-R160 IonicContact OE2-CZ 3.26Å; E155-R160 VanDerWaalsContact OE2-CZ 3.26Å; E155-R160 IonicContact OE2-NE 3.05Å; E155-R160 PolarHBondContact OE2-NE 3.41Å; E155-R160 IonicContact OE2-NH2 2.68Å; E155-R160 PolarHBondContact OE2-NH2 3.48Å
156G95.3Very high97.4Very high46 Ų4650.7 Ų50.747%0.47427%0.27SS..THydrogen-bonded Turntrans69.628-177.300000113.7E152 E153 P158E152-G156 CarbonylContact O-C 3.57Å; E152-G156 PolarHBondContact O-N 2.87Å; E152-G156 VanDerWaalsContact O-N 3.1Å; E153-G156 PolarHBondContact O-N 3.1Å; G156-P158 VanDerWaalsContact C-CD 3.46Å; G156-P158 WeakPolarHBondContact O-CD 3.29Å
157T95.1Very high97.3Very high49 Ų4950.7 Ų50.730%0.30128%0.275SS..  trans-122.665.7-173.159.30000112.2E152 E155 G159 R160E152-T157 WeakPolarHBondContact CG-O 3.34Å; E152-T157 PolarHBondContact O-N 3.02Å; E155-T157 VanDerWaalsContact C-N 3.33Å; E155-T157 HydrophobicContact CB-CG2 4.4Å; T157-G159 PolarHBondContact O-N 3.2Å; T157-R160 WeakPolarHBondContact O-CB 3.16Å; T157-R160 PolarHBondContact O-N 2.95Å; T157-R160 VanDerWaalsContact O-N 3.15Å; T157-R160 WeakPolarHBondContact OG1-CD 3.45Å; T157-R160 PolarHBondContact OG1-NE 3.41Å
158P95.2Very high97.2Very high51 Ų5150.3 Ų50.333%0.33127%0.274SS..THydrogen-bonded Turntrans-60.8132.3-178.726.5-35.1000111.6G156 A192 L195G156-P158 VanDerWaalsContact C-CD 3.46Å; G156-P158 WeakPolarHBondContact O-CD 3.29Å; P158-A192 HydrophobicContact CB-CB 4.05Å; P158-L195 HydrophobicContact CG-CB 4.38Å; P158-L195 HydrophobicContact CG-CD2 3.48Å; P158-L195 VanDerWaalsContact CG-CD2 3.48Å
159G95Very high97.1Very high38 Ų3854 Ų5439%0.39231%0.305SS..THydrogen-bonded Turntrans88.4-8.3-176.200000115.6E152 T157 L161 Q162E152-G159 VanDerWaalsContact OE1-CA 3.31Å; E152-G159 WeakPolarHBondContact OE1-CA 3.4Å; E152-G159 PolarHBondContact OE1-N 3.17Å; E152-G159 PolarHBondContact OE2-N 3.49Å; T157-G159 PolarHBondContact O-N 3.2Å; G159-L161 VanDerWaalsContact C-N 3.29Å; G159-L161 PolarHBondContact O-N 2.91Å; G159-Q162 WeakPolarHBondContact O-CB 3.43Å; G159-Q162 PolarHBondContact O-N 3.41Å
160R97.4Very high97Very high88 Ų8856.9 Ų56.933%0.33234%0.337SS..THydrogen-bonded Turntrans-60.9-34-176-172.5175.486.777-14.9113.7N35 E152 E155 T157N35-R160 PolarHBondContact O-NH1 3.03Å; N35-R160 PolarHBondContact O-NH2 2.77Å; N35-R160 VanDerWaalsContact O-NH2 3.14Å; E152-R160 HydrophobicContact CG-CB 4.39Å; E152-R160 PolarHBondContact OE1-N 3.28Å; E152-R160 VanDerWaalsContact OE1-N 3.07Å; E155-R160 IonicContact OE1-NH2 3.8Å; E155-R160 IonicContact OE2-CZ 3.26Å; E155-R160 VanDerWaalsContact OE2-CZ 3.26Å; E155-R160 IonicContact OE2-NE 3.05Å; E155-R160 PolarHBondContact OE2-NE 3.41Å; E155-R160 IonicContact OE2-NH2 2.68Å; E155-R160 PolarHBondContact OE2-NH2 3.48Å; T157-R160 WeakPolarHBondContact O-CB 3.16Å; T157-R160 PolarHBondContact O-N 2.95Å; T157-R160 VanDerWaalsContact O-N 3.15Å; T157-R160 WeakPolarHBondContact OG1-CD 3.45Å; T157-R160 PolarHBondContact OG1-NE 3.41Å
161L97.8Very high96.9Very high0 Ų058.6 Ų58.60%034%0.341CS..THydrogen-bonded Turntrans-107.431.5-174.4-59.4178.3000111.3W32 N35 V37 A148 E152 G159 E163 F164W32-L161 HydrophobicContact CE3-CD1 4.4Å; W32-L161 HydrophobicContact CZ3-CD1 4.18Å; N35-L161 HydrophobicContact CB-CD2 3.77Å; V37-L161 HydrophobicContact CG2-CD1 4.36Å; A148-L161 HydrophobicContact CB-CB 4.01Å; A148-L161 HydrophobicContact CB-CD1 4.28Å; E152-L161 HydrophobicContact CG-CB 4.16Å; E152-L161 HydrophobicContact CG-CD1 4.36Å; E152-L161 HydrophobicContact CG-CG 4.18Å; E152-L161 WeakPolarHBondContact OE1-CA 3.32Å; E152-L161 PolarHBondContact OE1-N 2.91Å; G159-L161 VanDerWaalsContact C-N 3.29Å; G159-L161 PolarHBondContact O-N 2.91Å; L161-E163 PolarHBondContact O-N 2.81Å; L161-F164 HydrophobicContact CB-CD2 3.9Å; L161-F164 HydrophobicContact CB-CE2 4.4Å; L161-F164 HydrophobicContact CD2-CD2 4.39Å; L161-F164 HydrophobicContact CD2-CE2 4.03Å; L161-F164 PolarHBondContact O-N 3.47Å
162Q98.1Very high96.9Very high72 Ų7258.8 Ų58.834%0.33634%0.342SS..Hα-helixtrans-57.5-32.5-179.1-176.158.739.400113.6G159 F164 F165 D166G159-Q162 WeakPolarHBondContact O-CB 3.43Å; G159-Q162 PolarHBondContact O-N 3.41Å; Q162-F164 PolarHBondContact O-N 3.43Å; Q162-F165 WeakPolarHBondContact O-CB 3.29Å; Q162-F165 PolarHBondContact O-N 3.43Å; Q162-D166 PolarHBondContact NE2-OD1 2.92Å; Q162-D166 PolarHBondContact O-N 2.95Å
163E97.6Very high96.9Very high112 Ų11265 Ų6552%0.52337%0.371SS..Hα-helixtrans-57.6-31.5179.260.9173.5-156.200113.3N35 L161 D166 S167N35-E163 PolarHBondContact ND2-OE1 3.33Å; N35-E163 PolarHBondContact OD1-OE1 3.2Å; L161-E163 PolarHBondContact O-N 2.81Å; E163-D166 PolarHBondContact O-N 2.98Å; E163-S167 WeakPolarHBondContact O-CB 3.48Å; E163-S167 PolarHBondContact O-N 2.83Å
164F98Very high96.9Very high21 Ų2161 Ų619%0.09235%0.352CS..Hα-helixtrans-67.2-44.2176.1-67.8-92.2000110.9W32 N35 M144 I145 A148 L161 Q162 S167W32-F164 HydrophobicContact CE3-CD1 4.46Å; W32-F164 AromaticContact CE3-CE1 3.85Å; W32-F164 HydrophobicContact CE3-CE1 3.85Å; W32-F164 HydrophobicContact CE3-CE2 4.06Å; W32-F164 AromaticContact CE3-CZ 3.63Å; W32-F164 HydrophobicContact CE3-CZ 3.63Å; W32-F164 AromaticContact CH2-CD1 3.58Å; W32-F164 HydrophobicContact CH2-CD1 3.58Å; W32-F164 HydrophobicContact CH2-CD2 4.47Å; W32-F164 AromaticContact CH2-CE1 3.71Å; W32-F164 HydrophobicContact CH2-CE1 3.71Å; W32-F164 AromaticContact CH2-CG 3.99Å; W32-F164 HydrophobicContact CH2-CG 3.99Å; W32-F164 HydrophobicContact CH2-CZ 4.24Å; W32-F164 AromaticContact CZ3-CD1 3.53Å; W32-F164 HydrophobicContact CZ3-CD1 3.53Å; W32-F164 AromaticContact CZ3-CD2 3.77Å; W32-F164 HydrophobicContact CZ3-CD2 3.77Å; W32-F164 AromaticContact CZ3-CE1 3.35Å; W32-F164 HydrophobicContact CZ3-CE1 3.35Å; W32-F164 AromaticContact CZ3-CE2 3.61Å; W32-F164 HydrophobicContact CZ3-CE2 3.61Å; W32-F164 AromaticContact CZ3-CG 3.73Å; W32-F164 HydrophobicContact CZ3-CG 3.73Å; W32-F164 AromaticContact CZ3-CZ 3.4Å; W32-F164 HydrophobicContact CZ3-CZ 3.4Å; N35-F164 HydrophobicContact CB-CE2 4.49Å; N35-F164 WeakPolarHBondContact ND2-CE2 3.29Å; N35-F164 WeakPolarHBondContact ND2-CZ 3.44Å; M144-F164 HydrophobicContact CE-CB 4.4Å; M144-F164 HydrophobicContact CE-CD1 4.25Å; M144-F164 HydrophobicContact CG-CD1 3.9Å; M144-F164 HydrophobicContact SD-CD1 3.82Å; M144-F164 HydrophobicContact SD-CE1 4.47Å; I145-F164 HydrophobicContact CG2-CB 4.49Å; A148-F164 HydrophobicContact CB-CB 4.12Å; A148-F164 HydrophobicContact CB-CG 4.45Å; L161-F164 HydrophobicContact CB-CD2 3.9Å; L161-F164 HydrophobicContact CB-CE2 4.4Å; L161-F164 HydrophobicContact CD2-CD2 4.39Å; L161-F164 HydrophobicContact CD2-CE2 4.03Å; L161-F164 PolarHBondContact O-N 3.47Å; Q162-F164 PolarHBondContact O-N 3.43Å; F164-S167 PolarHBondContact O-N 3.23Å; F164-S167 PolarHBondContact O-OG 3.49Å
165F98.4Very high96.9Very high11 Ų1158.1 Ų58.15%0.04834%0.342CS..Hα-helixtrans-61.4-48174.2-75-97.4000111.1I145 A148 H149 Q162 S167 T168 L184I145-F165 HydrophobicContact CB-CD1 4.15Å; I145-F165 HydrophobicContact CB-CD2 4.47Å; I145-F165 HydrophobicContact CB-CE1 3.91Å; I145-F165 HydrophobicContact CB-CE2 4.24Å; I145-F165 HydrophobicContact CB-CG 4.42Å; I145-F165 HydrophobicContact CB-CZ 3.93Å; I145-F165 HydrophobicContact CD1-CD1 4.34Å; I145-F165 HydrophobicContact CD1-CE1 4.26Å; I145-F165 HydrophobicContact CG1-CE1 4.45Å; I145-F165 HydrophobicContact CG2-CD1 4.39Å; I145-F165 HydrophobicContact CG2-CD2 4.48Å; I145-F165 HydrophobicContact CG2-CG 4.31Å; I145-F165 WeakPolarHBondContact O-CZ 3.38Å; A148-F165 HydrophobicContact CB-CD2 4.47Å; A148-F165 HydrophobicContact CB-CE2 3.86Å; H149-F165 HydrophobicContact CB-CZ 4.25Å; Q162-F165 WeakPolarHBondContact O-CB 3.29Å; Q162-F165 PolarHBondContact O-N 3.43Å; F165-S167 VanDerWaalsContact C-N 3.26Å; F165-S167 PolarHBondContact O-N 3.24Å; F165-T168 PolarHBondContact O-N 3.14Å; F165-T168 PolarHBondContact O-OG1 3.03Å; F165-L184 HydrophobicContact CE1-CD2 4.07Å; F165-L184 HydrophobicContact CE1-CG 4.42Å; F165-L184 HydrophobicContact CZ-CD2 4.33Å
166D98Very high96.8Very high99 Ų9957.9 Ų57.953%0.52934%0.342SS..Hα-helixtrans-60.2-36.9-179.9-63.2-14.2000111.6Q162 E163 T168 A169Q162-D166 PolarHBondContact NE2-OD1 2.92Å; Q162-D166 PolarHBondContact O-N 2.95Å; E163-D166 PolarHBondContact O-N 2.98Å; D166-T168 PolarHBondContact O-N 3.31Å; D166-T168 VanDerWaalsContact O-N 3.15Å; D166-A169 WeakPolarHBondContact O-CB 3.36Å; D166-A169 PolarHBondContact O-N 3.43Å
167S96.9Very high96.9Very high54 Ų5455.7 Ų55.738%0.37832%0.319SS..THydrogen-bonded Turntrans-64.9-14176.484.80000115.1E163 F164 F165 R171E163-S167 WeakPolarHBondContact O-CB 3.48Å; E163-S167 PolarHBondContact O-N 2.83Å; F164-S167 PolarHBondContact O-N 3.23Å; F164-S167 PolarHBondContact O-OG 3.49Å; F165-S167 VanDerWaalsContact C-N 3.26Å; F165-S167 PolarHBondContact O-N 3.24Å; S167-R171 WeakPolarHBondContact O-CD 3.45Å; S167-R171 PolarHBondContact O-NH1 2.88Å
168T97.8Very high97.1Very high8 Ų857.2 Ų57.25%0.04933%0.325CS..THydrogen-bonded Turntrans-99.1-6.2178.467.90000114.1L141 M144 I145 F165 D166 G170 R171 F172L141-T168 HydrophobicContact CB-CG2 4.08Å; L141-T168 HydrophobicContact CD2-CG2 4.39Å; M144-T168 HydrophobicContact CE-CG2 3.83Å; I145-T168 HydrophobicContact CG2-CG2 3.59Å; F165-T168 PolarHBondContact O-N 3.14Å; F165-T168 PolarHBondContact O-OG1 3.03Å; D166-T168 PolarHBondContact O-N 3.31Å; D166-T168 VanDerWaalsContact O-N 3.15Å; T168-G170 PolarHBondContact O-N 3.4Å; T168-R171 WeakPolarHBondContact O-CB 3.34Å; T168-R171 PolarHBondContact O-N 3.34Å; T168-F172 HydrophobicContact CG2-CE2 4.24Å; T168-F172 HydrophobicContact CG2-CZ 4.04Å; T168-F172 WeakPolarHBondContact OG1-CE2 3.42Å
169A95.3Very high97.1Very high78 Ų7860.8 Ų60.865%0.64534%0.338SS*.THydrogen-bonded Turntrans-55123.8-176.400000112.3D166 R171D166-A169 WeakPolarHBondContact O-CB 3.36Å; D166-A169 PolarHBondContact O-N 3.43Å; A169-R171 VanDerWaalsContact C-N 3.29Å; A169-R171 PolarHBondContact O-N 3.05Å
170G96.6Very high97.3Very high71 Ų7163.1 Ų63.173%0.73234%0.341SS*.THydrogen-bonded Turntrans71.812.3-179.900000115.8T168 H173T168-G170 PolarHBondContact O-N 3.4Å; G170-H173 PolarHBondContact O-CE1 2.93Å
171R97.8Very high97.3Very high109 Ų10959.8 Ų59.841%0.41133%0.33SS..  trans-100-12.9-178.4-60.3175.867.2-166.8-0.9114L141 S167 T168 A169 H173L141-R171 HydrophobicContact CD1-CB 3.79Å; S167-R171 WeakPolarHBondContact O-CD 3.45Å; S167-R171 PolarHBondContact O-NH1 2.88Å; T168-R171 WeakPolarHBondContact O-CB 3.34Å; T168-R171 PolarHBondContact O-N 3.34Å; A169-R171 VanDerWaalsContact C-N 3.29Å; A169-R171 PolarHBondContact O-N 3.05Å; R171-H173 PolarHBondContact O-CE1 3.29Å; R171-H173 PolarHBondContact O-ND1 3.49Å
172F98.3Very high97.3Very high21 Ų2162.5 Ų62.59%0.09235%0.349CS..  trans-91.8136.4174.9-56-64.4000111.6Q138 L141 L142 I145 T168 V177 L178 V181Q138-F172 HydrophobicContact CB-CD1 4.27Å; Q138-F172 HydrophobicContact CG-CD1 4.4Å; L141-F172 HydrophobicContact CB-CE1 3.72Å; L141-F172 HydrophobicContact CB-CZ 3.91Å; L142-F172 HydrophobicContact CB-CE1 4Å; L142-F172 HydrophobicContact CB-CZ 4.37Å; I145-F172 HydrophobicContact CD1-CE2 3.93Å; I145-F172 HydrophobicContact CD1-CZ 3.85Å; T168-F172 HydrophobicContact CG2-CE2 4.24Å; T168-F172 HydrophobicContact CG2-CZ 4.04Å; T168-F172 WeakPolarHBondContact OG1-CE2 3.42Å; F172-V177 HydrophobicContact CB-CG1 4.37Å; F172-V177 HydrophobicContact CD1-CG1 3.45Å; F172-V177 VanDerWaalsContact CD1-CG1 3.45Å; F172-V177 HydrophobicContact CE1-CG1 3.99Å; F172-V177 HydrophobicContact CG-CG1 4.15Å; F172-L178 HydrophobicContact CB-CD2 3.75Å; F172-L178 HydrophobicContact CB-CG 4.38Å; F172-V181 HydrophobicContact CD1-CG2 4.13Å; F172-V181 HydrophobicContact CD2-CB 4.41Å; F172-V181 HydrophobicContact CD2-CG1 4.06Å; F172-V181 HydrophobicContact CD2-CG2 3.64Å; F172-V181 HydrophobicContact CE1-CG2 4.11Å; F172-V181 HydrophobicContact CE2-CG1 4.11Å; F172-V181 HydrophobicContact CE2-CG2 3.61Å; F172-V181 HydrophobicContact CG-CG2 3.89Å; F172-V181 HydrophobicContact CZ-CG2 3.85Å
173H96.3Very high97.3Very high135 Ų13561.6 Ų61.663%0.62535%0.351SS*.  trans-142.1-29.3-171.4-60.688.6000112.7G170 R171G170-H173 PolarHBondContact O-CE1 2.93Å; R171-H173 PolarHBondContact O-CE1 3.29Å; R171-H173 PolarHBondContact O-ND1 3.49Å
174H97.4Very high97.3Very high21 Ų2157.1 Ų57.110%0.09733%0.33CS..SBendtrans-72.2132.8179.9-171.4-77.9000110.9D59 L135 D176 V177 L178D59-H174 IonicContact OD2-CE1 2.82Å; D59-H174 IonicContact OD2-NE2 3.84Å; D59-H174 PolarHBondContact OD2-NE2 3.11Å; D59-H174 VanDerWaalsContact OD2-NE2 3.1Å; L135-H174 HydrophobicContact CD1-CB 4.38Å; H174-D176 IonicContact CE1-OD2 2.78Å; H174-D176 PolarHBondContact ND1-N 3.17Å; H174-D176 PolarHBondContact O-N 3.46Å; H174-V177 HydrophobicContact CB-CB 4.11Å; H174-V177 HydrophobicContact CB-CG2 3.87Å; H174-V177 PolarHBondContact O-N 3.39Å; H174-V177 VanDerWaalsContact O-N 3.14Å; H174-L178 WeakPolarHBondContact O-CG 3.42Å; H174-L178 PolarHBondContact O-N 3.39Å
175P96Very high97.3Very high80 Ų8059.5 Ų59.552%0.51934%0.344SS..Hα-helixtrans-54-47.3-175.4-28.635.8000114.4V177 L178 Q179P175-V177 PolarHBondContact O-N 2.93Å; P175-L178 PolarHBondContact O-N 3Å; P175-Q179 WeakPolarHBondContact O-CG 3.48Å; P175-Q179 PolarHBondContact O-N 2.9Å; P175-Q179 VanDerWaalsContact O-N 3.11Å
176D94.9Very high97.2Very high51 Ų5164.9 Ų64.927%0.27337%0.369SS..Hα-helixtrans-66.3-38.5-179.5-58.2-6.8000111.9H174 Q179 L180H174-D176 IonicContact CE1-OD2 2.78Å; H174-D176 PolarHBondContact ND1-N 3.17Å; H174-D176 PolarHBondContact O-N 3.46Å; D176-Q179 PolarHBondContact O-N 3.44Å; D176-L180 WeakPolarHBondContact O-CG 3.23Å; D176-L180 PolarHBondContact O-N 3.48Å
177V97.6Very high97.1Very high0 Ų065.7 Ų65.70%037%0.37CS..Hα-helixtrans-66.4-41.9177.11800000110.3L135 Q138 F139 L142 F172 H174 P175 Q179 L180 V181L135-V177 HydrophobicContact CD1-CG2 4.13Å; Q138-V177 HydrophobicContact CB-CG1 4.25Å; Q138-V177 HydrophobicContact CB-CG2 4.33Å; F139-V177 HydrophobicContact CD1-CG2 4.11Å; F139-V177 HydrophobicContact CE1-CG2 3.83Å; L142-V177 HydrophobicContact CB-CG1 4.37Å; L142-V177 HydrophobicContact CD2-CG1 4.09Å; F172-V177 HydrophobicContact CB-CG1 4.37Å; F172-V177 HydrophobicContact CD1-CG1 3.45Å; F172-V177 VanDerWaalsContact CD1-CG1 3.45Å; F172-V177 HydrophobicContact CE1-CG1 3.99Å; F172-V177 HydrophobicContact CG-CG1 4.15Å; H174-V177 HydrophobicContact CB-CB 4.11Å; H174-V177 HydrophobicContact CB-CG2 3.87Å; H174-V177 PolarHBondContact O-N 3.39Å; H174-V177 VanDerWaalsContact O-N 3.14Å; P175-V177 PolarHBondContact O-N 2.93Å; V177-Q179 VanDerWaalsContact C-N 3.3Å; V177-Q179 PolarHBondContact O-N 2.84Å; V177-L180 PolarHBondContact O-N 2.9Å; V177-V181 HydrophobicContact CG1-CG2 4.16Å; V177-V181 WeakPolarHBondContact O-CB 3.1Å; V177-V181 WeakPolarHBondContact O-CG2 3.41Å; V177-V181 PolarHBondContact O-N 3.13Å
178L98Very high97Very high82 Ų8264.3 Ų64.343%0.42936%0.356SS..Hα-helixtrans-60.4-38.7175.9-73.1167.1000112.3F172 H174 P175 V181 S182F172-L178 HydrophobicContact CB-CD2 3.75Å; F172-L178 HydrophobicContact CB-CG 4.38Å; H174-L178 WeakPolarHBondContact O-CG 3.42Å; H174-L178 PolarHBondContact O-N 3.39Å; P175-L178 PolarHBondContact O-N 3Å; L178-V181 PolarHBondContact O-N 2.98Å; L178-S182 PolarHBondContact O-N 3.16Å
179Q97Very high96.8Very high125 Ų12565.6 Ų65.658%0.58437%0.372SS*.Hα-helixtrans-66.5-42174.7-71.6175.465.600112.2P175 D176 V177 S182 S183P175-Q179 WeakPolarHBondContact O-CG 3.48Å; P175-Q179 PolarHBondContact O-N 2.9Å; P175-Q179 VanDerWaalsContact O-N 3.11Å; D176-Q179 PolarHBondContact O-N 3.44Å; V177-Q179 VanDerWaalsContact C-N 3.3Å; V177-Q179 PolarHBondContact O-N 2.84Å; Q179-S182 PolarHBondContact O-N 3.18Å; Q179-S183 WeakPolarHBondContact O-CB 3.43Å; Q179-S183 PolarHBondContact O-N 2.84Å; Q179-S183 PolarHBondContact O-OG 3.39Å
180L97.4Very high96.5Very high88 Ų8864.7 Ų64.746%0.46136%0.36SS..Hα-helixtrans-63.2-43.3174.9-69.3170.2000111.6L142 D176 V177 S183 L184L142-L180 HydrophobicContact CD1-CB 4.48Å; L142-L180 HydrophobicContact CD2-CB 3.76Å; L142-L180 HydrophobicContact CD2-CD1 3.76Å; L142-L180 HydrophobicContact CD2-CG 4.42Å; D176-L180 WeakPolarHBondContact O-CG 3.23Å; D176-L180 PolarHBondContact O-N 3.48Å; V177-L180 PolarHBondContact O-N 2.9Å; L180-S183 PolarHBondContact O-N 2.93Å; L180-L184 WeakPolarHBondContact O-CB 3.34Å; L180-L184 PolarHBondContact O-N 3.04Å
181V98.2Very high95.7Very high17 Ų1763 Ų6310%0.10334%0.337CS..Hα-helixtrans-63.5-41.5176.4173.10000111.7L142 I145 F172 V177 L178 L184 N185L142-V181 HydrophobicContact CD1-CG2 3.84Å; I145-V181 HydrophobicContact CD1-CG2 4.39Å; F172-V181 HydrophobicContact CD1-CG2 4.13Å; F172-V181 HydrophobicContact CD2-CB 4.41Å; F172-V181 HydrophobicContact CD2-CG1 4.06Å; F172-V181 HydrophobicContact CD2-CG2 3.64Å; F172-V181 HydrophobicContact CE1-CG2 4.11Å; F172-V181 HydrophobicContact CE2-CG1 4.11Å; F172-V181 HydrophobicContact CE2-CG2 3.61Å; F172-V181 HydrophobicContact CG-CG2 3.89Å; F172-V181 HydrophobicContact CZ-CG2 3.85Å; V177-V181 HydrophobicContact CG1-CG2 4.16Å; V177-V181 WeakPolarHBondContact O-CB 3.1Å; V177-V181 WeakPolarHBondContact O-CG2 3.41Å; V177-V181 PolarHBondContact O-N 3.13Å; L178-V181 PolarHBondContact O-N 2.98Å; V181-L184 PolarHBondContact O-N 3.19Å; V181-N185 WeakPolarHBondContact CG1-ND2 3.41Å; V181-N185 WeakPolarHBondContact O-CB 3.48Å; V181-N185 PolarHBondContact O-N 3.31Å; V181-N185 PolarHBondContact O-ND2 2.91Å
182S97.9Very high94.7Very high57 Ų5759.2 Ų59.240%0.39933%0.329SS..Hα-helixtrans-60.2-50.7173.4-162.70000110.8L178 Q179 L184 N185 E186L178-S182 PolarHBondContact O-N 3.16Å; Q179-S182 PolarHBondContact O-N 3.18Å; S182-L184 VanDerWaalsContact C-N 3.3Å; S182-L184 PolarHBondContact O-N 2.91Å; S182-N185 PolarHBondContact O-N 3.07Å; S182-N185 VanDerWaalsContact O-N 3.15Å; S182-E186 WeakPolarHBondContact O-CG 3.45Å; S182-E186 PolarHBondContact O-N 2.55Å; S182-E186 PolarHBondContact OG-OE1 3.33Å
183S97.9Very high93.8Very high54 Ų5464.7 Ų64.738%0.37835%0.353SS..Hα-helixtrans-58.6-40.1-179.3-55.30000112.4Q179 L180 Q187Q179-S183 WeakPolarHBondContact O-CB 3.43Å; Q179-S183 PolarHBondContact O-N 2.84Å; Q179-S183 PolarHBondContact O-OG 3.39Å; L180-S183 PolarHBondContact O-N 2.93Å; S183-Q187 VanDerWaalsContact O-CG 3.29Å; S183-Q187 WeakPolarHBondContact O-CG 3.35Å; S183-Q187 PolarHBondContact O-N 2.74Å; S183-Q187 VanDerWaalsContact O-N 3.16Å; S183-Q187 PolarHBondContact O-NE2 3.08Å; S183-Q187 VanDerWaalsContact O-NE2 3.13Å
184L98.1Very high92.9Very high17 Ų1765 Ų659%0.08935%0.353CS..Hα-helixtrans-65.8-45.9176.1179.567.9000111.9L142 I145 M146 H149 F165 L180 V181 S182 E186 Q187 R188L142-L184 HydrophobicContact CD1-CD2 4.29Å; I145-L184 HydrophobicContact CB-CD2 4.3Å; I145-L184 HydrophobicContact CD1-CD2 3.85Å; I145-L184 HydrophobicContact CG1-CD2 3.67Å; M146-L184 HydrophobicContact CG-CD1 4.13Å; M146-L184 HydrophobicContact CG-CD2 3.82Å; H149-L184 HydrophobicContact CB-CD1 4.15Å; F165-L184 HydrophobicContact CE1-CD2 4.07Å; F165-L184 HydrophobicContact CE1-CG 4.42Å; F165-L184 HydrophobicContact CZ-CD2 4.33Å; L180-L184 WeakPolarHBondContact O-CB 3.34Å; L180-L184 PolarHBondContact O-N 3.04Å; V181-L184 PolarHBondContact O-N 3.19Å; S182-L184 VanDerWaalsContact C-N 3.3Å; S182-L184 PolarHBondContact O-N 2.91Å; L184-E186 VanDerWaalsContact C-N 3.34Å; L184-E186 PolarHBondContact O-N 3.38Å; L184-Q187 PolarHBondContact O-N 3.01Å; L184-R188 WeakPolarHBondContact O-CB 3.42Å; L184-R188 PolarHBondContact O-N 3.35Å
185N97.1Very high91.8Very high72 Ų7266.7 Ų66.739%0.38536%0.362SS..Hα-helixtrans-65.6-36.6179.8-76.6-49000112.3V181 S182 G189V181-N185 WeakPolarHBondContact CG1-ND2 3.41Å; V181-N185 WeakPolarHBondContact O-CB 3.48Å; V181-N185 PolarHBondContact O-N 3.31Å; V181-N185 PolarHBondContact O-ND2 2.91Å; S182-N185 PolarHBondContact O-N 3.07Å; S182-N185 VanDerWaalsContact O-N 3.15Å; N185-G189 PolarHBondContact O-N 2.82Å
186E96.9Very high90.7Very high124 Ų12470.1 Ų70.158%0.57937%0.369SS*.Hα-helixtrans-64.9-42.1174.1-73.1168.3-138.200112.2S182 L184 S190S182-E186 WeakPolarHBondContact O-CG 3.45Å; S182-E186 PolarHBondContact O-N 2.55Å; S182-E186 PolarHBondContact OG-OE1 3.33Å; L184-E186 VanDerWaalsContact C-N 3.34Å; L184-E186 PolarHBondContact O-N 3.38Å; E186-S190 WeakPolarHBondContact O-CB 3.41Å; E186-S190 PolarHBondContact O-N 2.69Å; E186-S190 VanDerWaalsContact O-N 3.1Å; E186-S190 PolarHBondContact O-OG 2.96Å
187Q95.5Very high89.7Confident116 Ų11673.5 Ų73.554%0.54238%0.383SS..Hα-helixtrans-63.7-53.7175-73.917058.600111.1S183 L184 G189 S190 S191S183-Q187 VanDerWaalsContact O-CG 3.29Å; S183-Q187 WeakPolarHBondContact O-CG 3.35Å; S183-Q187 PolarHBondContact O-N 2.74Å; S183-Q187 VanDerWaalsContact O-N 3.16Å; S183-Q187 PolarHBondContact O-NE2 3.08Å; S183-Q187 VanDerWaalsContact O-NE2 3.13Å; L184-Q187 PolarHBondContact O-N 3.01Å; Q187-G189 VanDerWaalsContact C-N 3.33Å; Q187-G189 PolarHBondContact O-N 3.32Å; Q187-S190 WeakPolarHBondContact O-CA 3.36Å; Q187-S190 WeakPolarHBondContact O-CB 3.21Å; Q187-S190 PolarHBondContact O-N 3.37Å; Q187-S191 PolarHBondContact O-N 2.94Å
188R95.8Very high88.4Confident24 Ų2476.8 Ų76.89%0.09141%0.406CS..Hα-helixtrans-58.4-43.1179.3-174.8168.4172.5-101.44.2112.7H149 E152 L184 S190 S191 A192H149-R188 WeakPolarHBondContact NE2-CA 3.41Å; H149-R188 PolarHBondContact NE2-N 2.64Å; E152-R188 IonicContact OE1-CZ 3.37Å; E152-R188 IonicContact OE1-NE 2.86Å; E152-R188 IonicContact OE1-NH2 2.74Å; E152-R188 PolarHBondContact OE1-NH2 3.05Å; E152-R188 IonicContact OE2-CZ 3.1Å; E152-R188 IonicContact OE2-NE 3.59Å; E152-R188 PolarHBondContact OE2-NE 3.1Å; E152-R188 IonicContact OE2-NH2 3.73Å; E152-R188 PolarHBondContact OE2-NH2 2.77Å; L184-R188 WeakPolarHBondContact O-CB 3.42Å; L184-R188 PolarHBondContact O-N 3.35Å; R188-S190 PolarHBondContact O-N 2.96Å; R188-S191 PolarHBondContact O-N 2.84Å; R188-A192 WeakPolarHBondContact O-CB 3.37Å; R188-A192 PolarHBondContact O-N 3.25Å; R188-A192 VanDerWaalsContact O-N 3.07Å
189G92.6Very high86.7Confident36 Ų3679.3 Ų79.337%0.37142%0.416SS..Hα-helixtrans-64.2-27174.500000113.9N185 Q187 K193N185-G189 PolarHBondContact O-N 2.82Å; Q187-G189 VanDerWaalsContact C-N 3.33Å; Q187-G189 PolarHBondContact O-N 3.32Å; G189-K193 WeakPolarHBondContact O-CG 3.35Å
190S88.2Confident85Confident58 Ų5878.9 Ų78.941%0.40642%0.422SS..Hα-helixtrans-80.5-42.8176.2-60.20000112.3E186 Q187 R188 A192 K193 K194E186-S190 WeakPolarHBondContact O-CB 3.41Å; E186-S190 PolarHBondContact O-N 2.69Å; E186-S190 VanDerWaalsContact O-N 3.1Å; E186-S190 PolarHBondContact O-OG 2.96Å; Q187-S190 WeakPolarHBondContact O-CA 3.36Å; Q187-S190 WeakPolarHBondContact O-CB 3.21Å; Q187-S190 PolarHBondContact O-N 3.37Å; R188-S190 PolarHBondContact O-N 2.96Å; S190-A192 VanDerWaalsContact C-N 3.3Å; S190-A192 PolarHBondContact O-N 2.92Å; S190-K193 PolarHBondContact O-N 3.29Å; S190-K194 PolarHBondContact O-N 3.43Å
191S79.9Confident83.1Confident35 Ų3581.5 Ų81.525%0.24544%0.437CS..Hα-helixtrans-59.9-40.8173.7-66.60000111.4E153 Q187 R188 K193 K194 L195E153-S191 WeakPolarHBondContact OE1-CB 3.5Å; E153-S191 PolarHBondContact OE1-OG 3.21Å; Q187-S191 PolarHBondContact O-N 2.94Å; R188-S191 PolarHBondContact O-N 2.84Å; S191-K193 VanDerWaalsContact C-N 3.31Å; S191-K193 PolarHBondContact O-N 2.95Å; S191-K194 PolarHBondContact O-N 3.28Å; S191-L195 PolarHBondContact O-N 2.89Å
192A77.3Confident80.7Confident30 Ų3085.4 Ų85.425%0.24846%0.463CS..Hα-helixtrans-64.6-26.9176.200000114.6P158 R188 S190 K196P158-A192 HydrophobicContact CB-CB 4.05Å; R188-A192 WeakPolarHBondContact O-CB 3.37Å; R188-A192 PolarHBondContact O-N 3.25Å; R188-A192 VanDerWaalsContact O-N 3.07Å; S190-A192 VanDerWaalsContact C-N 3.3Å; S190-A192 PolarHBondContact O-N 2.92Å; A192-K196 WeakPolarHBondContact O-CG 3.3Å
193K79.2Confident78.5Confident137 Ų13788.4 Ų88.460%0.59648%0.481SS*.Hα-helixtrans-77-49.5174.8-73.6171.8-176.6175.30111.4G189 S190 S191 L195 K196 E197G189-K193 WeakPolarHBondContact O-CG 3.35Å; S190-K193 PolarHBondContact O-N 3.29Å; S191-K193 VanDerWaalsContact C-N 3.31Å; S191-K193 PolarHBondContact O-N 2.95Å; K193-L195 VanDerWaalsContact C-N 3.25Å; K193-L195 PolarHBondContact O-N 3.44Å; K193-K196 WeakPolarHBondContact O-CB 3.29Å; K193-K196 PolarHBondContact O-N 2.86Å; K193-E197 PolarHBondContact O-N 3.4Å
194K77.9Confident76.3Confident140 Ų14094.2 Ų94.261%0.60950%0.503SS*.Hα-helixtrans-55.4-38.7-179.4-70.5175.3-179.7174.10112.8S190 S191 E197 S198S190-K194 PolarHBondContact O-N 3.43Å; S191-K194 PolarHBondContact O-N 3.28Å; K194-E197 PolarHBondContact O-N 3.23Å; K194-S198 PolarHBondContact O-N 3.24Å; K194-S198 PolarHBondContact O-OG 3.12Å
195L74.8Confident74Confident57 Ų5798.4 Ų98.430%0.29853%0.531SS..Hα-helixtrans-71.1-30.5178.5-164.870.6000113.1P158 S191 K193 S198 Q199P158-L195 HydrophobicContact CG-CB 4.38Å; P158-L195 HydrophobicContact CG-CD2 3.48Å; P158-L195 VanDerWaalsContact CG-CD2 3.48Å; S191-L195 PolarHBondContact O-N 2.89Å; K193-L195 VanDerWaalsContact C-N 3.25Å; K193-L195 PolarHBondContact O-N 3.44Å; L195-S198 PolarHBondContact O-OG 3.03Å; L195-Q199 VanDerWaalsContact O-CG 3.27Å; L195-Q199 WeakPolarHBondContact O-CG 3.38Å; L195-Q199 PolarHBondContact O-N 2.96Å
196K73.5Confident72.1Confident152 Ų152104.6 Ų104.666%0.66156%0.557SS**Hα-helixtrans-70.3-42.9173.8-70.7177.9179.6-177.80110.9A192 K193 Q199 T200A192-K196 WeakPolarHBondContact O-CG 3.3Å; K193-K196 WeakPolarHBondContact O-CB 3.29Å; K193-K196 PolarHBondContact O-N 2.86Å; K196-Q199 PolarHBondContact O-N 2.88Å; K196-T200 PolarHBondContact O-N 3Å; K196-T200 PolarHBondContact O-OG1 3.19Å
197E73.3Confident70.1Confident122 Ų122110.7 Ų110.757%0.5759%0.585SS**Hα-helixtrans-61.5-43.6177.4-69.3164.6178.500111.6K193 K194 Q199 T200K193-E197 PolarHBondContact O-N 3.4Å; K194-E197 PolarHBondContact O-N 3.23Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; E197-Q199 PolarHBondContact O-N 3.36Å; E197-T200 WeakPolarHBondContact CA-OG1 3.3Å; E197-T200 PolarHBondContact O-N 3.16Å; E197-T200 PolarHBondContact O-OG1 2.73Å
198S69.8Low68.8Low70 Ų70110.4 Ų110.449%0.4959%0.587SS.*Hα-helixtrans-71.2-23.8178.366.60000114.6K194 L195K194-S198 PolarHBondContact O-N 3.24Å; K194-S198 PolarHBondContact O-OG 3.12Å; L195-S198 PolarHBondContact O-OG 3.03Å
199Q63.6Low67.4Low134 Ų134114.9 Ų114.963%0.62661%0.613SS**Hα-helixtrans-79.8-25.4173.8-73.3175.71100112.9L195 K196 E197L195-Q199 VanDerWaalsContact O-CG 3.27Å; L195-Q199 WeakPolarHBondContact O-CG 3.38Å; L195-Q199 PolarHBondContact O-N 2.96Å; K196-Q199 PolarHBondContact O-N 2.88Å; E197-Q199 VanDerWaalsContact C-N 3.34Å; E197-Q199 PolarHBondContact O-N 3.36Å
200T60.7Low66Low117 Ų117119.3 Ų119.372%0.71863%0.627SS**Hα-helixtrans-79.6-14.1176.143.80000114.5K196 E197K196-T200 PolarHBondContact O-N 3Å; K196-T200 PolarHBondContact O-OG1 3.19Å; E197-T200 WeakPolarHBondContact CA-OG1 3.3Å; E197-T200 PolarHBondContact O-N 3.16Å; E197-T200 PolarHBondContact O-OG1 2.73Å
201D57.4Low64.7Low143 Ų143122.9 Ų122.977%0.76564%0.64SS**THydrogen-bonded Turntrans-95.69.6-173.2-127.413.2000113.8P203D201-P203 VanDerWaalsContact O-CD 3.3Å; D201-P203 WeakPolarHBondContact O-CD 3.32Å
202C46.6Very low63.7Low99 Ų99128.4 Ų128.467%0.66967%0.665SS**  trans-78.7113.8169.9-740000110.3
203P52.4Low62.8Low119 Ų119135 Ų13577%0.77369%0.692SS**  trans-66.9140176.726.8-32.2000110.6D201D201-P203 VanDerWaalsContact O-CD 3.3Å; D201-P203 WeakPolarHBondContact O-CD 3.32Å
204E51.2Low61.6Low177 Ų177134.9 Ų134.983%0.82770%0.699SS**  trans-54.2137.3173.3-69.3-176.2140.600110.5Q206E204-Q206 PolarHBondContact O-N 2.79Å
205P51.6Low60.4Low104 Ų104134.5 Ų134.568%0.67571%0.706SS**  trans-63.7113.4173.126.9-32.7000108.9H207P205-H207 PolarHBondContact O-N 3.36Å; P205-H207 VanDerWaalsContact O-N 3.14Å
206Q55.3Low59.2Low202 Ų202140.9 Ų140.994%0.94474%0.74SS**  trans-64114.6175.7-66.2179.8-5.700109.1E204E204-Q206 PolarHBondContact O-N 2.79Å
207H55Low57.9Low252 Ų252139.9 Ų139.9100%1.16775%0.748SS**  trans-84.30174.2-82.6-60.7000112P205P205-H207 PolarHBondContact O-N 3.36Å; P205-H207 VanDerWaalsContact O-N 3.14Å

Retrieved 207 of 207 residues in 40.8 ms (Link to these results)

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